#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1grw n VAL 4 N 0.00 0.00 -2.32 -3.33 3.14 -1.26 -5.16 118.33 109.41 1grw n VAL 4 Ca 0.00 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.02 1grw n VAL 4 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.77 1grw n VAL 4 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1grw s PRO 5 N -1.63 3.72 0.24 1.45 0.04 -1.26 -4.88 135.00 132.68 1grw s PRO 5 Ca 0.00 1.67 -0.31 0.00 0.04 0.00 0.00 61.00 62.40 1grw s PRO 5 Cb 0.00 -2.31 -0.12 0.00 0.04 0.00 0.00 34.50 32.11 1grw s PRO 5 CO 0.00 -0.56 1.64 -2.30 0.04 0.00 0.00 177.00 175.83 1grw n PRO 6 N -0.66 2.65 -1.30 0.56 -0.02 -1.26 -4.95 135.00 130.02 1grw n PRO 6 Ca 0.08 0.95 -0.30 0.00 -2.02 0.00 0.00 63.50 62.21 1grw n PRO 6 Cb 0.49 -2.75 0.24 0.00 -0.02 0.00 0.00 33.50 31.46 1grw n PRO 6 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1grw s GLY 7 N 0.83 1.65 0.36 -1.23 0.00 -1.26 -4.98 107.32 102.68 1grw s GLY 7 Ca 0.71 -1.15 -0.06 0.00 0.00 0.00 0.00 44.72 44.22 1grw s GLY 7 CO 0.40 -0.23 0.66 0.51 0.00 0.00 0.00 173.10 174.44 1grw s ASP 8 N -4.26 6.43 0.44 1.64 -4.77 -1.26 -4.89 116.67 110.01 1grw s ASP 8 Ca 0.73 0.86 0.03 0.00 -3.30 0.00 0.00 52.55 50.88 1grw s ASP 8 Cb -0.06 -2.21 0.03 0.00 -1.09 0.00 0.00 42.92 39.59 1grw s ASP 8 CO 0.55 -0.33 0.25 2.30 0.70 0.00 0.00 175.17 178.65 1grw n ILE 9 N -1.31 0.00 -4.47 2.11 -5.35 -1.26 -3.16 119.36 105.92 1grw n ILE 9 Ca -0.00 -1.84 -0.20 0.00 -0.27 0.00 0.00 62.75 60.44 1grw n ILE 9 Cb 0.54 0.02 -0.15 0.00 -1.74 0.00 0.00 39.64 38.31 1grw n ILE 9 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1grw s GLN 10 N -3.77 0.90 0.15 6.28 -0.21 -0.02 -4.82 119.66 118.17 1grw s GLN 10 Ca 0.19 -0.44 0.09 0.00 0.02 0.00 0.00 55.36 55.22 1grw s GLN 10 Cb -0.02 -0.87 -0.04 0.00 1.00 0.00 0.00 33.01 33.09 1grw s GLN 10 CO 0.12 0.24 -0.19 0.95 -2.12 0.00 0.00 175.29 174.28 1grw s THR 11 N -0.34 1.84 -0.16 -0.19 -4.23 -1.26 -0.92 115.64 110.39 1grw s THR 11 Ca 0.04 -1.85 -0.03 0.00 -1.18 0.00 0.00 61.69 58.66 1grw s THR 11 Cb -0.05 -1.81 0.05 0.00 1.34 0.00 0.00 72.50 72.04 1grw s THR 11 CO -0.00 -0.25 0.05 -1.10 -0.54 0.00 0.00 174.62 172.78 1grw s GLN 12 N -2.61 0.42 0.66 3.99 -0.21 -0.53 -2.18 119.66 119.19 1grw s GLN 12 Ca 0.14 -0.18 -0.17 0.00 0.02 0.00 0.00 55.36 55.18 1grw s GLN 12 Cb -0.07 -1.74 0.00 0.00 1.00 0.00 0.00 33.01 32.21 1grw s GLN 12 CO 0.06 -0.57 1.19 -1.25 -2.12 0.00 0.00 175.29 172.60 1grw s PRO 13 N 1.98 2.61 0.37 2.91 0.04 -1.26 -0.34 135.00 141.31 1grw s PRO 13 Ca 0.01 1.71 0.20 0.00 0.04 0.00 0.00 61.00 62.96 1grw s PRO 13 Cb -0.16 -1.90 0.52 0.00 0.04 0.00 0.00 34.50 33.01 1grw s PRO 13 CO -0.07 -1.46 1.65 0.78 0.04 0.00 0.00 177.00 177.94 1grw h GLY 14 N 0.25 0.00 0.00 0.56 0.00 -1.84 -3.42 103.07 98.62 1grw h GLY 14 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1grw h GLY 14 CO 0.53 0.00 -0.10 -1.30 0.00 0.00 0.00 176.54 175.67 1grw n THR 15 N -3.33 0.00 -3.63 4.70 -2.24 -1.26 -4.81 114.28 103.71 1grw n THR 15 Ca 0.01 -0.04 -0.01 0.00 -2.27 0.00 0.00 64.05 61.74 1grw n THR 15 Cb 0.56 0.52 -0.01 0.00 -2.10 0.00 0.00 70.33 69.31 1grw n THR 15 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1grw s LYS 16 N -0.28 0.51 -0.05 -0.78 -2.85 -1.26 -4.17 119.74 110.86 1grw s LYS 16 Ca 0.00 -0.26 0.04 0.00 -1.00 0.00 0.00 55.97 54.75 1grw s LYS 16 Cb 0.00 0.19 -0.00 0.00 -2.06 0.00 0.00 37.83 35.96 1grw s LYS 16 CO 0.00 -0.23 -0.18 -1.50 0.10 0.00 0.00 175.35 173.54 1grw s ILE 17 N -2.58 1.50 -0.17 3.79 2.07 -0.63 -4.65 121.20 120.54 1grw s ILE 17 Ca 0.12 -0.74 -0.03 0.00 -1.41 0.00 0.00 60.65 58.59 1grw s ILE 17 Cb 0.02 -1.30 -0.02 0.00 0.13 0.00 0.00 42.46 41.29 1grw s ILE 17 CO -0.03 0.43 -0.05 -0.69 -1.91 0.00 0.00 174.94 172.69 1grw s VAL 18 N 0.17 3.71 -0.23 4.00 1.01 -1.26 -0.96 120.40 126.83 1grw s VAL 18 Ca -0.07 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 1grw s VAL 18 Cb -0.13 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 1grw s VAL 18 CO 0.03 0.48 0.15 -0.36 0.00 0.00 0.00 175.10 175.41 1grw s PHE 19 N 0.58 3.34 0.03 5.22 2.99 0.22 -4.96 117.98 125.40 1grw s PHE 19 Ca -0.03 0.24 -0.18 0.00 0.00 0.00 0.00 56.93 56.96 1grw s PHE 19 Cb -0.15 -2.24 -0.06 0.00 0.00 0.00 0.00 43.02 40.57 1grw s PHE 19 CO 0.03 0.12 0.51 -0.80 -0.00 0.00 0.00 175.22 175.08 1grw s ASN 20 N 0.89 6.95 0.91 1.36 0.01 -1.26 -0.75 114.94 123.06 1grw s ASN 20 Ca 0.08 1.13 -0.11 0.00 -0.71 0.00 0.00 52.86 53.25 1grw s ASN 20 Cb -0.13 -2.32 0.14 0.00 0.41 0.00 0.00 41.25 39.35 1grw s ASN 20 CO 0.03 0.26 1.09 0.00 -1.51 0.00 0.00 177.10 176.97 1grw s ALA 21 N -0.93 1.38 0.89 0.60 0.00 0.04 -4.72 121.76 119.03 1grw s ALA 21 Ca 0.27 0.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.19 1grw s ALA 21 Cb -0.18 -3.25 0.13 0.00 0.00 0.00 0.00 23.12 19.81 1grw s ALA 21 CO 0.17 -2.52 1.09 -1.25 0.00 0.00 0.00 175.76 173.25 1grw s PRO 22 N -4.83 1.28 -0.31 0.00 0.04 -1.26 -5.01 135.00 124.92 1grw s PRO 22 Ca 0.64 0.84 0.09 0.00 0.04 0.00 0.00 61.00 62.61 1grw s PRO 22 Cb -0.19 -1.81 0.46 0.00 0.04 0.00 0.00 34.50 33.00 1grw s PRO 22 CO 0.58 -2.23 1.16 0.66 0.04 0.00 0.00 177.00 177.21 1grw n TYR 23 N -3.88 2.59 -0.59 0.56 4.01 -1.26 -4.72 117.16 113.86 1grw n TYR 23 Ca 0.07 -2.38 0.08 0.00 -0.16 0.00 0.00 57.90 55.50 1grw n TYR 23 Cb 0.55 -0.28 0.24 0.00 -0.31 0.00 0.00 39.34 39.54 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 -0.63 3.69 -3.87 7.72 9.92 -1.26 -1.54 116.55 130.59 1grw n ASP 24 Ca 0.36 -2.49 -0.09 0.00 -0.53 0.00 0.00 54.79 52.04 1grw n ASP 24 Cb 0.89 -0.43 -0.07 0.00 -0.64 0.00 0.00 41.12 40.87 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 -1.34 0.11 -0.06 -2.24 1.01 -1.26 -4.91 116.67 107.98 1grw s ASP 25 Ca 0.36 -0.68 -0.30 0.00 0.71 0.00 0.00 52.55 52.64 1grw s ASP 25 Cb 0.25 0.35 -0.02 0.00 1.01 0.00 0.00 42.92 44.51 1grw s ASP 25 CO 0.15 -0.75 1.04 -0.75 0.21 0.00 0.00 175.17 175.06 1grw s LYS 26 N -3.88 4.45 0.00 8.23 2.20 -1.26 -3.92 119.74 125.57 1grw s LYS 26 Ca 0.07 1.46 0.05 0.00 -0.36 0.00 0.00 55.97 57.19 1grw s LYS 26 Cb 0.05 -3.51 -0.03 0.00 -1.51 0.00 0.00 37.83 32.82 1grw s LYS 26 CO -0.09 -0.26 -0.15 -1.01 -0.36 0.00 0.00 175.35 173.47 1grw s HIS 27 N 1.72 2.65 -0.20 4.03 3.76 -0.27 -4.96 115.29 122.02 1grw s HIS 27 Ca 0.51 -0.19 -0.02 0.00 -0.15 0.00 0.00 55.06 55.21 1grw s HIS 27 Cb -0.20 -1.54 0.00 0.00 1.11 0.00 0.00 32.58 31.95 1grw s HIS 27 CO 0.22 0.24 -0.10 0.99 -0.85 0.00 0.00 174.74 175.24 1grw s THR 28 N -0.87 2.89 0.39 1.30 2.01 -1.26 -0.03 115.64 120.07 1grw s THR 28 Ca 0.14 -0.66 0.08 0.00 0.31 0.00 0.00 61.69 61.56 1grw s THR 28 Cb -0.11 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.09 1grw s THR 28 CO 0.04 0.47 0.29 -0.31 -0.69 0.00 0.00 174.62 174.42 1grw s TYR 29 N 1.40 2.73 0.05 4.92 1.51 0.27 -4.89 117.35 123.34 1grw s TYR 29 Ca 0.05 -0.45 0.07 0.00 -1.01 0.00 0.00 57.07 55.73 1grw s TYR 29 Cb -0.14 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.70 1grw s TYR 29 CO -0.07 0.06 -0.20 -1.01 -1.11 0.00 0.00 175.55 173.22 1grw s HIS 30 N -2.45 1.76 -0.10 2.71 3.76 -1.26 0.19 115.29 119.91 1grw s HIS 30 Ca 0.44 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.98 1grw s HIS 30 Cb -0.02 -1.05 0.02 0.00 1.11 0.00 0.00 32.58 32.64 1grw s HIS 30 CO 0.26 0.09 -0.08 0.42 -0.85 0.00 0.00 174.74 174.58 1grw s ILE 31 N -0.82 1.01 -0.16 0.60 1.01 -0.04 -4.68 121.20 118.13 1grw s ILE 31 Ca 0.07 -0.31 -0.19 0.00 0.00 0.00 0.00 60.65 60.22 1grw s ILE 31 Cb -0.09 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 1grw s ILE 31 CO 0.02 0.36 0.53 -0.75 0.00 0.00 0.00 174.94 175.09 1grw s LYS 32 N 1.45 4.27 -0.16 2.79 2.20 0.54 -0.25 119.74 130.59 1grw s LYS 32 Ca 0.00 0.49 -0.00 0.00 -0.36 0.00 0.00 55.97 56.09 1grw s LYS 32 Cb -0.13 -3.50 -0.00 0.00 -1.51 0.00 0.00 37.83 32.68 1grw s LYS 32 CO -0.05 -0.02 -0.14 0.08 -0.36 0.00 0.00 175.35 174.86 1grw s VAL 33 N 1.19 2.81 -0.10 4.02 1.01 -0.19 -1.46 120.40 127.68 1grw s VAL 33 Ca 0.26 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1grw s VAL 33 Cb -0.15 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.04 1grw s VAL 33 CO 0.11 0.51 -0.22 -0.63 0.00 0.00 0.00 175.10 174.87 1grw s ILE 34 N 0.79 1.93 -0.82 2.22 1.01 -0.09 -0.69 121.20 125.54 1grw s ILE 34 Ca -0.05 -0.93 -0.23 0.00 0.00 0.00 0.00 60.65 59.44 1grw s ILE 34 Cb -0.15 -1.68 0.07 0.00 0.01 0.00 0.00 42.46 40.71 1grw s ILE 34 CO 0.01 0.53 1.18 0.21 0.00 0.00 0.00 174.94 176.86 1grw s ASN 35 N 0.50 6.35 0.00 3.58 2.47 -0.92 -0.84 114.94 126.08 1grw s ASN 35 Ca -0.16 -1.23 0.29 0.00 0.42 0.00 0.00 52.86 52.19 1grw s ASN 35 Cb -0.17 -2.48 1.41 0.00 -1.45 0.00 0.00 41.25 38.56 1grw s ASN 35 CO 0.06 -1.45 1.94 -1.20 -3.72 0.00 0.00 177.10 172.73 1grw n SER 36 N 8.04 0.85 -4.38 -4.21 7.64 -1.22 0.07 113.62 120.42 1grw n SER 36 Ca 0.12 -1.29 -0.29 0.00 1.01 0.00 0.00 58.87 58.42 1grw n SER 36 Cb 0.48 -0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.83 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 -1.99 3.58 0.00 6.43 1.04 -1.19 -4.83 113.70 116.74 1grw s SER 37 Ca 0.42 0.35 0.26 0.00 0.48 0.00 0.00 55.95 57.46 1grw s SER 37 Cb 0.21 -0.54 0.77 0.00 0.10 0.00 0.00 66.02 66.57 1grw s SER 37 CO 0.35 -2.44 1.60 0.00 0.98 0.00 0.00 173.24 173.72 1grw n ALA 38 N -3.57 3.14 -2.44 5.32 0.00 -1.26 -4.10 120.51 117.59 1grw n ALA 38 Ca 0.13 -0.29 -0.27 0.00 0.00 0.00 0.00 53.44 53.02 1grw n ALA 38 Cb 0.60 -1.23 -0.11 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.91 1.59 0.34 0.00 0.52 -1.26 -4.66 118.95 112.57 1grw s ARG 39 Ca 0.15 -1.49 -0.29 0.00 -0.52 0.00 0.00 55.73 53.57 1grw s ARG 39 Cb 0.18 -1.89 -0.11 0.00 0.52 0.00 0.00 34.95 33.66 1grw s ARG 39 CO 0.62 0.40 1.48 0.50 0.02 0.00 0.00 175.30 178.33 1grw s ARG 40 N -2.70 4.16 0.21 3.54 3.52 -1.26 -4.37 118.95 122.05 1grw s ARG 40 Ca 0.21 2.50 0.06 0.00 -0.13 0.00 0.00 55.73 58.38 1grw s ARG 40 Cb -0.08 -3.01 -0.05 0.00 -1.56 0.00 0.00 34.95 30.25 1grw s ARG 40 CO 0.11 -0.50 -0.10 0.96 -0.81 0.00 0.00 175.30 174.95 1grw s ILE 41 N -0.76 1.54 -0.10 4.11 -4.36 -0.52 -1.92 121.20 119.20 1grw s ILE 41 Ca 0.55 -2.15 0.02 0.00 -0.26 0.00 0.00 60.65 58.82 1grw s ILE 41 Cb -0.45 -2.12 -0.01 0.00 1.25 0.00 0.00 42.46 41.13 1grw s ILE 41 CO 0.56 -0.54 -0.17 -0.83 0.24 0.00 0.00 174.94 174.20 1grw s GLY 42 N -3.31 1.46 0.19 6.27 0.00 -0.21 -1.06 107.32 110.66 1grw s GLY 42 Ca 0.23 -0.94 0.09 0.00 0.00 0.00 0.00 44.72 44.10 1grw s GLY 42 CO 0.07 -0.39 -0.17 -2.52 0.00 0.00 0.00 173.10 170.09 1grw s TYR 43 N 0.08 1.85 0.01 1.90 -0.85 0.46 -2.07 117.35 118.72 1grw s TYR 43 Ca -0.07 -0.49 0.05 0.00 -0.52 0.00 0.00 57.07 56.04 1grw s TYR 43 Cb -0.15 -0.88 -0.02 0.00 0.38 0.00 0.00 41.96 41.29 1grw s TYR 43 CO 0.05 0.39 -0.15 0.20 -1.52 0.00 0.00 175.55 174.52 1grw s GLY 44 N -3.00 0.80 -0.02 5.49 0.00 1.00 -1.66 107.32 109.94 1grw s GLY 44 Ca 0.20 -0.75 0.07 0.00 0.00 0.00 0.00 44.72 44.23 1grw s GLY 44 CO 0.08 -0.68 -0.22 -0.42 0.00 0.00 0.00 173.10 171.86 1grw s ILE 45 N -0.57 2.41 0.13 0.90 -1.09 0.44 -0.58 121.20 122.84 1grw s ILE 45 Ca 0.05 -1.04 0.01 0.00 -2.23 0.00 0.00 60.65 57.43 1grw s ILE 45 Cb -0.07 -1.90 -0.04 0.00 -1.58 0.00 0.00 42.46 38.87 1grw s ILE 45 CO 0.00 0.54 -0.01 -0.54 -1.23 0.00 0.00 174.94 173.70 1grw s LYS 46 N -0.79 0.94 0.14 2.79 1.02 -0.66 -4.88 119.74 118.29 1grw s LYS 46 Ca 0.11 -1.42 0.02 0.00 0.02 0.00 0.00 55.97 54.70 1grw s LYS 46 Cb -0.10 -0.10 -0.04 0.00 -0.52 0.00 0.00 37.83 37.07 1grw s LYS 46 CO 0.00 -0.12 -0.04 0.95 -0.92 0.00 0.00 175.35 175.23 1grw s THR 47 N -3.75 0.73 -0.77 2.17 -4.23 -1.26 -0.68 115.64 107.85 1grw s THR 47 Ca 0.18 -1.97 0.26 0.00 -1.18 0.00 0.00 61.69 58.99 1grw s THR 47 Cb 0.06 -1.91 0.28 0.00 1.34 0.00 0.00 72.50 72.28 1grw s THR 47 CO -0.01 -0.67 1.80 0.35 -0.54 0.00 0.00 174.62 175.55 1grw n THR 48 N -0.15 0.51 -3.62 3.99 -2.24 -1.05 -4.55 114.28 107.17 1grw n THR 48 Ca -0.09 -0.23 -0.29 0.00 -2.27 0.00 0.00 64.05 61.17 1grw n THR 48 Cb 0.62 -0.58 -0.12 0.00 -2.10 0.00 0.00 70.33 68.15 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 -4.30 3.17 0.27 3.42 3.84 -1.26 -4.98 114.94 115.09 1grw s ASN 49 Ca 0.11 -2.87 -0.05 0.00 0.21 0.00 0.00 52.86 50.26 1grw s ASN 49 Cb 0.13 -0.88 0.32 0.00 -0.55 0.00 0.00 41.25 40.27 1grw s ASN 49 CO 0.58 -0.22 1.94 0.24 -2.79 0.00 0.00 177.10 176.86 1grw h MET 50 N 6.28 1.25 -0.35 0.43 2.86 -1.80 0.42 114.93 124.03 1grw h MET 50 Ca 0.10 -0.08 0.06 0.00 -2.06 0.00 0.00 59.70 57.72 1grw h MET 50 Cb 0.90 -0.28 -0.05 0.00 0.06 0.00 0.00 31.60 32.23 1grw h MET 50 CO 0.46 0.83 0.04 0.87 1.06 0.00 0.00 176.91 180.17 1grw h LYS 51 N 1.29 0.15 0.02 1.72 1.57 -1.99 -3.32 116.57 116.02 1grw h LYS 51 Ca 0.35 -0.01 -0.37 0.00 -1.87 0.00 0.00 60.65 58.75 1grw h LYS 51 Cb -0.15 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.07 1grw h LYS 51 CO -0.08 0.10 -2.29 -2.13 -0.57 0.00 0.00 179.45 174.48 1grw n ARG 52 N -5.13 0.68 -4.01 3.15 0.63 -0.95 -4.89 116.66 106.14 1grw n ARG 52 Ca 0.01 0.15 -0.31 0.00 -0.92 0.00 0.00 57.85 56.78 1grw n ARG 52 Cb 0.17 -1.58 -0.06 0.00 0.45 0.00 0.00 32.46 31.43 1grw n ARG 52 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1grw s LEU 53 N -6.33 3.98 -0.10 6.15 1.43 0.14 -0.77 118.68 123.19 1grw s LEU 53 Ca -0.23 0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 52.80 1grw s LEU 53 Cb 0.08 -2.62 0.04 0.00 0.03 0.00 0.00 46.19 43.71 1grw s LEU 53 CO 0.71 0.18 0.39 -0.83 0.23 0.00 0.00 176.35 177.03 1grw s GLY 54 N -2.38 -0.27 0.12 -3.19 0.00 -1.00 -4.39 107.32 96.20 1grw s GLY 54 Ca 0.31 0.88 0.08 0.00 0.00 0.00 0.00 44.72 45.99 1grw s GLY 54 CO 0.23 0.70 -0.20 0.14 0.00 0.00 0.00 173.10 173.97 1grw s VAL 55 N -0.36 1.70 -0.30 1.40 1.01 -1.25 -0.14 120.40 122.47 1grw s VAL 55 Ca -0.05 -1.62 -0.11 0.00 0.00 0.00 0.00 61.98 60.20 1grw s VAL 55 Cb -0.03 -1.60 0.14 0.00 0.00 0.00 0.00 36.38 34.88 1grw s VAL 55 CO 0.02 -0.13 0.72 -0.62 0.00 0.00 0.00 175.10 175.09 1grw s ASP 56 N -2.08 -1.02 0.69 3.32 -1.08 -0.75 -3.97 116.67 111.78 1grw s ASP 56 Ca 0.08 1.41 -0.13 0.00 -0.52 0.00 0.00 52.55 53.39 1grw s ASP 56 Cb -0.09 2.14 0.01 0.00 -1.46 0.00 0.00 42.92 43.53 1grw s ASP 56 CO 0.05 -0.20 1.09 -2.16 0.52 0.00 0.00 175.17 174.47 1grw s PRO 57 N 2.76 2.71 0.03 4.34 0.04 -1.26 -0.86 135.00 142.76 1grw s PRO 57 Ca -0.05 1.26 0.25 0.00 0.04 0.00 0.00 61.00 62.49 1grw s PRO 57 Cb -0.11 -1.95 0.43 0.00 0.04 0.00 0.00 34.50 32.92 1grw s PRO 57 CO -0.19 -1.30 1.36 -0.35 0.04 0.00 0.00 177.00 176.56 1grw n PRO 58 N -2.77 0.08 -3.50 0.56 -0.04 -1.25 -4.85 135.00 123.23 1grw n PRO 58 Ca 0.09 0.02 -0.10 0.00 -0.04 0.00 0.00 63.50 63.48 1grw n PRO 58 Cb 0.53 -1.54 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.32 -1.06 3.01 0.00 0.00 -0.66 -4.99 105.19 101.17 1grw n GLY 60 Ca -0.12 -0.85 -0.16 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.00 0.56 -0.08 1.61 1.01 -1.26 -0.40 120.40 118.84 1grw s VAL 61 Ca 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1grw s VAL 61 Cb 0.00 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.89 1grw s VAL 61 CO 0.00 0.04 -0.10 -0.76 0.00 0.00 0.00 175.10 174.28 1grw s LEU 62 N -0.49 1.49 0.79 3.92 1.02 -0.23 -4.99 118.68 120.20 1grw s LEU 62 Ca 0.00 -0.29 -0.11 0.00 0.02 0.00 0.00 54.13 53.75 1grw s LEU 62 Cb -0.04 -0.80 0.07 0.00 0.02 0.00 0.00 46.19 45.44 1grw s LEU 62 CO -0.00 -0.02 1.09 -1.81 0.02 0.00 0.00 176.35 175.64 1grw s ASP 63 N 0.97 4.50 0.16 2.29 1.01 -1.26 -1.43 116.67 122.91 1grw s ASP 63 Ca -0.09 1.38 -0.34 0.00 0.71 0.00 0.00 52.55 54.21 1grw s ASP 63 Cb -0.15 -2.12 -0.15 0.00 1.01 0.00 0.00 42.92 41.51 1grw s ASP 63 CO 0.00 -1.97 1.41 -2.65 0.21 0.00 0.00 175.17 172.17 1grw n PRO 64 N -3.44 1.70 -0.58 8.23 -0.02 -1.26 -0.53 135.00 139.10 1grw n PRO 64 Ca 0.07 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1grw n PRO 64 Cb 0.56 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 2.60 0.00 -2.76 -0.52 5.02 0.11 -4.99 118.16 117.63 1grw n LYS 65 Ca 0.16 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.11 1grw n LYS 65 Cb 0.26 -2.97 -0.06 0.00 -0.02 0.00 0.00 35.03 32.24 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 -0.25 4.24 0.38 1.97 2.12 0.31 -4.71 118.70 122.75 1grw s GLU 66 Ca 0.00 1.22 0.08 0.00 0.36 0.00 0.00 54.97 56.63 1grw s GLU 66 Cb 0.00 -2.32 -0.07 0.00 0.26 0.00 0.00 34.13 32.00 1grw s GLU 66 CO 0.00 -0.03 -0.02 0.00 -0.54 0.00 0.00 175.26 174.67 1grw s ALA 67 N -2.00 3.13 -0.07 6.30 0.00 -1.26 -2.16 121.76 125.69 1grw s ALA 67 Ca 0.60 -2.18 -0.07 0.00 0.00 0.00 0.00 51.96 50.31 1grw s ALA 67 Cb -0.13 0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.01 1grw s ALA 67 CO 0.17 -0.03 0.20 0.54 0.00 0.00 0.00 175.76 176.64 1grw s VAL 68 N -2.65 0.01 -0.21 0.00 0.11 0.13 -5.00 120.40 112.79 1grw s VAL 68 Ca 0.35 -0.05 -0.10 0.00 -2.93 0.00 0.00 61.98 59.25 1grw s VAL 68 Cb 0.06 -0.30 -0.05 0.00 -1.53 0.00 0.00 36.38 34.56 1grw s VAL 68 CO 0.18 -0.03 0.12 -0.22 -3.33 0.00 0.00 175.10 171.82 1grw s LEU 69 N -0.01 4.08 0.02 2.54 2.96 -1.26 -1.02 118.68 125.99 1grw s LEU 69 Ca -0.01 0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 1grw s LEU 69 Cb -0.02 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 1grw s LEU 69 CO 0.00 0.14 0.03 -0.76 -1.32 0.00 0.00 176.35 174.44 1grw s LEU 70 N 0.57 3.62 -0.26 -0.68 1.43 0.66 -4.67 118.68 119.35 1grw s LEU 70 Ca 0.07 -0.00 -0.06 0.00 -1.03 0.00 0.00 54.13 53.11 1grw s LEU 70 Cb -0.12 -2.16 -0.00 0.00 0.03 0.00 0.00 46.19 43.94 1grw s LEU 70 CO 0.00 0.25 0.04 0.00 0.23 0.00 0.00 176.35 176.87 1grw s ALA 71 N -1.18 3.00 -0.34 4.21 0.00 -0.04 -0.86 121.76 126.54 1grw s ALA 71 Ca 0.22 -1.32 -0.10 0.00 0.00 0.00 0.00 51.96 50.77 1grw s ALA 71 Cb -0.12 -1.99 0.02 0.00 0.00 0.00 0.00 23.12 21.02 1grw s ALA 71 CO 0.14 -0.71 0.17 0.08 0.00 0.00 0.00 175.76 175.43 1grw s VAL 72 N 1.50 4.45 -0.11 0.00 1.01 0.51 -1.80 120.40 125.96 1grw s VAL 72 Ca 0.04 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 1grw s VAL 72 Cb -0.16 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1grw s VAL 72 CO 0.01 -0.10 0.18 -0.94 0.00 0.00 0.00 175.10 174.25 1grw s SER 73 N 1.55 6.44 -0.26 3.32 1.04 0.80 0.96 113.70 127.56 1grw s SER 73 Ca 0.03 0.53 -0.00 0.00 0.48 0.00 0.00 55.95 56.98 1grw s SER 73 Cb -0.18 -2.10 0.04 0.00 0.10 0.00 0.00 66.02 63.88 1grw s SER 73 CO 0.06 0.38 -0.08 0.00 0.98 0.00 0.00 173.24 174.58 1grw s ASP 75 N 1.25 5.19 0.80 0.00 1.01 0.05 -1.11 116.67 123.85 1grw s ASP 75 Ca -0.03 1.73 -0.13 0.00 0.71 0.00 0.00 52.55 54.83 1grw s ASP 75 Cb -0.18 -2.51 0.08 0.00 1.01 0.00 0.00 42.92 41.32 1grw s ASP 75 CO -0.05 -1.57 1.20 0.00 0.21 0.00 0.00 175.17 174.95 1grw s ALA 76 N -2.86 1.87 -0.03 5.23 0.00 -1.25 -4.81 121.76 119.91 1grw s ALA 76 Ca 0.60 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 53.07 1grw s ALA 76 Cb -0.16 -3.48 0.11 0.00 0.00 0.00 0.00 23.12 19.59 1grw s ALA 76 CO 0.51 -2.24 0.94 -0.59 0.00 0.00 0.00 175.76 174.38 1grw s PHE 77 N -2.19 -0.31 -0.51 0.00 -0.71 -0.59 -5.01 117.98 108.66 1grw s PHE 77 Ca 0.72 0.19 -0.21 0.00 -1.04 0.00 0.00 56.93 56.59 1grw s PHE 77 Cb -0.28 0.53 0.05 0.00 -1.21 0.00 0.00 43.02 42.11 1grw s PHE 77 CO 0.50 -0.49 0.74 0.00 -1.34 0.00 0.00 175.22 174.63 1grw s ALA 78 N -3.01 3.30 0.13 1.99 0.00 -1.26 -4.71 121.76 118.19 1grw s ALA 78 Ca 0.06 -1.45 -0.32 0.00 0.00 0.00 0.00 51.96 50.24 1grw s ALA 78 Cb -0.01 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.53 1grw s ALA 78 CO -0.08 -2.10 1.56 0.35 0.00 0.00 0.00 175.76 175.49 1grw h PHE 79 N 9.08 -1.57 -0.32 0.00 3.57 -1.94 -2.55 116.94 123.22 1grw h PHE 79 Ca -0.27 0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.25 1grw h PHE 79 Cb 1.09 0.72 -0.02 0.00 2.79 0.00 0.00 35.95 40.53 1grw h PHE 79 CO 0.80 -0.51 -0.04 0.78 -2.23 0.00 0.00 178.31 177.11 1grw h GLY 80 N -0.49 0.54 0.48 2.40 0.00 -2.03 -3.11 103.07 100.86 1grw h GLY 80 Ca 0.06 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1grw h GLY 80 CO -0.50 0.31 -0.02 -1.06 0.00 0.00 0.00 176.54 175.27 1grw n GLN 81 N -4.26 1.17 -4.44 4.80 6.02 -1.04 -4.90 117.38 114.72 1grw n GLN 81 Ca 0.01 -0.38 -0.24 0.00 -0.01 0.00 0.00 57.00 56.38 1grw n GLN 81 Cb 0.26 -1.49 -0.09 0.00 1.02 0.00 0.00 30.24 29.94 1grw n GLN 81 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1grw s GLU 82 N -2.09 1.81 -0.12 -1.09 2.02 -0.99 -5.04 118.70 113.20 1grw s GLU 82 Ca 0.41 -1.72 -0.29 0.00 0.02 0.00 0.00 54.97 53.38 1grw s GLU 82 Cb 0.21 -1.84 -0.03 0.00 0.10 0.00 0.00 34.13 32.58 1grw s GLU 82 CO 0.38 0.31 1.33 0.34 0.02 0.00 0.00 175.26 177.64 1grw s ASP 83 N -3.56 6.91 0.00 -0.19 -1.08 -1.26 -4.81 116.67 112.68 1grw s ASP 83 Ca 0.31 1.84 0.00 0.00 -0.52 0.00 0.00 52.55 54.17 1grw s ASP 83 Cb -0.04 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 1grw s ASP 83 CO 0.16 -0.76 0.17 0.41 0.52 0.00 0.00 175.17 175.68 1grw n THR 84 N 5.21 0.00 0.38 1.71 -1.04 -1.26 -4.74 114.28 114.55 1grw n THR 84 Ca 0.14 -0.23 0.12 0.00 -2.04 0.00 0.00 64.05 62.04 1grw n THR 84 Cb 0.45 1.41 0.17 0.00 -1.82 0.00 0.00 70.33 70.54 1grw n THR 84 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1grw h ASN 85 N 0.00 0.00 -0.07 8.00 -0.73 -1.93 -3.39 115.58 117.46 1grw h ASN 85 Ca 0.00 -0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.07 1grw h ASN 85 Cb 0.21 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.78 1grw h ASN 85 CO 0.00 0.03 -0.34 0.59 -0.37 0.00 0.00 177.43 177.34 1grw n ASN 86 N -2.52 1.99 -4.86 1.15 3.02 -1.26 -5.04 115.26 107.74 1grw n ASN 86 Ca 0.03 -3.75 -0.35 0.00 -0.03 0.00 0.00 54.58 50.48 1grw n ASN 86 Cb 0.49 -0.54 -0.06 0.00 -0.61 0.00 0.00 39.78 39.07 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 -3.03 6.71 0.18 6.41 1.01 -1.26 -4.90 116.67 121.79 1grw s ASP 87 Ca 0.39 0.90 -0.23 0.00 0.71 0.00 0.00 52.55 54.32 1grw s ASP 87 Cb 0.36 -2.22 0.06 0.00 1.01 0.00 0.00 42.92 42.13 1grw s ASP 87 CO -0.04 0.12 0.66 0.00 0.21 0.00 0.00 175.17 176.12 1grw s ARG 88 N -2.02 1.39 -0.07 8.23 1.70 -1.26 -1.28 118.95 125.63 1grw s ARG 88 Ca 0.36 -0.60 0.04 0.00 -0.47 0.00 0.00 55.73 55.06 1grw s ARG 88 Cb -0.14 0.58 -0.02 0.00 -0.57 0.00 0.00 34.95 34.80 1grw s ARG 88 CO 0.19 -0.62 -0.20 0.42 -1.08 0.00 0.00 175.30 174.02 1grw s ILE 89 N -3.75 2.55 -0.14 4.99 1.01 -0.14 -2.53 121.20 123.18 1grw s ILE 89 Ca 0.04 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.82 1grw s ILE 89 Cb -0.02 -1.98 0.02 0.00 0.01 0.00 0.00 42.46 40.48 1grw s ILE 89 CO -0.07 0.57 -0.17 -0.89 0.00 0.00 0.00 174.94 174.38 1grw s THR 90 N -0.23 1.70 -0.23 2.92 2.01 0.14 -0.20 115.64 121.74 1grw s THR 90 Ca -0.00 -0.73 -0.13 0.00 0.31 0.00 0.00 61.69 61.13 1grw s THR 90 Cb -0.13 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1grw s THR 90 CO 0.03 0.48 0.28 -0.69 -0.69 0.00 0.00 174.62 174.03 1grw s VAL 91 N 1.21 5.27 -0.14 3.82 1.01 0.12 -1.66 120.40 130.02 1grw s VAL 91 Ca -0.00 0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.42 1grw s VAL 91 Cb -0.14 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 1grw s VAL 91 CO -0.07 0.27 -0.16 -0.70 0.00 0.00 0.00 175.10 174.44 1grw s GLU 92 N 1.38 3.23 0.13 2.72 2.12 0.25 -0.35 118.70 128.19 1grw s GLU 92 Ca 0.13 -0.75 -0.05 0.00 0.36 0.00 0.00 54.97 54.65 1grw s GLU 92 Cb -0.15 -2.58 -0.02 0.00 0.26 0.00 0.00 34.13 31.64 1grw s GLU 92 CO 0.07 0.09 0.16 1.67 -0.54 0.00 0.00 175.26 176.71 1grw s TRP 93 N 0.64 0.56 0.13 5.30 -2.14 0.12 -0.00 118.94 123.56 1grw s TRP 93 Ca -0.09 -0.95 -0.17 0.00 2.66 0.00 0.00 56.10 57.55 1grw s TRP 93 Cb -0.16 -0.25 0.04 0.00 -3.10 0.00 0.00 33.47 30.00 1grw s TRP 93 CO 0.03 -0.59 0.44 -0.08 -2.66 0.00 0.00 176.95 174.08 1grw s THR 94 N -3.98 0.06 0.23 0.66 -1.32 -0.88 -0.91 115.64 109.50 1grw s THR 94 Ca 0.18 -0.47 -0.30 0.00 -1.21 0.00 0.00 61.69 59.89 1grw s THR 94 Cb 0.05 -1.14 -0.10 0.00 -1.51 0.00 0.00 72.50 69.81 1grw s THR 94 CO -0.01 -0.26 1.40 0.20 -2.21 0.00 0.00 174.62 173.74 1grw s ASN 95 N -2.79 6.74 0.49 8.08 0.01 -1.26 -1.05 114.94 125.15 1grw s ASN 95 Ca 0.03 2.58 -0.22 0.00 -0.71 0.00 0.00 52.86 54.54 1grw s ASN 95 Cb 0.01 -2.62 -0.07 0.00 0.41 0.00 0.00 41.25 38.99 1grw s ASN 95 CO -0.12 -0.64 1.14 0.42 -1.51 0.00 0.00 177.10 176.39 1grw s THR 96 N 0.04 3.18 0.34 1.60 -4.23 -0.81 -4.76 115.64 111.00 1grw s THR 96 Ca 0.58 0.82 -0.28 0.00 -1.18 0.00 0.00 61.69 61.64 1grw s THR 96 Cb -0.40 -3.38 -0.10 0.00 1.34 0.00 0.00 72.50 69.96 1grw s THR 96 CO 0.41 -0.07 1.24 -2.16 -0.54 0.00 0.00 174.62 173.50 1grw s PRO 97 N -2.93 4.31 -0.10 3.99 0.04 -1.26 -4.92 135.00 134.13 1grw s PRO 97 Ca 0.67 2.05 -0.40 0.00 0.04 0.00 0.00 61.00 63.37 1grw s PRO 97 Cb -0.26 -2.98 -0.17 0.00 0.04 0.00 0.00 34.50 31.12 1grw s PRO 97 CO 0.31 -0.17 1.43 -0.25 0.04 0.00 0.00 177.00 178.36 1grw n ASP 98 N 0.65 1.46 0.00 6.66 8.00 -1.26 -4.01 116.55 128.06 1grw n ASP 98 Ca 0.01 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.63 1grw n ASP 98 Cb 0.43 -1.08 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 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 2.95 1.24 0.76 0.44 0.00 -1.26 -5.06 105.19 104.26 1grw n GLY 99 Ca 0.22 -0.97 0.07 0.00 0.00 0.00 0.00 46.02 45.34 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 4.24 -2.66 -3.80 4.61 0.00 -1.26 -5.00 120.51 116.65 1grw n ALA 100 Ca 0.00 0.23 -0.21 0.00 0.00 0.00 0.00 53.44 53.46 1grw n ALA 100 Cb 0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 19.45 18.62 1grw n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1grw n ALA 101 N -2.13 0.62 -1.62 0.00 0.00 -1.26 -5.03 120.51 111.10 1grw n ALA 101 Ca -0.01 -1.64 -0.31 0.00 0.00 0.00 0.00 53.44 51.47 1grw n ALA 101 Cb 0.57 0.68 -0.02 0.00 0.00 0.00 0.00 19.45 20.68 1grw n ALA 101 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1grw n LYS 102 N -1.45 2.51 -3.81 0.00 4.81 -1.26 -4.79 118.16 114.17 1grw n LYS 102 Ca -0.02 -2.74 -0.29 0.00 -0.87 0.00 0.00 58.31 54.40 1grw n LYS 102 Cb 0.47 -2.18 -0.16 0.00 0.02 0.00 0.00 35.03 33.18 1grw n LYS 102 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1grw s GLN 103 N -2.54 0.99 0.33 1.64 -0.21 -1.26 -4.85 119.66 113.76 1grw s GLN 103 Ca 0.56 -0.71 -0.25 0.00 0.02 0.00 0.00 55.36 54.98 1grw s GLN 103 Cb 0.40 -2.27 -0.15 0.00 1.00 0.00 0.00 33.01 32.00 1grw s GLN 103 CO -0.28 -0.68 0.57 0.34 -2.12 0.00 0.00 175.29 173.13 1grw n PHE 104 N 4.89 -0.35 -3.79 0.91 7.35 -1.26 -4.99 117.46 120.22 1grw n PHE 104 Ca -0.09 0.73 -0.25 0.00 -0.76 0.00 0.00 57.45 57.08 1grw n PHE 104 Cb 0.45 -2.01 -0.17 0.00 0.35 0.00 0.00 39.48 38.11 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 -1.33 0.84 0.58 -4.13 0.52 -1.26 -5.01 118.95 109.16 1grw s ARG 105 Ca 0.62 -0.16 0.30 0.00 -0.52 0.00 0.00 55.73 55.96 1grw s ARG 105 Cb -0.72 -1.50 1.41 0.00 0.52 0.00 0.00 34.95 34.66 1grw s ARG 105 CO 0.59 -0.41 1.80 -0.09 0.02 0.00 0.00 175.30 177.20 1grw h ARG 106 N 8.26 0.00 -0.78 3.54 9.65 -2.02 -1.61 114.38 131.42 1grw h ARG 106 Ca -0.21 0.00 0.11 0.00 -1.10 0.00 0.00 59.98 58.78 1grw h ARG 106 Cb 1.12 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.65 1grw h ARG 106 CO 0.32 0.00 0.51 0.93 2.80 0.00 0.00 179.97 184.53 1grw h GLU 107 N 0.00 0.63 -0.25 0.20 3.07 -1.99 -2.30 114.58 113.94 1grw h GLU 107 Ca 0.31 -0.04 0.07 0.00 -0.50 0.00 0.00 59.36 59.21 1grw h GLU 107 Cb 1.61 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 29.37 1grw h GLU 107 CO -0.00 0.42 0.29 -1.49 -1.40 0.00 0.00 179.01 176.82 1grw h TRP 108 N 0.65 0.00 0.00 4.33 6.55 -1.69 0.45 115.95 126.24 1grw h TRP 108 Ca 0.37 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.21 1grw h TRP 108 Cb 0.54 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.84 1grw h TRP 108 CO -0.00 0.00 -1.38 1.19 -1.05 0.00 0.00 178.44 177.19 1grw n PHE 109 N -3.72 0.24 -0.07 0.49 3.01 -0.87 -4.43 117.46 112.10 1grw n PHE 109 Ca 0.03 0.07 -0.08 0.00 1.01 0.00 0.00 57.45 58.48 1grw n PHE 109 Cb 0.43 -0.48 -0.05 0.00 -0.01 0.00 0.00 39.48 39.36 1grw n PHE 109 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 1grw h GLN 110 N 0.00 0.00 -6.81 -1.08 3.07 -0.15 -3.49 115.11 106.66 1grw h GLN 110 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 58.65 58.39 1grw h GLN 110 Cb 0.84 0.00 0.20 0.00 0.08 0.00 0.00 27.48 28.61 1grw h GLN 110 CO 0.00 0.36 -0.17 0.41 0.09 0.00 0.00 178.83 179.52 1grw n GLY 111 N 1.62 -3.68 3.66 0.06 0.00 0.14 -4.90 105.19 102.09 1grw n GLY 111 Ca -0.11 -1.57 -0.39 0.00 0.00 0.00 0.00 46.02 43.95 1grw n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1grw n ASP 112 N -5.16 1.58 0.00 1.61 9.92 -1.26 -4.84 116.55 118.40 1grw n ASP 112 Ca 0.12 0.94 0.00 0.00 -0.53 0.00 0.00 54.79 55.32 1grw n ASP 112 Cb 0.56 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.60 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 1.07 0.92 3.10 0.44 0.00 -1.26 -5.05 105.19 104.41 1grw n GLY 113 Ca 0.11 -1.84 -0.25 0.00 0.00 0.00 0.00 46.02 44.04 1grw n GLY 113 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1grw s MET 114 N -2.00 1.58 -0.05 1.61 1.75 -1.26 -5.14 119.30 115.79 1grw s MET 114 Ca 0.00 -0.54 0.05 0.00 -1.25 0.00 0.00 55.69 53.96 1grw s MET 114 Cb 0.00 -1.39 -0.02 0.00 2.84 0.00 0.00 34.83 36.26 1grw s MET 114 CO 0.00 0.22 -0.20 0.08 -0.65 0.00 0.00 175.02 174.46 1grw s VAL 115 N 0.06 2.52 0.01 10.11 1.01 -1.26 -4.65 120.40 128.20 1grw s VAL 115 Ca -0.03 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.11 1grw s VAL 115 Cb -0.11 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1grw s VAL 115 CO 0.02 0.58 -0.24 -0.60 0.00 0.00 0.00 175.10 174.86 1grw s ARG 116 N -0.52 2.04 0.09 2.72 3.52 -0.09 -4.96 118.95 121.75 1grw s ARG 116 Ca 0.07 -0.98 0.06 0.00 -0.13 0.00 0.00 55.73 54.75 1grw s ARG 116 Cb -0.11 -2.08 -0.03 0.00 -1.56 0.00 0.00 34.95 31.17 1grw s ARG 116 CO 0.01 0.55 -0.15 1.03 -0.81 0.00 0.00 175.30 175.93 1grw s ARG 117 N -0.97 0.91 -0.07 5.12 0.52 -1.26 0.16 118.95 123.36 1grw s ARG 117 Ca 0.11 -1.06 -0.00 0.00 -0.52 0.00 0.00 55.73 54.26 1grw s ARG 117 Cb -0.10 -0.90 0.02 0.00 0.52 0.00 0.00 34.95 34.49 1grw s ARG 117 CO 0.01 0.19 -0.04 0.21 0.02 0.00 0.00 175.30 175.69 1grw s LYS 118 N -2.04 0.99 -0.10 3.54 2.20 0.53 -4.99 119.74 119.87 1grw s LYS 118 Ca 0.02 -0.09 -0.12 0.00 -0.36 0.00 0.00 55.97 55.43 1grw s LYS 118 Cb -0.08 -1.12 -0.05 0.00 -1.51 0.00 0.00 37.83 35.07 1grw s LYS 118 CO 0.03 -0.20 0.27 -0.80 -0.36 0.00 0.00 175.35 174.28 1grw s ASN 119 N 1.48 6.52 -0.38 1.43 0.01 -1.26 -0.71 114.94 122.02 1grw s ASN 119 Ca -0.02 0.61 0.03 0.00 -0.71 0.00 0.00 52.86 52.78 1grw s ASN 119 Cb -0.13 -2.16 0.11 0.00 0.41 0.00 0.00 41.25 39.48 1grw s ASN 119 CO -0.04 0.28 0.11 -0.76 -1.51 0.00 0.00 177.10 175.18 1grw s LEU 120 N -0.51 4.72 0.40 0.60 1.43 0.72 -4.86 118.68 121.18 1grw s LEU 120 Ca 0.18 -2.33 -0.27 0.00 -1.03 0.00 0.00 54.13 50.68 1grw s LEU 120 Cb -0.14 -1.65 -0.09 0.00 0.03 0.00 0.00 46.19 44.34 1grw s LEU 120 CO 0.06 -0.36 1.35 -2.84 0.23 0.00 0.00 176.35 174.80 1grw s PRO 121 N 0.67 4.01 -0.25 1.29 0.02 -1.26 -0.97 135.00 138.51 1grw s PRO 121 Ca 0.12 2.28 -0.16 0.00 0.02 0.00 0.00 61.00 63.26 1grw s PRO 121 Cb -0.21 -2.83 -0.03 0.00 0.02 0.00 0.00 34.50 31.45 1grw s PRO 121 CO -0.06 -0.50 0.42 0.42 -0.33 0.00 0.00 177.00 176.95 1grw s ILE 122 N -1.21 5.15 -0.07 2.83 -1.09 -0.40 -1.60 121.20 124.80 1grw s ILE 122 Ca 0.55 0.69 0.03 0.00 -2.23 0.00 0.00 60.65 59.70 1grw s ILE 122 Cb -0.41 -3.75 -0.02 0.00 -1.58 0.00 0.00 42.46 36.71 1grw s ILE 122 CO 0.53 0.15 -0.17 -0.70 -1.23 0.00 0.00 174.94 173.52 1grw s GLU 123 N 2.00 2.72 -0.20 2.79 2.12 -0.14 -4.50 118.70 123.49 1grw s GLU 123 Ca 0.18 -0.76 -0.07 0.00 0.36 0.00 0.00 54.97 54.68 1grw s GLU 123 Cb -0.16 -2.37 -0.04 0.00 0.26 0.00 0.00 34.13 31.83 1grw s GLU 123 CO 0.09 0.46 0.05 0.71 -0.54 0.00 0.00 175.26 176.04 1grw s TYR 124 N -0.32 3.17 -0.43 5.30 2.02 -1.26 -0.61 117.35 125.22 1grw s TYR 124 Ca 0.02 -0.11 -0.05 0.00 -0.37 0.00 0.00 57.07 56.56 1grw s TYR 124 Cb -0.13 -2.11 0.11 0.00 -0.40 0.00 0.00 41.96 39.43 1grw s TYR 124 CO 0.02 -0.02 0.25 1.21 -1.57 0.00 0.00 175.55 175.44 1grw s ASN 125 N 0.75 5.39 0.00 2.29 2.47 0.07 -4.95 114.94 120.97 1grw s ASN 125 Ca 0.03 -1.98 0.30 0.00 0.42 0.00 0.00 52.86 51.63 1grw s ASN 125 Cb -0.14 -1.88 1.43 0.00 -1.45 0.00 0.00 41.25 39.21 1grw s ASN 125 CO 0.02 -0.59 1.96 -0.81 -3.72 0.00 0.00 177.10 173.97