#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1grw s VAL 4 N 0.00 1.88 0.84 -3.33 -7.23 -1.26 -5.11 120.40 106.18 1grw s VAL 4 Ca 0.00 -1.37 -0.13 0.00 -1.81 0.00 0.00 61.98 58.67 1grw s VAL 4 Cb 0.00 -1.64 0.07 0.00 0.56 0.00 0.00 36.38 35.38 1grw s VAL 4 CO 0.00 0.20 1.02 -2.65 -0.31 0.00 0.00 175.10 173.36 1grw n PRO 5 N 1.61 0.03 -2.37 4.82 -0.02 -1.26 -4.89 135.00 132.92 1grw n PRO 5 Ca -0.18 0.08 -0.36 0.00 -2.02 0.00 0.00 63.50 61.03 1grw n PRO 5 Cb 0.53 -2.29 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 1grw n PRO 5 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1grw s PRO 6 N -3.98 3.75 0.74 0.52 0.02 -1.26 -4.93 135.00 129.85 1grw s PRO 6 Ca 0.69 1.60 -0.12 0.00 0.02 0.00 0.00 61.00 63.19 1grw s PRO 6 Cb -0.28 -2.27 0.17 0.00 0.02 0.00 0.00 34.50 32.14 1grw s PRO 6 CO 0.55 -0.52 0.92 0.41 -0.33 0.00 0.00 177.00 178.03 1grw n GLY 7 N 0.22 -1.64 3.93 0.52 0.00 -1.26 -5.01 105.19 101.95 1grw n GLY 7 Ca 0.08 -1.66 -0.25 0.00 0.00 0.00 0.00 46.02 44.20 1grw n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1grw s ASP 8 N -4.33 6.07 0.35 1.61 3.68 -1.26 -4.91 116.67 117.88 1grw s ASP 8 Ca 0.54 0.57 0.09 0.00 2.13 0.00 0.00 52.55 55.87 1grw s ASP 8 Cb -0.02 -1.91 -0.05 0.00 -1.45 0.00 0.00 42.92 39.48 1grw s ASP 8 CO 0.38 -0.58 0.04 0.27 0.13 0.00 0.00 175.17 175.41 1grw s ILE 9 N -2.58 2.63 -0.03 4.11 -4.36 -1.26 -3.06 121.20 116.64 1grw s ILE 9 Ca 0.46 -1.93 0.06 0.00 -0.26 0.00 0.00 60.65 58.98 1grw s ILE 9 Cb -0.10 -2.83 -0.02 0.00 1.25 0.00 0.00 42.46 40.75 1grw s ILE 9 CO 0.40 -0.18 -0.20 -1.10 0.24 0.00 0.00 174.94 174.10 1grw s GLN 10 N -3.74 2.31 0.24 0.37 -0.21 0.01 -4.90 119.66 113.73 1grw s GLN 10 Ca 0.35 -0.81 0.12 0.00 0.02 0.00 0.00 55.36 55.04 1grw s GLN 10 Cb 0.00 -2.22 -0.05 0.00 1.00 0.00 0.00 33.01 31.75 1grw s GLN 10 CO 0.20 0.59 -0.21 0.95 -2.12 0.00 0.00 175.29 174.70 1grw s THR 11 N -0.68 2.44 -0.12 -0.19 -4.23 -1.26 -0.01 115.64 111.59 1grw s THR 11 Ca 0.11 -2.22 -0.02 0.00 -1.18 0.00 0.00 61.69 58.39 1grw s THR 11 Cb -0.10 -2.23 0.04 0.00 1.34 0.00 0.00 72.50 71.55 1grw s THR 11 CO -0.00 -0.26 0.00 -1.10 -0.54 0.00 0.00 174.62 172.72 1grw s GLN 12 N -3.11 0.74 0.80 3.99 -0.21 -0.11 -2.00 119.66 119.77 1grw s GLN 12 Ca 0.26 -0.14 -0.12 0.00 0.02 0.00 0.00 55.36 55.38 1grw s GLN 12 Cb -0.06 -1.47 0.08 0.00 1.00 0.00 0.00 33.01 32.55 1grw s GLN 12 CO 0.13 -0.42 1.13 -1.25 -2.12 0.00 0.00 175.29 172.76 1grw s PRO 13 N 1.89 1.87 0.12 2.91 0.04 -1.26 -0.63 135.00 139.94 1grw s PRO 13 Ca 0.03 1.44 0.25 0.00 0.04 0.00 0.00 61.00 62.76 1grw s PRO 13 Cb -0.14 -1.83 0.57 0.00 0.04 0.00 0.00 34.50 33.14 1grw s PRO 13 CO -0.07 -1.98 1.51 0.41 0.04 0.00 0.00 177.00 176.92 1grw n GLY 14 N -0.33 -1.48 0.00 0.56 0.00 -0.85 -4.61 105.19 98.48 1grw n GLY 14 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1grw n GLY 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1grw n THR 15 N -2.03 0.00 -3.71 2.61 -1.04 -1.26 -4.84 114.28 104.01 1grw n THR 15 Ca 0.04 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.08 1grw n THR 15 Cb 0.42 -0.30 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 1grw n THR 15 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1grw s LYS 16 N -1.39 0.35 -0.02 -2.82 -2.85 -1.26 -4.33 119.74 107.41 1grw s LYS 16 Ca 0.00 -0.20 0.01 0.00 -1.00 0.00 0.00 55.97 54.78 1grw s LYS 16 Cb 0.00 0.11 0.02 0.00 -2.06 0.00 0.00 37.83 35.90 1grw s LYS 16 CO 0.00 -0.16 -0.03 -1.50 0.10 0.00 0.00 175.35 173.76 1grw s ILE 17 N -2.26 0.32 -0.19 3.79 2.07 -0.71 -4.63 121.20 119.60 1grw s ILE 17 Ca 0.18 -0.06 -0.07 0.00 -1.41 0.00 0.00 60.65 59.30 1grw s ILE 17 Cb 0.04 -0.35 -0.04 0.00 0.13 0.00 0.00 42.46 42.24 1grw s ILE 17 CO -0.03 0.15 0.04 -0.69 -1.91 0.00 0.00 174.94 172.50 1grw s VAL 18 N 0.61 4.52 -0.25 4.00 1.01 -1.26 -0.70 120.40 128.33 1grw s VAL 18 Ca -0.07 -0.13 -0.13 0.00 0.00 0.00 0.00 61.98 61.66 1grw s VAL 18 Cb -0.10 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 1grw s VAL 18 CO -0.01 0.45 0.27 -0.36 0.00 0.00 0.00 175.10 175.45 1grw s PHE 19 N 0.57 3.27 0.06 5.22 0.08 0.71 -4.95 117.98 122.95 1grw s PHE 19 Ca 0.02 0.31 -0.22 0.00 0.12 0.00 0.00 56.93 57.16 1grw s PHE 19 Cb -0.13 -2.43 -0.06 0.00 -0.57 0.00 0.00 43.02 39.82 1grw s PHE 19 CO 0.02 -0.10 0.65 -0.80 -0.10 0.00 0.00 175.22 174.88 1grw s ASN 20 N 1.44 7.12 0.87 1.36 0.01 -1.26 -1.07 114.94 123.41 1grw s ASN 20 Ca 0.11 1.34 -0.11 0.00 -0.71 0.00 0.00 52.86 53.49 1grw s ASN 20 Cb -0.15 -2.41 0.11 0.00 0.41 0.00 0.00 41.25 39.21 1grw s ASN 20 CO 0.09 0.17 1.09 0.00 -1.51 0.00 0.00 177.10 176.94 1grw s ALA 21 N -0.66 1.71 0.78 0.60 0.00 0.27 -4.70 121.76 119.76 1grw s ALA 21 Ca 0.32 0.07 -0.11 0.00 0.00 0.00 0.00 51.96 52.24 1grw s ALA 21 Cb -0.20 -3.23 0.06 0.00 0.00 0.00 0.00 23.12 19.75 1grw s ALA 21 CO 0.20 -2.23 1.08 -1.25 0.00 0.00 0.00 175.76 173.57 1grw s PRO 22 N -4.90 2.25 -0.26 0.00 0.05 -1.26 -4.99 135.00 125.88 1grw s PRO 22 Ca 0.63 0.94 0.08 0.00 0.05 0.00 0.00 61.00 62.70 1grw s PRO 22 Cb -0.18 -1.91 0.45 0.00 0.05 0.00 0.00 34.50 32.90 1grw s PRO 22 CO 0.57 -1.58 1.22 0.66 0.05 0.00 0.00 177.00 177.91 1grw n TYR 23 N -3.45 1.69 0.17 0.56 4.01 -1.26 -4.66 117.16 114.21 1grw n TYR 23 Ca 0.08 -1.95 0.12 0.00 -0.16 0.00 0.00 57.90 55.99 1grw n TYR 23 Cb 0.54 -0.32 0.25 0.00 -0.31 0.00 0.00 39.34 39.50 1grw n TYR 23 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1grw n ASP 24 N -0.87 3.55 -3.93 7.72 9.92 -1.26 -1.32 116.55 130.36 1grw n ASP 24 Ca 0.35 -1.99 -0.18 0.00 -0.53 0.00 0.00 54.79 52.43 1grw n ASP 24 Cb 0.86 -0.31 -0.09 0.00 -0.64 0.00 0.00 41.12 40.94 1grw n ASP 24 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1grw s ASP 25 N -1.36 1.45 -0.10 -2.24 1.01 -1.26 -4.85 116.67 109.32 1grw s ASP 25 Ca 0.41 -1.57 -0.24 0.00 0.71 0.00 0.00 52.55 51.86 1grw s ASP 25 Cb 0.23 0.41 -0.03 0.00 1.01 0.00 0.00 42.92 44.55 1grw s ASP 25 CO 0.32 -0.91 0.75 -0.75 0.21 0.00 0.00 175.17 174.80 1grw s LYS 26 N -3.80 4.39 -0.06 8.23 2.20 -1.26 -3.22 119.74 126.21 1grw s LYS 26 Ca 0.36 0.93 0.04 0.00 -0.36 0.00 0.00 55.97 56.95 1grw s LYS 26 Cb 0.05 -3.50 -0.02 0.00 -1.51 0.00 0.00 37.83 32.85 1grw s LYS 26 CO 0.18 -0.08 -0.19 -1.01 -0.36 0.00 0.00 175.35 173.89 1grw s HIS 27 N 1.30 2.59 -0.23 4.03 3.76 0.02 -4.96 115.29 121.80 1grw s HIS 27 Ca 0.38 -0.46 -0.04 0.00 -0.15 0.00 0.00 55.06 54.79 1grw s HIS 27 Cb -0.17 -1.64 -0.01 0.00 1.11 0.00 0.00 32.58 31.87 1grw s HIS 27 CO 0.16 -0.04 -0.02 0.99 -0.85 0.00 0.00 174.74 174.98 1grw s THR 28 N -0.34 3.50 0.34 1.30 2.01 -1.26 0.43 115.64 121.61 1grw s THR 28 Ca 0.02 -0.51 0.08 0.00 0.31 0.00 0.00 61.69 61.59 1grw s THR 28 Cb -0.12 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 1grw s THR 28 CO 0.02 0.37 0.29 -0.31 -0.69 0.00 0.00 174.62 174.30 1grw s TYR 29 N 1.49 2.87 0.01 4.92 1.51 0.18 -4.92 117.35 123.41 1grw s TYR 29 Ca 0.05 -0.32 0.06 0.00 -1.01 0.00 0.00 57.07 55.85 1grw s TYR 29 Cb -0.15 -1.81 -0.02 0.00 -0.11 0.00 0.00 41.96 39.88 1grw s TYR 29 CO -0.02 0.18 -0.19 -1.01 -1.11 0.00 0.00 175.55 173.40 1grw s HIS 30 N -2.33 1.67 -0.09 2.71 3.76 -1.26 0.86 115.29 120.61 1grw s HIS 30 Ca 0.41 -0.34 0.02 0.00 -0.15 0.00 0.00 55.06 55.01 1grw s HIS 30 Cb -0.05 -1.04 0.01 0.00 1.11 0.00 0.00 32.58 32.61 1grw s HIS 30 CO 0.26 0.02 -0.15 0.42 -0.85 0.00 0.00 174.74 174.44 1grw s ILE 31 N -0.59 1.44 -0.24 0.60 1.01 -0.06 -4.70 121.20 118.66 1grw s ILE 31 Ca 0.07 -0.63 -0.15 0.00 0.00 0.00 0.00 60.65 59.94 1grw s ILE 31 Cb -0.08 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 1grw s ILE 31 CO 0.00 0.43 0.35 -0.75 0.00 0.00 0.00 174.94 174.97 1grw s LYS 32 N 0.81 4.08 -0.24 2.79 2.20 0.20 0.50 119.74 130.09 1grw s LYS 32 Ca -0.11 0.05 -0.06 0.00 -0.36 0.00 0.00 55.97 55.50 1grw s LYS 32 Cb -0.16 -3.59 -0.02 0.00 -1.51 0.00 0.00 37.83 32.55 1grw s LYS 32 CO 0.01 -0.13 0.02 0.08 -0.36 0.00 0.00 175.35 174.97 1grw s VAL 33 N 1.61 3.88 -0.14 4.02 1.01 0.14 -0.93 120.40 129.99 1grw s VAL 33 Ca 0.15 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 1grw s VAL 33 Cb -0.15 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1grw s VAL 33 CO 0.08 0.38 -0.10 -0.63 0.00 0.00 0.00 175.10 174.83 1grw s ILE 34 N 1.55 3.26 -0.87 2.22 1.01 0.98 -1.24 121.20 128.11 1grw s ILE 34 Ca 0.06 -0.58 -0.22 0.00 0.00 0.00 0.00 60.65 59.91 1grw s ILE 34 Cb -0.15 -2.39 0.08 0.00 0.01 0.00 0.00 42.46 40.01 1grw s ILE 34 CO 0.00 0.51 1.20 0.21 0.00 0.00 0.00 174.94 176.86 1grw s ASN 35 N 0.44 6.44 0.11 3.58 2.47 -0.70 -0.81 114.94 126.47 1grw s ASN 35 Ca -0.08 -1.46 0.27 0.00 0.42 0.00 0.00 52.86 52.02 1grw s ASN 35 Cb -0.15 -2.47 1.00 0.00 -1.45 0.00 0.00 41.25 38.18 1grw s ASN 35 CO 0.04 -1.36 1.84 -1.20 -3.72 0.00 0.00 177.10 172.70 1grw n SER 36 N 7.80 0.44 -4.17 -4.21 7.64 -1.24 0.54 113.62 120.41 1grw n SER 36 Ca 0.18 0.54 -0.29 0.00 1.01 0.00 0.00 58.87 60.30 1grw n SER 36 Cb 0.49 -0.65 0.22 0.00 -1.01 0.00 0.00 64.21 63.25 1grw n SER 36 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1grw s SER 37 N -3.82 1.56 0.00 6.43 1.04 -1.17 -4.79 113.70 112.94 1grw s SER 37 Ca 0.12 0.85 0.26 0.00 0.48 0.00 0.00 55.95 57.67 1grw s SER 37 Cb 0.15 -1.28 0.67 0.00 0.10 0.00 0.00 66.02 65.67 1grw s SER 37 CO 0.57 -3.75 1.53 0.00 0.98 0.00 0.00 173.24 172.57 1grw n ALA 38 N -4.54 2.52 -2.42 5.32 0.00 -1.26 -3.97 120.51 116.16 1grw n ALA 38 Ca 0.10 -0.56 -0.20 0.00 0.00 0.00 0.00 53.44 52.78 1grw n ALA 38 Cb 0.59 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.92 1grw n ALA 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1grw s ARG 39 N -1.99 1.28 0.08 0.00 0.52 -1.26 -4.79 118.95 112.79 1grw s ARG 39 Ca 0.34 -1.46 -0.31 0.00 -0.52 0.00 0.00 55.73 53.78 1grw s ARG 39 Cb 0.21 -1.22 -0.08 0.00 0.52 0.00 0.00 34.95 34.37 1grw s ARG 39 CO 0.32 0.23 1.61 0.50 0.02 0.00 0.00 175.30 177.98 1grw s ARG 40 N -3.10 4.21 0.26 3.54 3.52 -1.26 -4.29 118.95 121.84 1grw s ARG 40 Ca 0.18 2.30 0.12 0.00 -0.13 0.00 0.00 55.73 58.19 1grw s ARG 40 Cb -0.04 -3.50 -0.05 0.00 -1.56 0.00 0.00 34.95 29.80 1grw s ARG 40 CO 0.06 -0.69 -0.20 0.96 -0.81 0.00 0.00 175.30 174.62 1grw s ILE 41 N 2.29 2.41 -0.03 4.11 -4.36 -0.68 -0.51 121.20 124.43 1grw s ILE 41 Ca 0.72 -2.34 0.05 0.00 -0.26 0.00 0.00 60.65 58.82 1grw s ILE 41 Cb -0.40 -2.26 -0.03 0.00 1.25 0.00 0.00 42.46 41.03 1grw s ILE 41 CO 0.32 -0.37 -0.18 -0.83 0.24 0.00 0.00 174.94 174.12 1grw s GLY 42 N -3.37 1.47 0.11 6.27 0.00 0.16 -0.77 107.32 111.20 1grw s GLY 42 Ca 0.28 -1.04 0.05 0.00 0.00 0.00 0.00 44.72 44.01 1grw s GLY 42 CO 0.14 -0.85 -0.12 -2.52 0.00 0.00 0.00 173.10 169.74 1grw s TYR 43 N -0.73 1.24 0.06 1.90 -0.85 0.12 -1.57 117.35 117.53 1grw s TYR 43 Ca 0.12 -0.59 0.06 0.00 -0.52 0.00 0.00 57.07 56.14 1grw s TYR 43 Cb -0.10 -0.66 -0.03 0.00 0.38 0.00 0.00 41.96 41.54 1grw s TYR 43 CO 0.01 0.08 -0.16 0.20 -1.52 0.00 0.00 175.55 174.16 1grw s GLY 44 N -2.38 0.92 -0.04 5.49 0.00 0.58 -1.39 107.32 110.50 1grw s GLY 44 Ca 0.06 -0.98 0.06 0.00 0.00 0.00 0.00 44.72 43.86 1grw s GLY 44 CO 0.02 -0.98 -0.22 -0.42 0.00 0.00 0.00 173.10 171.51 1grw s ILE 45 N -1.06 1.76 0.12 0.90 -1.09 0.50 -0.91 121.20 121.42 1grw s ILE 45 Ca 0.02 -0.92 0.03 0.00 -2.23 0.00 0.00 60.65 57.55 1grw s ILE 45 Cb -0.09 -1.48 -0.04 0.00 -1.58 0.00 0.00 42.46 39.27 1grw s ILE 45 CO 0.02 0.50 -0.09 -0.54 -1.23 0.00 0.00 174.94 173.60 1grw s LYS 46 N -0.23 0.93 0.25 2.79 1.02 0.48 -4.87 119.74 120.12 1grw s LYS 46 Ca 0.01 -1.33 0.03 0.00 0.02 0.00 0.00 55.97 54.70 1grw s LYS 46 Cb -0.11 -0.48 -0.05 0.00 -0.52 0.00 0.00 37.83 36.66 1grw s LYS 46 CO 0.02 0.05 0.01 0.95 -0.92 0.00 0.00 175.35 175.46 1grw s THR 47 N -3.14 1.02 -2.41 2.17 -4.23 -1.26 0.85 115.64 108.64 1grw s THR 47 Ca 0.12 -2.03 0.26 0.00 -1.18 0.00 0.00 61.69 58.86 1grw s THR 47 Cb 0.02 -2.43 0.53 0.00 1.34 0.00 0.00 72.50 71.96 1grw s THR 47 CO -0.01 -0.25 1.70 0.35 -0.54 0.00 0.00 174.62 175.87 1grw n THR 48 N -0.46 0.06 -3.39 3.99 -2.24 -0.99 -4.54 114.28 106.72 1grw n THR 48 Ca -0.04 -0.27 -0.22 0.00 -2.27 0.00 0.00 64.05 61.25 1grw n THR 48 Cb 0.64 0.42 -0.09 0.00 -2.10 0.00 0.00 70.33 69.20 1grw n THR 48 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1grw s ASN 49 N -1.86 1.84 0.50 3.42 3.84 -1.26 -4.98 114.94 116.44 1grw s ASN 49 Ca 0.37 -1.95 0.27 0.00 0.21 0.00 0.00 52.86 51.76 1grw s ASN 49 Cb 0.20 0.14 1.32 0.00 -0.55 0.00 0.00 41.25 42.35 1grw s ASN 49 CO 0.31 -0.27 2.00 0.24 -2.79 0.00 0.00 177.10 176.60 1grw h MET 50 N 6.88 0.00 0.12 0.43 2.86 -1.80 0.18 114.93 123.60 1grw h MET 50 Ca 0.07 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1grw h MET 50 Cb 1.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.67 1grw h MET 50 CO 0.23 0.14 -0.06 0.87 1.06 0.00 0.00 176.91 179.16 1grw h LYS 51 N 0.00 -0.15 0.13 1.72 1.57 -1.98 -3.37 116.57 114.48 1grw h LYS 51 Ca -0.00 0.01 -0.34 0.00 -1.87 0.00 0.00 60.65 58.45 1grw h LYS 51 Cb 0.46 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1grw h LYS 51 CO 0.02 0.27 -1.79 -0.09 -0.57 0.00 0.00 179.45 177.29 1grw h ARG 52 N -0.65 0.27 -6.16 3.15 2.43 -1.93 -3.46 114.38 108.02 1grw h ARG 52 Ca -0.02 -0.46 -0.57 0.00 -0.81 0.00 0.00 59.98 58.12 1grw h ARG 52 Cb 0.50 0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 30.16 1grw h ARG 52 CO 0.03 1.14 -0.55 -0.51 -1.51 0.00 0.00 179.97 178.57 1grw s LEU 53 N -6.99 3.92 -0.19 3.80 1.43 0.63 -1.16 118.68 120.12 1grw s LEU 53 Ca -0.15 -0.06 -0.27 0.00 -1.03 0.00 0.00 54.13 52.62 1grw s LEU 53 Cb 0.06 -2.52 0.08 0.00 0.03 0.00 0.00 46.19 43.84 1grw s LEU 53 CO 0.82 0.08 0.75 -0.83 0.23 0.00 0.00 176.35 177.40 1grw s GLY 54 N -3.06 -0.50 -0.03 -3.19 0.00 -0.90 -4.33 107.32 95.31 1grw s GLY 54 Ca 0.32 1.85 0.05 0.00 0.00 0.00 0.00 44.72 46.94 1grw s GLY 54 CO 0.24 1.44 -0.19 0.14 0.00 0.00 0.00 173.10 174.73 1grw s VAL 55 N -0.26 1.55 -0.04 1.40 1.01 -1.26 0.27 120.40 123.07 1grw s VAL 55 Ca -0.04 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 1grw s VAL 55 Cb -0.03 -1.31 0.03 0.00 0.00 0.00 0.00 36.38 35.08 1grw s VAL 55 CO 0.03 0.44 0.09 -1.81 0.00 0.00 0.00 175.10 173.85 1grw s ASP 56 N -0.24 -0.01 0.57 3.32 -0.00 -0.23 -3.52 116.67 116.56 1grw s ASP 56 Ca 0.02 0.17 -0.17 0.00 -0.00 0.00 0.00 52.55 52.57 1grw s ASP 56 Cb -0.10 0.06 -0.05 0.00 -0.00 0.00 0.00 42.92 42.84 1grw s ASP 56 CO 0.01 -0.14 1.07 -2.16 -0.00 0.00 0.00 175.17 173.94 1grw s PRO 57 N 1.15 3.39 0.11 8.23 0.04 -1.26 0.43 135.00 147.08 1grw s PRO 57 Ca -0.09 1.30 0.26 0.00 0.04 0.00 0.00 61.00 62.52 1grw s PRO 57 Cb -0.12 -2.04 0.76 0.00 0.04 0.00 0.00 34.50 33.14 1grw s PRO 57 CO -0.05 -0.77 1.65 -0.35 0.04 0.00 0.00 177.00 177.53 1grw n PRO 58 N -1.74 0.17 -3.49 0.56 -0.04 -1.23 -4.83 135.00 124.39 1grw n PRO 58 Ca 0.09 0.10 -0.10 0.00 -0.04 0.00 0.00 63.50 63.56 1grw n PRO 58 Cb 0.52 -1.66 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 1grw n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1grw n GLY 60 N -0.10 0.60 2.99 0.00 0.00 -0.49 -4.99 105.19 103.20 1grw n GLY 60 Ca -0.11 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 1grw n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1grw s VAL 61 N -2.05 0.73 -0.10 1.61 1.01 -1.26 -0.70 120.40 119.64 1grw s VAL 61 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.69 1grw s VAL 61 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.72 1grw s VAL 61 CO 0.00 0.23 -0.23 -0.76 0.00 0.00 0.00 175.10 174.35 1grw s LEU 62 N 0.24 2.05 0.86 3.92 1.02 0.05 -5.00 118.68 121.82 1grw s LEU 62 Ca -0.04 -0.53 -0.12 0.00 0.02 0.00 0.00 54.13 53.46 1grw s LEU 62 Cb -0.09 -1.35 0.11 0.00 0.02 0.00 0.00 46.19 44.88 1grw s LEU 62 CO 0.00 0.15 1.15 -1.81 0.02 0.00 0.00 176.35 175.86 1grw s ASP 63 N 0.37 4.02 0.25 2.29 1.01 -1.26 -1.69 116.67 121.65 1grw s ASP 63 Ca -0.19 0.91 -0.31 0.00 0.71 0.00 0.00 52.55 53.68 1grw s ASP 63 Cb -0.18 -1.47 -0.12 0.00 1.01 0.00 0.00 42.92 42.16 1grw s ASP 63 CO 0.08 -2.23 1.61 -2.65 0.21 0.00 0.00 175.17 172.19 1grw n PRO 64 N -3.55 2.58 -0.84 8.23 -0.02 -1.26 -2.10 135.00 138.04 1grw n PRO 64 Ca 0.07 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1grw n PRO 64 Cb 0.60 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1grw n PRO 64 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1grw n LYS 65 N 2.79 -0.16 -3.07 -0.52 5.02 0.19 -4.99 118.16 117.42 1grw n LYS 65 Ca 0.12 0.04 -0.37 0.00 -2.02 0.00 0.00 58.31 56.08 1grw n LYS 65 Cb 0.35 -3.40 -0.06 0.00 -0.02 0.00 0.00 35.03 31.90 1grw n LYS 65 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1grw s GLU 66 N -0.48 4.34 0.29 1.97 2.12 -0.89 -4.78 118.70 121.27 1grw s GLU 66 Ca 0.00 0.95 0.09 0.00 0.36 0.00 0.00 54.97 56.37 1grw s GLU 66 Cb 0.00 -2.98 -0.06 0.00 0.26 0.00 0.00 34.13 31.35 1grw s GLU 66 CO 0.00 0.44 -0.12 0.00 -0.54 0.00 0.00 175.26 175.05 1grw s ALA 67 N -1.42 2.59 0.00 6.30 0.00 -1.26 -1.72 121.76 126.24 1grw s ALA 67 Ca 0.41 -1.92 -0.00 0.00 0.00 0.00 0.00 51.96 50.45 1grw s ALA 67 Cb -0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.90 1grw s ALA 67 CO 0.22 0.08 0.00 0.54 0.00 0.00 0.00 175.76 176.61 1grw s VAL 68 N -2.76 0.02 -0.32 0.00 0.11 -0.37 -5.01 120.40 112.07 1grw s VAL 68 Ca 0.29 -0.13 -0.06 0.00 -2.93 0.00 0.00 61.98 59.15 1grw s VAL 68 Cb 0.00 -0.05 0.03 0.00 -1.53 0.00 0.00 36.38 34.83 1grw s VAL 68 CO 0.13 -0.07 0.08 -0.22 -3.33 0.00 0.00 175.10 171.70 1grw s LEU 69 N -0.21 4.10 0.22 2.54 2.96 -1.26 -0.68 118.68 126.34 1grw s LEU 69 Ca -0.02 -1.00 -0.11 0.00 -0.22 0.00 0.00 54.13 52.77 1grw s LEU 69 Cb -0.01 -1.86 -0.07 0.00 0.50 0.00 0.00 46.19 44.75 1grw s LEU 69 CO -0.00 -0.27 0.56 -0.76 -1.32 0.00 0.00 176.35 174.56 1grw s LEU 70 N 1.42 4.20 -0.27 -0.68 1.43 0.18 -4.70 118.68 120.26 1grw s LEU 70 Ca -0.00 0.98 -0.08 0.00 -1.03 0.00 0.00 54.13 54.00 1grw s LEU 70 Cb -0.19 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.40 1grw s LEU 70 CO 0.02 -0.04 0.11 0.00 0.23 0.00 0.00 176.35 176.67 1grw s ALA 71 N -1.75 3.23 -0.32 4.21 0.00 0.17 -0.88 121.76 126.42 1grw s ALA 71 Ca 0.46 -1.23 -0.09 0.00 0.00 0.00 0.00 51.96 51.09 1grw s ALA 71 Cb -0.12 -2.22 0.01 0.00 0.00 0.00 0.00 23.12 20.79 1grw s ALA 71 CO 0.20 -0.65 0.15 0.08 0.00 0.00 0.00 175.76 175.54 1grw s VAL 72 N 1.62 4.45 -0.09 0.00 1.01 0.25 -1.07 120.40 126.57 1grw s VAL 72 Ca 0.06 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 1grw s VAL 72 Cb -0.16 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 1grw s VAL 72 CO 0.05 -0.02 0.28 -0.44 0.00 0.00 0.00 175.10 174.98 1grw s SER 73 N 1.57 6.55 -0.31 3.32 0.01 0.14 0.48 113.70 125.46 1grw s SER 73 Ca 0.03 0.66 0.02 0.00 1.31 0.00 0.00 55.95 57.97 1grw s SER 73 Cb -0.18 -2.17 0.09 0.00 0.21 0.00 0.00 66.02 63.98 1grw s SER 73 CO 0.06 0.29 0.04 0.00 0.41 0.00 0.00 173.24 174.03 1grw s ASP 75 N 1.17 3.49 0.25 0.00 1.01 -0.31 -0.80 116.67 121.49 1grw s ASP 75 Ca 0.07 2.22 -0.31 0.00 0.71 0.00 0.00 52.55 55.24 1grw s ASP 75 Cb -0.19 -2.57 -0.12 0.00 1.01 0.00 0.00 42.92 41.06 1grw s ASP 75 CO -0.12 -2.72 1.66 0.00 0.21 0.00 0.00 175.17 174.19 1grw s ALA 76 N -2.44 3.84 0.04 5.23 0.00 -1.20 -4.81 121.76 122.42 1grw s ALA 76 Ca 0.69 1.58 -0.16 0.00 0.00 0.00 0.00 51.96 54.07 1grw s ALA 76 Cb -0.25 -3.67 0.03 0.00 0.00 0.00 0.00 23.12 19.23 1grw s ALA 76 CO 0.54 -0.95 0.35 -0.59 0.00 0.00 0.00 175.76 175.10 1grw s PHE 77 N 0.59 -0.17 -0.62 0.00 -0.71 -0.43 -4.98 117.98 111.65 1grw s PHE 77 Ca 0.69 0.08 -0.28 0.00 -1.04 0.00 0.00 56.93 56.38 1grw s PHE 77 Cb -0.49 0.15 0.02 0.00 -1.21 0.00 0.00 43.02 41.49 1grw s PHE 77 CO 0.40 -0.53 1.38 0.00 -1.34 0.00 0.00 175.22 175.13 1grw s ALA 78 N -2.50 2.77 0.61 1.99 0.00 -1.26 -4.72 121.76 118.64 1grw s ALA 78 Ca -0.05 -0.90 -0.19 0.00 0.00 0.00 0.00 51.96 50.82 1grw s ALA 78 Cb -0.01 -4.16 -0.03 0.00 0.00 0.00 0.00 23.12 18.92 1grw s ALA 78 CO -0.03 -3.08 1.21 0.34 0.00 0.00 0.00 175.76 174.20 1grw n PHE 79 N 9.61 1.68 0.00 0.00 7.35 -1.26 -2.07 117.46 132.77 1grw n PHE 79 Ca 0.10 0.43 0.00 0.00 -0.76 0.00 0.00 57.45 57.22 1grw n PHE 79 Cb 0.49 -2.25 0.00 0.00 0.35 0.00 0.00 39.48 38.07 1grw n PHE 79 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1grw n GLY 80 N 1.00 1.80 0.34 7.13 0.00 -1.26 -4.50 105.19 109.70 1grw n GLY 80 Ca 0.14 -0.16 0.01 0.00 0.00 0.00 0.00 46.02 46.00 1grw n GLY 80 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1grw h GLN 81 N 0.00 0.94 -6.20 1.61 4.15 -1.92 -3.42 115.11 110.26 1grw h GLN 81 Ca 0.00 -0.07 -0.61 0.00 0.77 0.00 0.00 58.65 58.74 1grw h GLN 81 Cb 0.00 -0.21 -0.08 0.00 0.21 0.00 0.00 27.48 27.40 1grw h GLN 81 CO 0.00 0.64 -0.59 -1.21 -1.93 0.00 0.00 178.83 175.74 1grw s GLU 82 N -5.77 2.86 -0.07 1.69 2.02 -0.88 -5.07 118.70 113.48 1grw s GLU 82 Ca -0.11 -0.78 -0.30 0.00 0.02 0.00 0.00 54.97 53.81 1grw s GLU 82 Cb 0.18 -2.68 -0.05 0.00 0.10 0.00 0.00 34.13 31.68 1grw s GLU 82 CO 0.78 0.53 1.55 0.34 0.02 0.00 0.00 175.26 178.48 1grw s ASP 83 N -2.68 6.74 0.00 -0.19 -1.08 -1.26 -4.86 116.67 113.34 1grw s ASP 83 Ca 0.30 2.11 0.00 0.00 -0.52 0.00 0.00 52.55 54.43 1grw s ASP 83 Cb -0.11 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.81 1grw s ASP 83 CO 0.22 -0.87 0.70 0.35 0.52 0.00 0.00 175.17 176.09 1grw n THR 84 N 5.39 0.48 1.35 1.71 -2.24 -1.26 -4.73 114.28 114.97 1grw n THR 84 Ca 0.16 -0.62 0.12 0.00 -2.27 0.00 0.00 64.05 61.44 1grw n THR 84 Cb 0.43 0.85 0.44 0.00 -2.10 0.00 0.00 70.33 69.95 1grw n THR 84 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1grw n ASN 85 N -0.24 1.61 -2.90 3.42 2.85 -1.26 -4.26 115.26 114.48 1grw n ASN 85 Ca 0.00 -1.61 -0.15 0.00 -0.11 0.00 0.00 54.58 52.71 1grw n ASN 85 Cb 0.22 -0.06 -0.00 0.00 1.24 0.00 0.00 39.78 41.18 1grw n ASN 85 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1grw n ASN 86 N 0.27 1.44 -4.55 1.20 3.02 -1.26 -5.05 115.26 110.32 1grw n ASN 86 Ca 0.18 -2.93 -0.34 0.00 -0.03 0.00 0.00 54.58 51.46 1grw n ASN 86 Cb 0.34 -0.57 -0.12 0.00 -0.61 0.00 0.00 39.78 38.83 1grw n ASN 86 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1grw s ASP 87 N -2.84 4.61 0.02 6.41 1.01 -1.26 -4.84 116.67 119.78 1grw s ASP 87 Ca 0.35 -0.06 -0.23 0.00 0.71 0.00 0.00 52.55 53.31 1grw s ASP 87 Cb 0.40 -1.29 0.05 0.00 1.01 0.00 0.00 42.92 43.10 1grw s ASP 87 CO -0.03 0.32 0.53 0.00 0.21 0.00 0.00 175.17 176.20 1grw s ARG 88 N -0.55 1.00 -0.08 8.23 1.70 -1.26 -0.99 118.95 127.00 1grw s ARG 88 Ca 0.08 -0.12 0.00 0.00 -0.47 0.00 0.00 55.73 55.23 1grw s ARG 88 Cb -0.12 0.46 -0.03 0.00 -0.57 0.00 0.00 34.95 34.69 1grw s ARG 88 CO 0.02 -0.34 -0.07 0.42 -1.08 0.00 0.00 175.30 174.24 1grw s ILE 89 N -2.03 3.63 -0.10 4.99 1.01 0.43 -2.33 121.20 126.80 1grw s ILE 89 Ca -0.08 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.10 1grw s ILE 89 Cb -0.01 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 39.97 1grw s ILE 89 CO 0.02 0.58 -0.15 -0.89 0.00 0.00 0.00 174.94 174.49 1grw s THR 90 N -0.54 1.45 -0.25 2.92 2.01 0.25 0.07 115.64 121.55 1grw s THR 90 Ca 0.08 -0.63 -0.08 0.00 0.31 0.00 0.00 61.69 61.36 1grw s THR 90 Cb -0.12 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 1grw s THR 90 CO 0.02 0.43 0.11 -0.69 -0.69 0.00 0.00 174.62 173.80 1grw s VAL 91 N 0.86 4.69 -0.02 3.82 1.01 0.59 -0.38 120.40 130.97 1grw s VAL 91 Ca -0.10 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 61.91 1grw s VAL 91 Cb -0.15 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 1grw s VAL 91 CO 0.01 0.33 -0.22 -1.61 0.00 0.00 0.00 175.10 173.61 1grw s GLU 92 N 1.48 2.20 0.10 2.72 2.02 -0.09 -0.00 118.70 127.13 1grw s GLU 92 Ca 0.06 -0.88 -0.18 0.00 0.02 0.00 0.00 54.97 53.99 1grw s GLU 92 Cb -0.15 -2.15 0.04 0.00 0.10 0.00 0.00 34.13 31.97 1grw s GLU 92 CO 0.05 0.57 0.44 1.67 0.02 0.00 0.00 175.26 178.02 1grw s TRP 93 N -0.69 -0.28 0.05 1.61 -2.14 0.13 -0.31 118.94 117.32 1grw s TRP 93 Ca 0.11 0.08 -0.12 0.00 2.66 0.00 0.00 56.10 58.83 1grw s TRP 93 Cb -0.10 0.30 0.01 0.00 -3.10 0.00 0.00 33.47 30.58 1grw s TRP 93 CO 0.00 -0.69 0.25 -0.08 -2.66 0.00 0.00 176.95 173.78 1grw s THR 94 N -3.37 0.10 0.39 0.66 -1.32 -0.61 -0.85 115.64 110.64 1grw s THR 94 Ca 0.00 -0.83 -0.27 0.00 -1.21 0.00 0.00 61.69 59.38 1grw s THR 94 Cb 0.01 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.90 1grw s THR 94 CO -0.09 -0.46 1.40 0.20 -2.21 0.00 0.00 174.62 173.47 1grw s ASN 95 N -2.22 6.35 0.50 8.08 0.01 -1.26 -0.66 114.94 125.73 1grw s ASN 95 Ca -0.03 2.87 -0.18 0.00 -0.71 0.00 0.00 52.86 54.81 1grw s ASN 95 Cb 0.00 -2.66 -0.08 0.00 0.41 0.00 0.00 41.25 38.92 1grw s ASN 95 CO -0.05 -0.85 0.99 0.42 -1.51 0.00 0.00 177.10 176.10 1grw s THR 96 N -1.17 4.28 0.80 1.60 -4.23 0.33 -4.74 115.64 112.51 1grw s THR 96 Ca 0.54 1.23 -0.11 0.00 -1.18 0.00 0.00 61.69 62.17 1grw s THR 96 Cb -0.43 -3.60 0.07 0.00 1.34 0.00 0.00 72.50 69.88 1grw s THR 96 CO 0.57 -0.49 1.09 -2.16 -0.54 0.00 0.00 174.62 173.09 1grw s PRO 97 N -3.69 2.08 0.57 3.99 0.04 -1.26 -4.96 135.00 131.77 1grw s PRO 97 Ca 0.62 0.81 -0.20 0.00 0.04 0.00 0.00 61.00 62.26 1grw s PRO 97 Cb -0.11 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 1grw s PRO 97 CO 0.25 -1.66 1.10 -0.25 0.04 0.00 0.00 177.00 176.48 1grw n ASP 98 N -3.49 1.41 0.00 6.66 8.00 -1.26 -3.37 116.55 124.51 1grw n ASP 98 Ca 0.07 0.87 0.00 0.00 0.71 0.00 0.00 54.79 56.45 1grw n ASP 98 Cb 0.55 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 1grw n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1grw n GLY 99 N 1.11 1.77 0.00 0.44 0.00 -1.26 -4.94 105.19 102.32 1grw n GLY 99 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1grw n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1grw n ALA 100 N 0.00 -0.59 -1.75 4.61 0.00 -1.22 -4.99 120.51 116.58 1grw n ALA 100 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1grw n ALA 100 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 1grw n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1grw s ALA 101 N 0.00 2.05 -1.04 0.00 0.00 -1.26 -4.96 121.76 116.55 1grw s ALA 101 Ca 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 1grw s ALA 101 Cb 0.00 -2.88 0.29 0.00 0.00 0.00 0.00 23.12 20.54 1grw s ALA 101 CO 0.00 -2.38 1.93 1.17 0.00 0.00 0.00 175.76 176.48 1grw n LYS 102 N -3.79 5.08 -3.62 0.00 4.81 -1.26 -4.86 118.16 114.52 1grw n LYS 102 Ca 0.12 -4.39 -0.22 0.00 -0.87 0.00 0.00 58.31 52.95 1grw n LYS 102 Cb 0.60 -2.47 -0.17 0.00 0.02 0.00 0.00 35.03 33.01 1grw n LYS 102 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1grw s GLN 103 N -3.87 0.03 0.56 1.64 0.74 -1.26 -4.88 119.66 112.62 1grw s GLN 103 Ca 0.42 0.15 -0.18 0.00 0.05 0.00 0.00 55.36 55.80 1grw s GLN 103 Cb 0.21 -1.22 -0.09 0.00 1.10 0.00 0.00 33.01 33.02 1grw s GLN 103 CO -0.15 -0.53 0.57 0.34 -0.55 0.00 0.00 175.29 174.97 1grw n PHE 104 N 5.29 -0.51 -3.68 1.67 7.35 -1.26 -5.02 117.46 121.31 1grw n PHE 104 Ca -0.05 0.45 -0.21 0.00 -0.76 0.00 0.00 57.45 56.88 1grw n PHE 104 Cb 0.49 -1.98 -0.18 0.00 0.35 0.00 0.00 39.48 38.17 1grw n PHE 104 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1grw s ARG 105 N -2.10 0.03 0.63 -4.13 0.52 -1.26 -5.03 118.95 107.61 1grw s ARG 105 Ca 0.69 0.28 0.40 0.00 -0.52 0.00 0.00 55.73 56.58 1grw s ARG 105 Cb -0.45 -0.76 2.19 0.00 0.52 0.00 0.00 34.95 36.45 1grw s ARG 105 CO 0.54 -0.37 2.23 0.00 0.02 0.00 0.00 175.30 177.72 1grw h ARG 106 N 8.42 0.00 0.00 3.54 3.08 -2.00 -1.51 114.38 125.91 1grw h ARG 106 Ca -0.13 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.84 1grw h ARG 106 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1grw h ARG 106 CO 0.18 0.00 -0.36 0.93 -1.07 0.00 0.00 179.97 179.66 1grw h GLU 107 N 0.00 0.00 0.00 0.04 3.07 -2.00 -2.99 114.58 112.71 1grw h GLU 107 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1grw h GLU 107 Cb 0.11 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 1grw h GLU 107 CO 0.00 0.36 -0.18 -1.49 -1.40 0.00 0.00 179.01 176.30 1grw h TRP 108 N 0.00 0.00 -0.00 4.33 6.55 -1.68 -1.69 115.95 123.47 1grw h TRP 108 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1grw h TRP 108 Cb 0.77 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.07 1grw h TRP 108 CO 0.00 0.18 -0.44 1.19 -1.05 0.00 0.00 178.44 178.32 1grw n PHE 109 N -4.05 0.00 -0.11 0.49 3.01 -1.13 -4.31 117.46 111.37 1grw n PHE 109 Ca -0.02 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.22 1grw n PHE 109 Cb 0.26 -0.22 -0.12 0.00 -0.01 0.00 0.00 39.48 39.39 1grw n PHE 109 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1grw n GLN 110 N -1.29 0.65 -0.78 -1.08 6.02 -0.72 -5.01 117.38 115.17 1grw n GLN 110 Ca 0.07 0.23 -0.30 0.00 -0.01 0.00 0.00 57.00 56.99 1grw n GLN 110 Cb 0.34 -1.56 0.26 0.00 1.02 0.00 0.00 30.24 30.29 1grw n GLN 110 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1grw s GLY 111 N -6.00 1.51 0.27 1.08 0.00 -0.72 -4.93 107.32 98.54 1grw s GLY 111 Ca -0.33 -0.86 -0.30 0.00 0.00 0.00 0.00 44.72 43.22 1grw s GLY 111 CO 0.61 0.06 1.36 1.22 0.00 0.00 0.00 173.10 176.35 1grw n ASP 112 N -5.11 2.74 0.00 1.64 9.92 -1.26 -4.85 116.55 119.62 1grw n ASP 112 Ca 0.12 1.16 0.00 0.00 -0.53 0.00 0.00 54.79 55.55 1grw n ASP 112 Cb 0.59 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.63 1grw n ASP 112 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1grw n GLY 113 N 1.71 0.82 3.20 0.44 0.00 -1.26 -5.08 105.19 105.02 1grw n GLY 113 Ca 0.09 -1.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 1grw n GLY 113 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1grw s MET 114 N -2.00 2.69 -0.15 1.61 -1.94 -1.26 -5.13 119.30 113.13 1grw s MET 114 Ca 0.00 -0.81 -0.02 0.00 -1.71 0.00 0.00 55.69 53.15 1grw s MET 114 Cb 0.00 -2.11 -0.02 0.00 2.01 0.00 0.00 34.83 34.71 1grw s MET 114 CO 0.00 0.21 -0.08 0.08 -0.01 0.00 0.00 175.02 175.22 1grw s VAL 115 N 0.24 3.50 0.02 -6.03 1.01 -1.26 -4.62 120.40 113.27 1grw s VAL 115 Ca -0.14 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1grw s VAL 115 Cb -0.16 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1grw s VAL 115 CO 0.07 0.50 0.01 -0.60 0.00 0.00 0.00 175.10 175.08 1grw s ARG 116 N 0.41 2.76 -0.01 2.72 3.52 -0.03 -4.94 118.95 123.38 1grw s ARG 116 Ca -0.07 -0.65 0.02 0.00 -0.13 0.00 0.00 55.73 54.90 1grw s ARG 116 Cb -0.15 -2.66 -0.00 0.00 -1.56 0.00 0.00 34.95 30.58 1grw s ARG 116 CO 0.04 0.61 -0.07 0.50 -0.81 0.00 0.00 175.30 175.56 1grw s ARG 117 N -1.77 0.60 -0.10 5.12 6.06 -1.26 -0.69 118.95 126.90 1grw s ARG 117 Ca 0.22 -0.25 -0.00 0.00 -2.50 0.00 0.00 55.73 53.20 1grw s ARG 117 Cb -0.12 -0.58 0.02 0.00 0.06 0.00 0.00 34.95 34.34 1grw s ARG 117 CO 0.13 0.14 -0.06 0.21 -2.50 0.00 0.00 175.30 173.22 1grw s LYS 118 N -0.09 1.32 -0.01 5.12 2.20 1.00 -4.99 119.74 124.29 1grw s LYS 118 Ca 0.02 -0.18 -0.14 0.00 -0.36 0.00 0.00 55.97 55.31 1grw s LYS 118 Cb -0.04 -1.43 -0.06 0.00 -1.51 0.00 0.00 37.83 34.80 1grw s LYS 118 CO -0.00 -0.26 0.39 -0.80 -0.36 0.00 0.00 175.35 174.32 1grw s ASN 119 N 1.69 6.78 -0.40 1.43 0.01 -1.26 -0.30 114.94 122.89 1grw s ASN 119 Ca 0.04 0.92 0.02 0.00 -0.71 0.00 0.00 52.86 53.13 1grw s ASN 119 Cb -0.13 -2.24 0.12 0.00 0.41 0.00 0.00 41.25 39.42 1grw s ASN 119 CO -0.07 0.33 0.18 -0.76 -1.51 0.00 0.00 177.10 175.27 1grw s LEU 120 N -1.10 2.94 0.38 0.60 1.43 0.11 -4.90 118.68 118.15 1grw s LEU 120 Ca 0.23 -2.32 -0.27 0.00 -1.03 0.00 0.00 54.13 50.74 1grw s LEU 120 Cb -0.16 -1.11 -0.11 0.00 0.03 0.00 0.00 46.19 44.84 1grw s LEU 120 CO 0.13 -0.32 1.42 -2.65 0.23 0.00 0.00 176.35 175.15 1grw n PRO 121 N 3.97 2.44 -3.36 1.29 -0.02 -1.26 -0.43 135.00 137.62 1grw n PRO 121 Ca 0.05 0.86 -0.39 0.00 -2.02 0.00 0.00 63.50 61.99 1grw n PRO 121 Cb 0.37 -2.56 -0.08 0.00 -0.02 0.00 0.00 33.50 31.21 1grw n PRO 121 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1grw s ILE 122 N -1.13 5.16 -0.14 4.25 -1.09 -0.16 -1.73 121.20 126.35 1grw s ILE 122 Ca 0.55 0.67 -0.01 0.00 -2.23 0.00 0.00 60.65 59.63 1grw s ILE 122 Cb -0.50 -3.73 -0.01 0.00 -1.58 0.00 0.00 42.46 36.64 1grw s ILE 122 CO 0.62 0.17 -0.11 -0.70 -1.23 0.00 0.00 174.94 173.69 1grw s GLU 123 N 1.91 3.40 -0.21 2.79 2.12 0.13 -4.45 118.70 124.39 1grw s GLU 123 Ca 0.17 -0.67 -0.14 0.00 0.36 0.00 0.00 54.97 54.69 1grw s GLU 123 Cb -0.15 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.50 1grw s GLU 123 CO 0.09 0.16 0.33 0.71 -0.54 0.00 0.00 175.26 176.01 1grw s TYR 124 N 0.49 3.35 -0.37 5.30 2.02 -1.26 -0.21 117.35 126.68 1grw s TYR 124 Ca -0.08 0.50 0.01 0.00 -0.37 0.00 0.00 57.07 57.13 1grw s TYR 124 Cb -0.16 -2.45 0.10 0.00 -0.40 0.00 0.00 41.96 39.06 1grw s TYR 124 CO 0.04 0.01 0.12 1.21 -1.57 0.00 0.00 175.55 175.36 1grw s ASN 125 N 1.05 4.99 0.00 2.29 2.47 -0.23 -4.94 114.94 120.58 1grw s ASN 125 Ca 0.16 -2.07 0.30 0.00 0.42 0.00 0.00 52.86 51.67 1grw s ASN 125 Cb -0.14 -1.72 1.55 0.00 -1.45 0.00 0.00 41.25 39.48 1grw s ASN 125 CO 0.07 -0.45 2.03 -0.81 -3.72 0.00 0.00 177.10 174.21