#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gr1 s VAL 10 N 0.00 3.38 0.13 5.18 1.01 -1.26 -4.99 120.40 123.85 1gr1 s VAL 10 Ca 0.00 0.78 -0.31 0.00 0.00 0.00 0.00 61.98 62.45 1gr1 s VAL 10 Cb 0.00 -3.50 -0.08 0.00 0.00 0.00 0.00 36.38 32.81 1gr1 s VAL 10 CO 0.00 -0.01 1.31 -2.16 0.00 0.00 0.00 175.10 174.24 1gr1 s PRO 11 N 2.64 4.37 -0.04 2.72 0.04 -1.26 -5.02 135.00 138.45 1gr1 s PRO 11 Ca 0.69 1.98 -0.08 0.00 0.04 0.00 0.00 61.00 63.64 1gr1 s PRO 11 Cb -0.36 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 30.94 1gr1 s PRO 11 CO 0.29 -0.33 0.19 0.14 0.04 0.00 0.00 177.00 177.34 1gr1 s VAL 12 N 0.78 0.04 -1.54 -0.36 -7.23 -1.26 -4.67 120.40 106.16 1gr1 s VAL 12 Ca 0.61 -0.31 -0.01 0.00 -1.81 0.00 0.00 61.98 60.45 1gr1 s VAL 12 Cb -0.35 -0.38 0.01 0.00 0.56 0.00 0.00 36.38 36.22 1gr1 s VAL 12 CO 0.32 -0.17 0.09 0.59 -0.31 0.00 0.00 175.10 175.62 1gr1 n ASN 13 N 2.21 0.63 0.23 4.85 3.02 0.47 -4.78 115.26 121.89 1gr1 n ASN 13 Ca -0.17 -1.23 0.10 0.00 -0.03 0.00 0.00 54.58 53.24 1gr1 n ASN 13 Cb 0.57 -1.83 0.51 0.00 -0.61 0.00 0.00 39.78 38.42 1gr1 n ASN 13 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1gr1 h LEU 14 N -1.76 0.00 -7.98 3.41 3.38 -1.21 -3.43 115.31 107.73 1gr1 h LEU 14 Ca -0.65 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 56.90 1gr1 h LEU 14 Cb 1.40 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.84 1gr1 h LEU 14 CO 0.70 0.22 -0.78 -0.31 0.09 0.00 0.00 178.44 178.36 1gr1 s TYR 15 N -3.78 0.92 0.26 1.13 2.02 -0.71 -4.99 117.35 112.20 1gr1 s TYR 15 Ca -0.00 -0.22 0.10 0.00 -0.37 0.00 0.00 57.07 56.58 1gr1 s TYR 15 Cb 0.11 -0.65 -0.05 0.00 -0.40 0.00 0.00 41.96 40.97 1gr1 s TYR 15 CO 0.63 -0.09 -0.17 1.03 -1.57 0.00 0.00 175.55 175.38 1gr1 s ARG 16 N 0.15 1.57 0.39 -0.62 0.52 -1.24 -0.91 118.95 118.81 1gr1 s ARG 16 Ca -0.02 -1.72 0.28 0.00 -0.52 0.00 0.00 55.73 53.75 1gr1 s ARG 16 Cb -0.08 -1.54 1.31 0.00 0.52 0.00 0.00 34.95 35.16 1gr1 s ARG 16 CO 0.00 0.27 1.85 -1.00 0.02 0.00 0.00 175.30 176.44 1gr1 h PRO 17 N 2.35 0.00 0.00 3.54 0.13 -1.98 -0.98 132.00 135.06 1gr1 h PRO 17 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1gr1 h PRO 17 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1gr1 h PRO 17 CO 0.61 0.00 0.00 -2.95 -0.23 0.00 0.00 178.00 175.43 1gr1 h ASN 18 N 0.00 0.00 -1.48 1.44 -1.07 -2.01 -3.38 115.58 109.07 1gr1 h ASN 18 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 56.30 55.99 1gr1 h ASN 18 Cb 0.27 0.00 -0.27 0.00 -2.07 0.00 0.00 38.32 36.25 1gr1 h ASN 18 CO 0.00 0.00 -0.76 0.00 0.07 0.00 0.00 177.43 176.74 1gr1 n ALA 19 N -2.08 0.51 -2.10 4.14 0.00 -0.44 -5.15 120.51 115.38 1gr1 n ALA 19 Ca 0.04 -2.17 -0.29 0.00 0.00 0.00 0.00 53.44 51.02 1gr1 n ALA 19 Cb 0.51 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 18.87 1gr1 n ALA 19 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1gr1 s PRO 20 N 0.25 3.45 -0.00 0.00 0.04 -0.79 -3.67 135.00 134.28 1gr1 s PRO 20 Ca 0.32 0.36 -0.30 0.00 0.04 0.00 0.00 61.00 61.42 1gr1 s PRO 20 Cb 0.07 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1gr1 s PRO 20 CO -0.14 -0.42 1.36 0.12 0.04 0.00 0.00 177.00 177.96 1gr1 s PHE 21 N -2.94 2.95 -1.00 0.56 5.36 -0.23 -4.79 117.98 117.87 1gr1 s PHE 21 Ca 0.51 0.91 -0.20 0.00 -0.96 0.00 0.00 56.93 57.20 1gr1 s PHE 21 Cb -0.11 -3.61 0.11 0.00 -0.34 0.00 0.00 43.02 39.07 1gr1 s PHE 21 CO 0.48 -2.20 1.29 0.42 -1.46 0.00 0.00 175.22 173.75 1gr1 s ILE 22 N 2.27 4.46 0.91 3.12 -1.09 -1.26 -0.83 121.20 128.78 1gr1 s ILE 22 Ca 0.62 -1.43 -0.11 0.00 -2.23 0.00 0.00 60.65 57.50 1gr1 s ILE 22 Cb -0.30 -4.91 0.20 0.00 -1.58 0.00 0.00 42.46 35.87 1gr1 s ILE 22 CO 0.26 -1.69 1.24 -0.83 -1.23 0.00 0.00 174.94 172.70 1gr1 s GLY 23 N 4.03 1.79 -0.03 6.18 0.00 -0.32 -4.80 107.32 114.17 1gr1 s GLY 23 Ca 0.39 -1.48 0.02 0.00 0.00 0.00 0.00 44.72 43.65 1gr1 s GLY 23 CO -0.08 -0.72 -0.06 1.25 0.00 0.00 0.00 173.10 173.49 1gr1 s LYS 24 N -5.70 0.79 -0.01 2.90 2.20 -1.19 -0.94 119.74 117.79 1gr1 s LYS 24 Ca 0.73 -0.17 -0.30 0.00 -0.36 0.00 0.00 55.97 55.87 1gr1 s LYS 24 Cb -0.03 -0.77 -0.07 0.00 -1.51 0.00 0.00 37.83 35.45 1gr1 s LYS 24 CO 0.51 0.01 1.66 0.08 -0.36 0.00 0.00 175.35 177.25 1gr1 s VAL 25 N 0.53 3.41 -0.15 4.02 1.01 0.30 0.62 120.40 130.14 1gr1 s VAL 25 Ca -0.07 0.62 -0.23 0.00 0.00 0.00 0.00 61.98 62.29 1gr1 s VAL 25 Cb -0.11 -3.40 -0.20 0.00 0.00 0.00 0.00 36.38 32.67 1gr1 s VAL 25 CO 0.00 -0.04 0.49 0.40 0.00 0.00 0.00 175.10 175.96 1gr1 h ILE 26 N 5.34 1.28 -4.27 2.22 2.04 -0.81 0.08 117.51 123.39 1gr1 h ILE 26 Ca -0.41 -2.10 -0.13 0.00 1.00 0.00 0.00 64.86 63.22 1gr1 h ILE 26 Cb 1.19 2.56 -0.15 0.00 -0.74 0.00 0.00 36.82 39.68 1gr1 h ILE 26 CO 0.94 0.43 -0.66 -0.94 0.00 0.00 0.00 178.15 177.93 1gr1 s SER 27 N -6.30 0.43 -0.32 1.72 1.04 -1.15 -4.66 113.70 104.46 1gr1 s SER 27 Ca -0.20 -1.04 0.02 0.00 0.48 0.00 0.00 55.95 55.22 1gr1 s SER 27 Cb -0.00 0.23 0.15 0.00 0.10 0.00 0.00 66.02 66.50 1gr1 s SER 27 CO 0.57 -0.64 0.36 0.21 0.98 0.00 0.00 173.24 174.72 1gr1 s ASN 28 N -2.95 1.09 -0.04 7.02 3.04 -1.26 -1.94 114.94 119.91 1gr1 s ASN 28 Ca 0.11 -0.96 0.02 0.00 0.04 0.00 0.00 52.86 52.07 1gr1 s ASN 28 Cb 0.08 0.71 -0.03 0.00 -1.54 0.00 0.00 41.25 40.47 1gr1 s ASN 28 CO -0.07 -0.33 -0.06 -1.83 -3.04 0.00 0.00 177.10 171.77 1gr1 s GLU 29 N 2.06 2.68 0.24 0.43 -1.05 -0.20 -4.93 118.70 117.92 1gr1 s GLU 29 Ca 0.12 -0.61 -0.30 0.00 -0.15 0.00 0.00 54.97 54.03 1gr1 s GLU 29 Cb -0.14 -2.56 -0.09 0.00 -0.44 0.00 0.00 34.13 30.90 1gr1 s GLU 29 CO -0.21 0.64 1.06 -1.25 0.95 0.00 0.00 175.26 176.45 1gr1 s PRO 30 N -1.09 4.68 -0.13 -4.83 0.04 -1.26 0.21 135.00 132.62 1gr1 s PRO 30 Ca 0.15 1.70 0.13 0.00 0.04 0.00 0.00 61.00 63.02 1gr1 s PRO 30 Cb -0.11 -3.24 -0.19 0.00 0.04 0.00 0.00 34.50 31.00 1gr1 s PRO 30 CO 0.04 0.24 0.09 1.28 0.04 0.00 0.00 177.00 178.69 1gr1 n LEU 31 N 1.66 0.00 -4.70 -3.56 4.77 -0.36 -4.85 117.00 109.96 1gr1 n LEU 31 Ca -0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 1gr1 n LEU 31 Cb 0.46 0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 41.81 1gr1 n LEU 31 CO 0.53 0.31 0.42 -0.69 -1.33 0.00 0.00 177.39 176.63 1gr1 s VAL 32 N -2.45 5.02 0.72 4.08 1.01 -1.24 -4.58 120.40 122.95 1gr1 s VAL 32 Ca -0.07 1.41 -0.05 0.00 0.00 0.00 0.00 61.98 63.27 1gr1 s VAL 32 Cb 0.05 -4.03 0.10 0.00 0.00 0.00 0.00 36.38 32.50 1gr1 s VAL 32 CO 0.60 0.19 1.01 -0.54 0.00 0.00 0.00 175.10 176.36 1gr1 s LYS 33 N 1.23 1.85 0.22 2.72 -0.14 -0.37 -4.96 119.74 120.29 1gr1 s LYS 33 Ca 0.35 -0.67 -0.32 0.00 -1.36 0.00 0.00 55.97 53.97 1gr1 s LYS 33 Cb -0.17 -2.24 -0.12 0.00 -1.68 0.00 0.00 37.83 33.63 1gr1 s LYS 33 CO 0.15 -1.39 1.71 -1.83 -0.76 0.00 0.00 175.35 173.23 1gr1 s GLU 34 N -5.22 4.12 0.00 1.68 -1.05 -1.26 -2.32 118.70 114.65 1gr1 s GLU 34 Ca 0.64 2.61 0.00 0.00 -0.15 0.00 0.00 54.97 58.07 1gr1 s GLU 34 Cb -0.08 -3.07 0.00 0.00 -0.44 0.00 0.00 34.13 30.55 1gr1 s GLU 34 CO 0.45 -0.74 0.00 0.41 0.95 0.00 0.00 175.26 176.33 1gr1 n GLY 35 N 3.76 0.73 3.92 -3.83 0.00 -1.26 -4.80 105.19 103.71 1gr1 n GLY 35 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 1gr1 n GLY 35 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gr1 s GLY 36 N -1.49 1.79 -0.15 -0.02 0.00 -0.98 -4.87 107.32 101.60 1gr1 s GLY 36 Ca 0.00 -1.62 -0.20 0.00 0.00 0.00 0.00 44.72 42.90 1gr1 s GLY 36 CO 0.00 -1.52 0.58 -0.42 0.00 0.00 0.00 173.10 171.74 1gr1 s ILE 37 N -2.29 5.09 0.00 0.90 1.01 -1.26 -4.99 121.20 119.66 1gr1 s ILE 37 Ca 0.45 1.12 0.00 0.00 0.00 0.00 0.00 60.65 62.22 1gr1 s ILE 37 Cb -0.07 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.49 1gr1 s ILE 37 CO 0.29 0.21 0.00 0.61 0.00 0.00 0.00 174.94 176.05 1gr1 n GLY 38 N 3.55 -2.24 2.93 6.18 0.00 -1.26 -4.89 105.19 109.47 1gr1 n GLY 38 Ca -0.04 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 1gr1 n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gr1 s ILE 39 N -0.42 1.28 -0.09 -0.61 1.01 -1.26 -4.90 121.20 116.21 1gr1 s ILE 39 Ca 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 60.02 1gr1 s ILE 39 Cb 0.00 -1.38 0.00 0.00 0.01 0.00 0.00 42.46 41.10 1gr1 s ILE 39 CO 0.00 0.21 -0.21 -0.69 0.00 0.00 0.00 174.94 174.26 1gr1 s VAL 40 N 1.57 1.79 0.10 2.92 1.01 -1.26 -0.85 120.40 125.68 1gr1 s VAL 40 Ca 0.01 -0.87 0.10 0.00 0.00 0.00 0.00 61.98 61.23 1gr1 s VAL 40 Cb -0.15 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1gr1 s VAL 40 CO -0.08 0.50 -0.26 -1.10 0.00 0.00 0.00 175.10 174.16 1gr1 s GLN 41 N 0.40 1.47 -0.38 2.72 -1.52 -0.08 -1.23 119.66 121.04 1gr1 s GLN 41 Ca -0.17 -1.23 -0.16 0.00 -1.95 0.00 0.00 55.36 51.85 1gr1 s GLN 41 Cb -0.17 -1.82 0.00 0.00 -0.22 0.00 0.00 33.01 30.80 1gr1 s GLN 41 CO 0.07 0.45 0.41 -1.58 -0.25 0.00 0.00 175.29 174.39 1gr1 s HIS 42 N -0.98 3.19 -0.13 0.91 5.65 0.13 -1.40 115.29 122.65 1gr1 s HIS 42 Ca 0.12 -0.17 0.01 0.00 0.25 0.00 0.00 55.06 55.27 1gr1 s HIS 42 Cb -0.10 -2.80 -0.00 0.00 -1.18 0.00 0.00 32.58 28.50 1gr1 s HIS 42 CO 0.04 -0.57 -0.18 0.42 -0.65 0.00 0.00 174.74 173.81 1gr1 s ILE 43 N 2.11 2.55 -0.09 0.89 1.01 -0.60 -1.03 121.20 126.03 1gr1 s ILE 43 Ca 0.12 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.97 1gr1 s ILE 43 Cb -0.17 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.25 1gr1 s ILE 43 CO 0.13 0.53 -0.17 -0.75 0.00 0.00 0.00 174.94 174.68 1gr1 s LYS 44 N 0.53 2.97 0.08 2.79 2.20 -0.82 -0.56 119.74 126.92 1gr1 s LYS 44 Ca -0.11 -0.76 0.09 0.00 -0.36 0.00 0.00 55.97 54.83 1gr1 s LYS 44 Cb -0.16 -2.43 -0.03 0.00 -1.51 0.00 0.00 37.83 33.69 1gr1 s LYS 44 CO 0.04 0.34 -0.21 -0.06 -0.36 0.00 0.00 175.35 175.10 1gr1 s PHE 45 N -0.01 2.47 -0.16 4.03 0.40 0.58 -0.07 117.98 125.22 1gr1 s PHE 45 Ca -0.05 -0.31 -0.21 0.00 -0.60 0.00 0.00 56.93 55.76 1gr1 s PHE 45 Cb -0.14 -1.39 -0.03 0.00 0.51 0.00 0.00 43.02 41.97 1gr1 s PHE 45 CO 0.04 0.28 0.64 0.34 0.70 0.00 0.00 175.22 177.22 1gr1 s ASP 46 N -1.69 6.75 0.00 1.36 2.15 0.20 -1.68 116.67 123.77 1gr1 s ASP 46 Ca 0.15 0.91 0.18 0.00 0.43 0.00 0.00 52.55 54.22 1gr1 s ASP 46 Cb -0.10 -2.36 0.09 0.00 -0.30 0.00 0.00 42.92 40.25 1gr1 s ASP 46 CO 0.06 -0.22 1.03 0.18 -0.17 0.00 0.00 175.17 176.05 1gr1 n LEU 47 N 4.68 2.26 -4.76 -1.34 4.77 -0.17 -3.19 117.00 119.24 1gr1 n LEU 47 Ca -0.02 -0.91 -0.36 0.00 -0.03 0.00 0.00 56.01 54.69 1gr1 n LEU 47 Cb 0.50 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1gr1 n LEU 47 CO 0.45 0.40 0.83 0.42 -1.33 0.00 0.00 177.39 178.16 1gr1 s THR 48 N -1.74 2.81 0.00 -5.08 -4.23 -1.24 -3.00 115.64 103.17 1gr1 s THR 48 Ca 0.19 0.53 0.00 0.00 -1.18 0.00 0.00 61.69 61.23 1gr1 s THR 48 Cb 0.15 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1gr1 s THR 48 CO 0.31 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.92 1gr1 n GLY 49 N 0.42 0.30 0.00 3.99 0.00 -1.26 -4.99 105.19 103.65 1gr1 n GLY 49 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1gr1 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gr1 n GLY 50 N -2.00 4.20 2.15 -0.02 0.00 -1.16 -5.10 105.19 103.26 1gr1 n GLY 50 Ca 0.00 -1.32 -0.01 0.00 0.00 0.00 0.00 46.02 44.69 1gr1 n GLY 50 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1gr1 n ASN 51 N -0.82 1.83 -4.61 1.61 6.94 -1.26 -5.04 115.26 113.90 1gr1 n ASN 51 Ca 0.00 -2.38 -0.43 0.00 -0.02 0.00 0.00 54.58 51.75 1gr1 n ASN 51 Cb 0.00 -0.41 -0.03 0.00 -2.36 0.00 0.00 39.78 36.98 1gr1 n ASN 51 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1gr1 s LEU 52 N -2.57 3.70 0.15 -4.53 1.98 -1.26 -4.98 118.68 111.17 1gr1 s LEU 52 Ca 0.33 1.53 0.11 0.00 -2.89 0.00 0.00 54.13 53.21 1gr1 s LEU 52 Cb 0.36 -3.53 -0.04 0.00 0.66 0.00 0.00 46.19 43.64 1gr1 s LEU 52 CO -0.07 -1.50 -0.25 -0.54 -1.89 0.00 0.00 176.35 172.09 1gr1 s LYS 53 N 5.23 1.41 0.18 1.98 1.02 -1.26 -5.05 119.74 123.24 1gr1 s LYS 53 Ca 0.78 -1.39 -0.20 0.00 0.02 0.00 0.00 55.97 55.18 1gr1 s LYS 53 Cb -0.25 -1.82 0.05 0.00 -0.52 0.00 0.00 37.83 35.29 1gr1 s LYS 53 CO 0.32 0.42 0.57 1.52 -0.92 0.00 0.00 175.35 177.26 1gr1 s TYR 54 N -1.29 -0.35 0.00 3.18 1.13 -1.26 -4.51 117.35 114.26 1gr1 s TYR 54 Ca 0.15 0.06 0.00 0.00 -1.41 0.00 0.00 57.07 55.88 1gr1 s TYR 54 Cb -0.09 0.50 0.00 0.00 -1.10 0.00 0.00 41.96 41.26 1gr1 s TYR 54 CO 0.07 -0.89 0.00 0.44 -2.51 0.00 0.00 175.55 172.66 1gr1 n ILE 55 N -0.36 0.00 -2.81 -3.49 -5.35 -1.26 -4.34 119.36 101.75 1gr1 n ILE 55 Ca -0.14 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 61.94 1gr1 n ILE 55 Cb 0.63 -0.02 -0.05 0.00 -1.74 0.00 0.00 39.64 38.46 1gr1 n ILE 55 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1gr1 s GLU 56 N -1.52 4.66 0.00 6.28 8.01 -1.26 -3.80 118.70 131.08 1gr1 s GLU 56 Ca 0.00 1.34 0.00 0.00 0.01 0.00 0.00 54.97 56.32 1gr1 s GLU 56 Cb 0.00 -3.35 0.00 0.00 -4.31 0.00 0.00 34.13 26.47 1gr1 s GLU 56 CO 0.00 0.29 0.00 0.41 0.01 0.00 0.00 175.26 175.97 1gr1 n GLY 57 N 2.14 0.65 4.00 -1.39 0.00 -1.26 -4.09 105.19 105.24 1gr1 n GLY 57 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1gr1 n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gr1 s GLN 58 N -0.88 2.57 0.36 1.61 -0.21 -1.25 -4.31 119.66 117.55 1gr1 s GLN 58 Ca 0.00 -1.12 0.05 0.00 0.02 0.00 0.00 55.36 54.31 1gr1 s GLN 58 Cb 0.00 -2.62 -0.07 0.00 1.00 0.00 0.00 33.01 31.32 1gr1 s GLN 58 CO 0.00 -0.59 0.03 -1.12 -2.12 0.00 0.00 175.29 171.49 1gr1 s SER 59 N -4.45 3.02 0.04 5.90 0.01 -0.35 -1.21 113.70 116.67 1gr1 s SER 59 Ca 0.58 -1.36 0.00 0.00 1.31 0.00 0.00 55.95 56.47 1gr1 s SER 59 Cb -0.09 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.89 1gr1 s SER 59 CO 0.37 -0.53 -0.04 0.27 0.41 0.00 0.00 173.24 173.72 1gr1 s ILE 60 N -3.04 0.26 0.15 1.44 -4.36 -0.89 -1.08 121.20 113.69 1gr1 s ILE 60 Ca 0.36 -1.37 -0.16 0.00 -0.26 0.00 0.00 60.65 59.22 1gr1 s ILE 60 Cb 0.09 -0.91 -0.07 0.00 1.25 0.00 0.00 42.46 42.82 1gr1 s ILE 60 CO 0.16 -0.71 0.59 -0.83 0.24 0.00 0.00 174.94 174.39 1gr1 s GLY 61 N -2.18 2.52 -0.11 6.27 0.00 0.65 -1.53 107.32 112.94 1gr1 s GLY 61 Ca -0.04 -0.05 0.02 0.00 0.00 0.00 0.00 44.72 44.66 1gr1 s GLY 61 CO -0.05 0.27 -0.19 -0.42 0.00 0.00 0.00 173.10 172.71 1gr1 s ILE 62 N -1.43 1.75 -0.38 0.90 -1.09 -0.52 -0.98 121.20 119.45 1gr1 s ILE 62 Ca 0.38 -0.81 -0.15 0.00 -2.23 0.00 0.00 60.65 57.83 1gr1 s ILE 62 Cb -0.16 -1.56 0.00 0.00 -1.58 0.00 0.00 42.46 39.17 1gr1 s ILE 62 CO 0.19 0.49 0.36 -0.63 -1.23 0.00 0.00 174.94 174.12 1gr1 s ILE 63 N 0.76 5.17 0.60 2.92 1.01 -0.76 -0.98 121.20 129.92 1gr1 s ILE 63 Ca -0.10 -0.21 -0.15 0.00 0.00 0.00 0.00 60.65 60.19 1gr1 s ILE 63 Cb -0.16 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 1gr1 s ILE 63 CO 0.01 -0.22 1.05 -2.16 0.00 0.00 0.00 174.94 173.63 1gr1 s PRO 64 N 1.96 3.32 0.71 2.79 0.04 -1.26 -4.34 135.00 138.22 1gr1 s PRO 64 Ca 0.10 1.14 -0.11 0.00 0.04 0.00 0.00 61.00 62.16 1gr1 s PRO 64 Cb -0.17 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.35 1gr1 s PRO 64 CO 0.12 -0.80 1.07 -1.25 0.04 0.00 0.00 177.00 176.18 1gr1 s PRO 65 N -4.24 2.85 0.12 0.56 0.04 -1.26 -4.62 135.00 128.44 1gr1 s PRO 65 Ca 0.62 0.69 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1gr1 s PRO 65 Cb -0.15 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1gr1 s PRO 65 CO 0.39 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.75 1gr1 n GLY 66 N -2.47 -3.03 3.55 0.56 0.00 -1.26 -4.86 105.19 97.68 1gr1 n GLY 66 Ca 0.07 -1.91 -0.26 0.00 0.00 0.00 0.00 46.02 43.92 1gr1 n GLY 66 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1gr1 s VAL 67 N -0.63 2.28 0.00 1.61 -7.23 -1.26 -2.43 120.40 112.74 1gr1 s VAL 67 Ca 0.00 -2.19 0.00 0.00 -1.81 0.00 0.00 61.98 57.98 1gr1 s VAL 67 Cb 0.00 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.29 1gr1 s VAL 67 CO 0.00 -0.20 0.00 -0.90 -0.31 0.00 0.00 175.10 173.69 1gr1 n ASP 68 N -0.80 0.00 0.25 4.85 5.68 -0.03 -4.85 116.55 121.65 1gr1 n ASP 68 Ca -0.05 -0.72 0.13 0.00 -0.50 0.00 0.00 54.79 53.66 1gr1 n ASP 68 Cb 0.63 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 41.18 1gr1 n ASP 68 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1gr1 h LYS 69 N 0.00 0.00 -0.01 0.11 2.10 -2.02 -2.46 116.57 114.29 1gr1 h LYS 69 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1gr1 h LYS 69 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1gr1 h LYS 69 CO 0.00 0.12 -0.05 0.09 -2.00 0.00 0.00 179.45 177.61 1gr1 n ASN 70 N -3.28 1.36 0.00 7.07 3.02 -1.26 -4.92 115.26 117.25 1gr1 n ASN 70 Ca 0.00 -1.35 0.00 0.00 -0.03 0.00 0.00 54.58 53.20 1gr1 n ASN 70 Cb 0.37 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 1gr1 n ASN 70 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gr1 n GLY 71 N 1.21 0.84 3.80 7.41 0.00 -0.93 -5.04 105.19 112.48 1gr1 n GLY 71 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1gr1 n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gr1 s LYS 72 N -0.47 4.42 0.60 1.61 -0.14 -1.26 -4.72 119.74 119.79 1gr1 s LYS 72 Ca 0.00 1.22 -0.20 0.00 -1.36 0.00 0.00 55.97 55.63 1gr1 s LYS 72 Cb 0.00 -2.55 -0.03 0.00 -1.68 0.00 0.00 37.83 33.57 1gr1 s LYS 72 CO 0.00 0.16 1.30 -2.30 -0.76 0.00 0.00 175.35 173.75 1gr1 n PRO 73 N 0.07 1.34 -2.42 -1.68 -0.02 -1.26 -0.85 135.00 130.18 1gr1 n PRO 73 Ca 0.04 0.51 -0.37 0.00 -2.02 0.00 0.00 63.50 61.66 1gr1 n PRO 73 Cb 0.52 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 1gr1 n PRO 73 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1gr1 s GLU 74 N -3.13 4.03 0.56 -0.52 0.41 -1.02 -4.73 118.70 114.30 1gr1 s GLU 74 Ca 0.78 1.64 0.02 0.00 -0.41 0.00 0.00 54.97 57.00 1gr1 s GLU 74 Cb -0.40 -2.52 0.05 0.00 -1.78 0.00 0.00 34.13 29.47 1gr1 s GLU 74 CO 0.44 -0.29 0.78 0.15 -0.49 0.00 0.00 175.26 175.85 1gr1 s LYS 75 N -2.52 2.45 0.59 1.61 1.02 -1.26 -4.77 119.74 116.86 1gr1 s LYS 75 Ca 0.59 -0.91 -0.18 0.00 0.02 0.00 0.00 55.97 55.49 1gr1 s LYS 75 Cb -0.25 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 34.52 1gr1 s LYS 75 CO 0.31 -0.77 1.13 -0.48 -0.92 0.00 0.00 175.35 174.62 1gr1 s LEU 76 N -4.76 3.60 -0.03 3.17 0.05 -1.26 -4.35 118.68 115.09 1gr1 s LEU 76 Ca 0.58 2.13 0.07 0.00 0.05 0.00 0.00 54.13 56.97 1gr1 s LEU 76 Cb -0.09 -4.57 -0.02 0.00 -2.05 0.00 0.00 46.19 39.46 1gr1 s LEU 76 CO 0.39 -1.42 -0.25 -0.13 -0.55 0.00 0.00 176.35 174.39 1gr1 s ARG 77 N -3.60 2.12 0.06 1.48 3.00 -0.16 -4.92 118.95 116.93 1gr1 s ARG 77 Ca 0.71 -0.89 -0.20 0.00 0.00 0.00 0.00 55.73 55.34 1gr1 s ARG 77 Cb -0.23 -1.99 -0.06 0.00 0.00 0.00 0.00 34.95 32.66 1gr1 s ARG 77 CO 0.33 0.51 0.59 -0.51 0.00 0.00 0.00 175.30 176.22 1gr1 s LEU 78 N -0.51 4.50 -0.03 2.53 1.43 -1.26 -1.44 118.68 123.90 1gr1 s LEU 78 Ca 0.07 1.27 0.02 0.00 -1.03 0.00 0.00 54.13 54.45 1gr1 s LEU 78 Cb -0.10 -2.94 0.01 0.00 0.03 0.00 0.00 46.19 43.19 1gr1 s LEU 78 CO -0.00 0.22 -0.06 -0.31 0.23 0.00 0.00 176.35 176.42 1gr1 s TYR 79 N -0.84 0.77 0.15 0.29 2.02 -0.58 -4.98 117.35 114.17 1gr1 s TYR 79 Ca 0.30 -0.19 -0.31 0.00 -0.37 0.00 0.00 57.07 56.50 1gr1 s TYR 79 Cb -0.19 -0.60 -0.10 0.00 -0.40 0.00 0.00 41.96 40.67 1gr1 s TYR 79 CO 0.19 -0.12 1.68 -1.12 -1.57 0.00 0.00 175.55 174.61 1gr1 s SER 80 N 0.44 6.51 0.17 2.29 0.01 -1.26 -2.08 113.70 119.77 1gr1 s SER 80 Ca -0.06 2.68 -0.32 0.00 1.31 0.00 0.00 55.95 59.56 1gr1 s SER 80 Cb -0.10 -2.58 -0.10 0.00 0.21 0.00 0.00 66.02 63.44 1gr1 s SER 80 CO 0.00 -0.91 1.62 -0.63 0.41 0.00 0.00 173.24 173.73 1gr1 s ILE 81 N 1.82 2.50 -2.94 1.44 1.01 -0.35 -4.35 121.20 120.32 1gr1 s ILE 81 Ca 0.74 0.33 0.24 0.00 0.00 0.00 0.00 60.65 61.96 1gr1 s ILE 81 Cb -0.45 -3.21 0.19 0.00 0.01 0.00 0.00 42.46 39.00 1gr1 s ILE 81 CO 0.33 0.02 1.26 0.00 0.00 0.00 0.00 174.94 176.55 1gr1 n ALA 82 N 4.14 2.52 -2.54 9.38 0.00 0.17 -4.02 120.51 130.16 1gr1 n ALA 82 Ca 0.15 -0.68 -0.25 0.00 0.00 0.00 0.00 53.44 52.66 1gr1 n ALA 82 Cb 0.38 -0.82 -0.09 0.00 0.00 0.00 0.00 19.45 18.92 1gr1 n ALA 82 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1gr1 s SER 83 N -2.02 4.00 1.04 0.00 1.04 -1.25 -4.20 113.70 112.32 1gr1 s SER 83 Ca 0.28 -1.02 -0.17 0.00 0.48 0.00 0.00 55.95 55.52 1gr1 s SER 83 Cb 0.20 -0.48 0.22 0.00 0.10 0.00 0.00 66.02 66.07 1gr1 s SER 83 CO 0.31 -0.16 1.22 0.42 0.98 0.00 0.00 173.24 176.01 1gr1 s THR 84 N -2.52 1.85 0.60 2.02 -4.23 -1.26 -4.73 115.64 107.37 1gr1 s THR 84 Ca 0.33 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 61.14 1gr1 s THR 84 Cb -0.01 -2.78 0.36 0.00 1.34 0.00 0.00 72.50 71.42 1gr1 s THR 84 CO 0.18 0.00 2.11 0.08 -0.54 0.00 0.00 174.62 176.45 1gr1 h ARG 85 N -1.97 0.00 0.00 3.99 0.11 -1.84 -1.02 114.38 113.65 1gr1 h ARG 85 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 1gr1 h ARG 85 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 1gr1 h ARG 85 CO 0.40 0.00 -0.54 0.72 0.10 0.00 0.00 179.97 180.65 1gr1 n HIS 86 N -3.73 0.05 0.00 4.08 8.25 -1.26 -4.73 115.22 117.87 1gr1 n HIS 86 Ca 0.01 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1gr1 n HIS 86 Cb 0.31 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1gr1 n HIS 86 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gr1 n GLY 87 N 1.48 -1.53 0.25 -1.41 0.00 -0.39 -0.29 105.19 103.31 1gr1 n GLY 87 Ca 0.05 -1.56 0.10 0.00 0.00 0.00 0.00 46.02 44.61 1gr1 n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1gr1 h ASP 88 N 0.00 0.00 -0.36 1.61 3.32 -1.86 -2.03 116.42 117.10 1gr1 h ASP 88 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1gr1 h ASP 88 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1gr1 h ASP 88 CO 0.00 0.16 0.00 0.47 -1.72 0.00 0.00 179.24 178.15 1gr1 n ASP 89 N -3.79 3.09 -4.04 6.45 8.00 -1.26 -4.97 116.55 120.03 1gr1 n ASP 89 Ca -0.02 -1.94 -0.29 0.00 0.71 0.00 0.00 54.79 53.26 1gr1 n ASP 89 Cb 0.27 -0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 1gr1 n ASP 89 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1gr1 n VAL 90 N 1.25 -2.40 0.12 2.53 0.31 -0.76 -4.88 118.33 114.49 1gr1 n VAL 90 Ca 0.19 -0.36 0.01 0.00 -0.01 0.00 0.00 64.34 64.17 1gr1 n VAL 90 Cb 0.55 -2.33 -0.00 0.00 -0.91 0.00 0.00 33.84 31.15 1gr1 n VAL 90 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1gr1 n ASP 91 N -2.89 0.65 -1.81 4.52 5.68 -0.93 -5.00 116.55 116.77 1gr1 n ASP 91 Ca -0.20 -0.83 -0.16 0.00 -0.50 0.00 0.00 54.79 53.10 1gr1 n ASP 91 Cb 0.63 0.52 -0.01 0.00 -1.14 0.00 0.00 41.12 41.12 1gr1 n ASP 91 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1gr1 n ASP 92 N -0.48 -4.79 -0.00 -1.12 8.00 0.61 -4.89 116.55 113.88 1gr1 n ASP 92 Ca 0.01 -0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.53 1gr1 n ASP 92 Cb 0.05 -3.90 -0.03 0.00 -0.02 0.00 0.00 41.12 37.22 1gr1 n ASP 92 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1gr1 n LYS 93 N -2.54 4.75 -4.26 -1.24 5.02 -1.26 -4.99 118.16 113.64 1gr1 n LYS 93 Ca -0.19 -0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 55.94 1gr1 n LYS 93 Cb 0.64 -0.77 -0.10 0.00 -0.02 0.00 0.00 35.03 34.78 1gr1 n LYS 93 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1gr1 s THR 94 N -1.56 0.13 -0.05 -0.18 -4.23 -1.26 -1.00 115.64 107.48 1gr1 s THR 94 Ca 0.01 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.46 1gr1 s THR 94 Cb 0.03 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.37 1gr1 s THR 94 CO 0.19 0.00 0.17 -0.51 -0.54 0.00 0.00 174.62 173.93 1gr1 s ILE 95 N -3.87 0.01 0.13 2.99 2.07 -0.67 -4.18 121.20 117.68 1gr1 s ILE 95 Ca 0.39 -0.12 0.10 0.00 -1.41 0.00 0.00 60.65 59.61 1gr1 s ILE 95 Cb 0.06 -0.28 -0.04 0.00 0.13 0.00 0.00 42.46 42.33 1gr1 s ILE 95 CO 0.16 -0.06 -0.24 -0.44 -1.91 0.00 0.00 174.94 172.45 1gr1 s SER 96 N -0.16 3.49 0.22 4.50 0.01 -1.26 -0.31 113.70 120.20 1gr1 s SER 96 Ca -0.02 -0.69 0.09 0.00 1.31 0.00 0.00 55.95 56.63 1gr1 s SER 96 Cb -0.02 -0.32 -0.05 0.00 0.21 0.00 0.00 66.02 65.84 1gr1 s SER 96 CO 0.00 0.18 -0.17 -0.76 0.41 0.00 0.00 173.24 172.90 1gr1 s LEU 97 N -2.10 2.55 -0.40 2.44 1.43 0.27 -0.65 118.68 122.23 1gr1 s LEU 97 Ca 0.15 -1.00 0.03 0.00 -1.03 0.00 0.00 54.13 52.28 1gr1 s LEU 97 Cb -0.10 -0.84 0.11 0.00 0.03 0.00 0.00 46.19 45.39 1gr1 s LEU 97 CO 0.07 -0.08 0.14 0.00 0.23 0.00 0.00 176.35 176.71 1gr1 s VAL 99 N 0.62 2.93 -0.18 0.00 1.01 -0.49 -4.91 120.40 119.38 1gr1 s VAL 99 Ca 0.13 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 1gr1 s VAL 99 Cb -0.21 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 1gr1 s VAL 99 CO -0.07 0.48 0.17 -0.60 0.00 0.00 0.00 175.10 175.07 1gr1 s ARG 100 N 1.12 4.12 -0.33 2.72 3.52 -1.26 -0.90 118.95 127.93 1gr1 s ARG 100 Ca 0.01 -0.14 -0.29 0.00 -0.13 0.00 0.00 55.73 55.18 1gr1 s ARG 100 Cb -0.14 -3.39 -0.01 0.00 -1.56 0.00 0.00 34.95 29.84 1gr1 s ARG 100 CO -0.03 0.34 1.71 -1.14 -0.81 0.00 0.00 175.30 175.38 1gr1 s GLN 101 N 0.21 3.42 -0.05 5.12 0.74 -0.03 -4.84 119.66 124.23 1gr1 s GLN 101 Ca 0.11 1.36 -0.30 0.00 0.05 0.00 0.00 55.36 56.58 1gr1 s GLN 101 Cb -0.12 -4.15 -0.05 0.00 1.10 0.00 0.00 33.01 29.80 1gr1 s GLN 101 CO 0.00 -1.75 1.45 -1.17 -0.55 0.00 0.00 175.29 173.26 1gr1 s LEU 102 N 6.47 4.29 -0.05 3.68 2.96 -1.26 -4.72 118.68 130.05 1gr1 s LEU 102 Ca 0.76 2.06 -0.05 0.00 -0.22 0.00 0.00 54.13 56.68 1gr1 s LEU 102 Cb -0.21 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 42.94 1gr1 s LEU 102 CO 0.33 -0.79 0.14 -1.83 -1.32 0.00 0.00 176.35 172.88 1gr1 s GLU 103 N 3.10 0.16 0.00 1.98 -1.05 -1.26 -1.03 118.70 120.61 1gr1 s GLU 103 Ca 0.65 0.20 0.00 0.00 -0.15 0.00 0.00 54.97 55.66 1gr1 s GLU 103 Cb -0.30 0.08 0.00 0.00 -0.44 0.00 0.00 34.13 33.47 1gr1 s GLU 103 CO 0.25 -0.02 0.00 2.48 0.95 0.00 0.00 175.26 178.92 1gr1 n TYR 104 N 3.02 -0.08 -1.94 4.83 4.11 -0.47 -4.93 117.16 121.70 1gr1 n TYR 104 Ca -0.13 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.47 1gr1 n TYR 104 Cb 0.59 0.00 0.21 0.00 -0.00 0.00 0.00 39.34 40.14 1gr1 n TYR 104 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 1gr1 n LYS 105 N 0.00 -1.34 -0.04 -3.48 2.85 -1.26 -1.31 118.16 113.58 1gr1 n LYS 105 Ca 0.00 -2.10 -0.14 0.00 -1.05 0.00 0.00 58.31 55.02 1gr1 n LYS 105 Cb 0.00 -1.40 -0.08 0.00 -0.65 0.00 0.00 35.03 32.90 1gr1 n LYS 105 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1gr1 h HIS 106 N -1.79 0.44 0.00 5.58 3.86 -1.52 -3.29 115.15 118.42 1gr1 h HIS 106 Ca -0.44 -0.16 -0.07 0.00 -1.16 0.00 0.00 60.37 58.54 1gr1 h HIS 106 Cb 1.21 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.58 1gr1 h HIS 106 CO 0.00 0.85 -0.03 -0.35 0.86 0.00 0.00 177.93 179.26 1gr1 n PRO 107 N -4.49 0.98 -2.63 2.45 -0.04 -1.26 -1.92 135.00 128.09 1gr1 n PRO 107 Ca -0.07 -0.35 -0.07 0.00 -0.04 0.00 0.00 63.50 62.97 1gr1 n PRO 107 Cb 0.44 -1.53 0.04 0.00 -0.04 0.00 0.00 33.50 32.41 1gr1 n PRO 107 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1gr1 n GLU 108 N 2.23 2.16 -2.19 0.54 -0.58 -1.24 -5.08 120.64 116.49 1gr1 n GLU 108 Ca 0.15 -3.67 -0.01 0.00 -0.42 0.00 0.00 57.16 53.22 1gr1 n GLU 108 Cb 0.46 -1.75 -0.01 0.00 -0.57 0.00 0.00 31.44 29.58 1gr1 n GLU 108 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1gr1 n SER 109 N -0.58 -4.66 0.00 1.62 2.88 -0.81 -4.94 113.62 107.13 1gr1 n SER 109 Ca 0.16 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 1gr1 n SER 109 Cb 0.84 -3.50 0.00 0.00 -0.75 0.00 0.00 64.21 60.80 1gr1 n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1gr1 n GLY 110 N 0.51 0.60 0.00 0.46 0.00 -1.24 -4.96 105.19 100.56 1gr1 n GLY 110 Ca -0.05 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1gr1 n GLY 110 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1gr1 n GLU 111 N 0.00 0.00 -3.22 1.61 -0.00 -1.26 -4.84 120.64 112.93 1gr1 n GLU 111 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.16 56.76 1gr1 n GLU 111 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 31.44 31.37 1gr1 n GLU 111 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1gr1 s THR 112 N 0.00 5.08 -0.13 3.84 2.01 -1.26 -1.31 115.64 123.88 1gr1 s THR 112 Ca 0.00 0.97 -0.10 0.00 0.31 0.00 0.00 61.69 62.87 1gr1 s THR 112 Cb 0.00 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.61 1gr1 s THR 112 CO 0.00 0.14 0.20 -0.69 -0.69 0.00 0.00 174.62 173.57 1gr1 s VAL 113 N 1.89 5.39 -0.16 3.82 1.01 -0.43 -4.90 120.40 127.02 1gr1 s VAL 113 Ca 0.24 0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.54 1gr1 s VAL 113 Cb -0.15 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1gr1 s VAL 113 CO 0.09 0.53 -0.06 -0.31 0.00 0.00 0.00 175.10 175.35 1gr1 s TYR 114 N -0.43 2.96 0.42 5.22 2.02 -1.26 -1.36 117.35 124.92 1gr1 s TYR 114 Ca 0.15 -0.51 -0.26 0.00 -0.37 0.00 0.00 57.07 56.08 1gr1 s TYR 114 Cb -0.13 -1.97 -0.09 0.00 -0.40 0.00 0.00 41.96 39.38 1gr1 s TYR 114 CO 0.04 -0.19 1.36 0.20 -1.57 0.00 0.00 175.55 175.38 1gr1 s GLY 115 N 0.61 2.92 0.01 0.71 0.00 -0.19 -4.95 107.32 106.43 1gr1 s GLY 115 Ca -0.04 1.33 -0.12 0.00 0.00 0.00 0.00 44.72 45.89 1gr1 s GLY 115 CO 0.03 1.93 1.00 -2.08 0.00 0.00 0.00 173.10 173.98 1gr1 h VAL 116 N 2.44 0.00 0.00 1.40 2.07 -1.99 -2.59 116.25 117.58 1gr1 h VAL 116 Ca -0.50 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 1gr1 h VAL 116 Cb 1.25 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1gr1 h VAL 116 CO 0.62 0.00 -0.35 0.00 0.02 0.00 0.00 177.57 177.86 1gr1 h SER 118 N 0.00 0.61 -0.18 0.00 4.64 -1.89 -2.21 113.55 114.52 1gr1 h SER 118 Ca -0.00 -0.60 -0.08 0.00 -0.47 0.00 0.00 61.79 60.64 1gr1 h SER 118 Cb 0.76 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1gr1 h SER 118 CO 0.05 1.44 -0.20 0.74 -0.87 0.00 0.00 176.83 177.99 1gr1 h THR 119 N 0.16 1.34 -0.54 2.95 2.02 -1.44 -1.57 112.91 115.83 1gr1 h THR 119 Ca -0.16 -1.38 0.10 0.00 0.77 0.00 0.00 66.41 65.75 1gr1 h THR 119 Cb 1.92 1.82 -0.08 0.00 -1.74 0.00 0.00 68.15 70.07 1gr1 h THR 119 CO 0.22 0.42 0.04 0.22 0.37 0.00 0.00 175.52 176.78 1gr1 h TYR 120 N 0.11 0.04 -0.10 3.16 3.20 -1.50 -1.81 116.97 120.07 1gr1 h TYR 120 Ca 0.03 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.81 1gr1 h TYR 120 Cb 0.75 0.06 0.01 0.00 1.54 0.00 0.00 36.73 39.09 1gr1 h TYR 120 CO 0.08 -0.09 -0.43 -0.07 -1.64 0.00 0.00 178.16 176.01 1gr1 h LEU 121 N 0.16 0.56 -1.32 2.82 3.38 -1.36 -1.88 115.31 117.67 1gr1 h LEU 121 Ca 0.27 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1gr1 h LEU 121 Cb 0.41 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1gr1 h LEU 121 CO -0.42 1.10 0.00 0.71 0.09 0.00 0.00 178.44 179.92 1gr1 h THR 122 N 0.05 0.00 -0.03 0.22 1.35 -1.08 -2.63 112.91 110.78 1gr1 h THR 122 Ca -0.02 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1gr1 h THR 122 Cb 1.07 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1gr1 h THR 122 CO 0.09 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.77 1gr1 n HIS 123 N -2.67 0.03 -2.25 4.73 8.25 -0.70 -4.97 115.22 117.64 1gr1 n HIS 123 Ca 0.01 -0.03 -0.40 0.00 -0.26 0.00 0.00 57.72 57.04 1gr1 n HIS 123 Cb 0.22 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.31 1gr1 n HIS 123 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1gr1 s ILE 124 N -0.92 3.03 0.03 1.59 2.07 -0.71 -5.01 121.20 121.28 1gr1 s ILE 124 Ca 0.13 0.95 -0.10 0.00 -1.41 0.00 0.00 60.65 60.23 1gr1 s ILE 124 Cb 0.09 -3.58 -0.05 0.00 0.13 0.00 0.00 42.46 39.05 1gr1 s ILE 124 CO 0.14 0.17 0.35 -1.61 -1.91 0.00 0.00 174.94 172.08 1gr1 s GLU 125 N -1.97 3.73 0.08 3.50 0.41 -1.26 -4.86 118.70 118.34 1gr1 s GLU 125 Ca 0.52 0.16 -0.36 0.00 -0.41 0.00 0.00 54.97 54.87 1gr1 s GLU 125 Cb -0.34 -3.09 -0.18 0.00 -1.78 0.00 0.00 34.13 28.74 1gr1 s GLU 125 CO 0.45 0.63 1.16 -2.30 -0.49 0.00 0.00 175.26 174.71 1gr1 n PRO 126 N 1.28 0.70 0.00 0.39 -0.02 -1.26 -1.85 135.00 134.24 1gr1 n PRO 126 Ca -0.11 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1gr1 n PRO 126 Cb 0.53 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 1gr1 n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gr1 n GLY 127 N 2.04 0.58 3.80 -1.23 0.00 0.01 -5.00 105.19 105.39 1gr1 n GLY 127 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1gr1 n GLY 127 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gr1 s SER 128 N -1.89 7.20 0.06 1.61 0.01 -0.77 -4.78 113.70 115.15 1gr1 s SER 128 Ca 0.00 1.73 -0.09 0.00 1.31 0.00 0.00 55.95 58.90 1gr1 s SER 128 Cb 0.00 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.63 1gr1 s SER 128 CO 0.00 -0.12 0.37 -1.61 0.41 0.00 0.00 173.24 172.29 1gr1 s GLU 129 N -2.30 3.73 0.01 12.44 2.02 -1.26 -0.54 118.70 132.79 1gr1 s GLU 129 Ca 0.52 0.13 0.03 0.00 0.02 0.00 0.00 54.97 55.66 1gr1 s GLU 129 Cb -0.16 -3.02 -0.01 0.00 0.10 0.00 0.00 34.13 31.04 1gr1 s GLU 129 CO 0.21 0.58 -0.09 0.08 0.02 0.00 0.00 175.26 176.07 1gr1 s VAL 130 N -1.37 0.66 -0.32 2.63 1.01 -0.12 -4.96 120.40 117.94 1gr1 s VAL 130 Ca 0.32 -0.54 -0.26 0.00 0.00 0.00 0.00 61.98 61.50 1gr1 s VAL 130 Cb -0.14 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.66 1gr1 s VAL 130 CO 0.18 0.06 0.93 -0.54 0.00 0.00 0.00 175.10 175.72 1gr1 s LYS 131 N -0.53 4.00 -0.07 2.72 1.02 -1.26 -1.17 119.74 124.45 1gr1 s LYS 131 Ca 0.01 0.81 0.04 0.00 0.02 0.00 0.00 55.97 56.84 1gr1 s LYS 131 Cb -0.05 -3.74 0.00 0.00 -0.52 0.00 0.00 37.83 33.53 1gr1 s LYS 131 CO 0.00 -0.80 -0.20 0.42 -0.92 0.00 0.00 175.35 173.86 1gr1 s ILE 132 N 3.30 1.69 0.19 2.17 1.01 -0.01 -1.83 121.20 127.71 1gr1 s ILE 132 Ca 0.39 -0.82 0.09 0.00 0.00 0.00 0.00 60.65 60.30 1gr1 s ILE 132 Cb -0.13 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 1gr1 s ILE 132 CO 0.14 0.48 -0.18 0.42 0.00 0.00 0.00 174.94 175.80 1gr1 s THR 133 N 0.27 1.89 -1.96 2.92 -4.23 -0.15 -1.07 115.64 113.30 1gr1 s THR 133 Ca -0.12 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.35 1gr1 s THR 133 Cb -0.15 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 71.74 1gr1 s THR 133 CO 0.05 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 1gr1 n GLY 134 N 0.03 0.58 3.74 3.99 0.00 -0.09 -0.25 105.19 113.19 1gr1 n GLY 134 Ca -0.11 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 1gr1 n GLY 134 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gr1 s PRO 135 N -0.78 0.91 0.05 1.61 0.04 -1.26 -0.76 135.00 134.80 1gr1 s PRO 135 Ca 0.00 0.40 0.01 0.00 0.04 0.00 0.00 61.00 61.44 1gr1 s PRO 135 Cb 0.00 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 1gr1 s PRO 135 CO 0.00 -2.38 -0.05 0.14 0.04 0.00 0.00 177.00 174.75 1gr1 s VAL 136 N -3.15 0.37 0.00 -0.36 -7.23 -0.24 -0.39 120.40 109.40 1gr1 s VAL 136 Ca 0.64 -1.47 0.00 0.00 -1.81 0.00 0.00 61.98 59.34 1gr1 s VAL 136 Cb -0.16 -1.06 0.00 0.00 0.56 0.00 0.00 36.38 35.72 1gr1 s VAL 136 CO 0.55 -0.72 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 1gr1 n GLY 137 N 0.72 2.74 0.04 2.32 0.00 -1.26 -1.21 105.19 108.54 1gr1 n GLY 137 Ca -0.18 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1gr1 n GLY 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gr1 n LYS 138 N 1.53 1.04 0.16 1.61 5.02 -1.26 -4.74 118.16 121.52 1gr1 n LYS 138 Ca 0.00 -0.97 0.05 0.00 -2.02 0.00 0.00 58.31 55.37 1gr1 n LYS 138 Cb 0.00 -0.71 0.06 0.00 -0.02 0.00 0.00 35.03 34.36 1gr1 n LYS 138 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1gr1 h LYS 139 N 0.00 0.00 -0.17 1.97 1.57 -1.95 -3.37 116.57 114.62 1gr1 h LYS 139 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1gr1 h LYS 139 Cb 0.87 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.01 1gr1 h LYS 139 CO 0.00 0.36 -0.68 -1.33 -0.57 0.00 0.00 179.45 177.23 1gr1 n MET 140 N -3.18 1.76 -2.57 3.15 2.81 -1.26 -4.48 117.12 113.35 1gr1 n MET 140 Ca 0.02 -3.29 -0.35 0.00 -1.81 0.00 0.00 57.70 52.28 1gr1 n MET 140 Cb 0.68 -1.51 -0.04 0.00 -0.71 0.00 0.00 33.22 31.65 1gr1 n MET 140 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1gr1 s LEU 141 N -2.85 3.93 -0.11 4.03 1.43 -1.26 -4.20 118.68 119.65 1gr1 s LEU 141 Ca 0.39 1.94 -0.18 0.00 -1.03 0.00 0.00 54.13 55.25 1gr1 s LEU 141 Cb 0.38 -4.46 -0.04 0.00 0.03 0.00 0.00 46.19 42.10 1gr1 s LEU 141 CO -0.06 -0.67 0.47 -0.22 0.23 0.00 0.00 176.35 176.10 1gr1 s LEU 142 N -3.23 4.29 0.51 1.79 2.96 -1.26 -5.04 118.68 118.69 1gr1 s LEU 142 Ca 0.64 0.82 -0.22 0.00 -0.22 0.00 0.00 54.13 55.15 1gr1 s LEU 142 Cb -0.17 -2.68 -0.06 0.00 0.50 0.00 0.00 46.19 43.78 1gr1 s LEU 142 CO 0.21 0.02 1.29 -2.16 -1.32 0.00 0.00 176.35 174.39 1gr1 s PRO 143 N 0.53 3.40 0.00 0.98 0.04 -1.26 -4.91 135.00 133.78 1gr1 s PRO 143 Ca 0.26 2.07 0.29 0.00 0.04 0.00 0.00 61.00 63.66 1gr1 s PRO 143 Cb -0.15 -2.33 1.37 0.00 0.04 0.00 0.00 34.50 33.42 1gr1 s PRO 143 CO 0.10 -0.93 1.95 -0.25 0.04 0.00 0.00 177.00 177.91 1gr1 n ASP 144 N -0.78 0.29 -4.63 6.66 8.00 -1.26 -4.79 116.55 120.04 1gr1 n ASP 144 Ca 0.09 -0.47 -0.43 0.00 0.71 0.00 0.00 54.79 54.69 1gr1 n ASP 144 Cb 0.46 -0.13 -0.02 0.00 -0.02 0.00 0.00 41.12 41.40 1gr1 n ASP 144 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1gr1 s ASP 145 N -2.47 6.56 0.53 -2.24 -1.08 -1.26 -4.89 116.67 111.82 1gr1 s ASP 145 Ca 0.30 1.36 0.34 0.00 -0.52 0.00 0.00 52.55 54.03 1gr1 s ASP 145 Cb 0.20 -2.54 1.46 0.00 -1.46 0.00 0.00 42.92 40.59 1gr1 s ASP 145 CO 0.46 -1.15 2.00 -0.65 0.52 0.00 0.00 175.17 176.36 1gr1 h PRO 146 N 9.83 0.00 -0.48 4.34 0.11 -1.89 -1.91 132.00 142.00 1gr1 h PRO 146 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1gr1 h PRO 146 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1gr1 h PRO 146 CO 1.02 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.20 1gr1 n GLU 147 N -2.98 2.15 -2.30 1.05 1.02 -1.26 -1.14 120.64 117.17 1gr1 n GLU 147 Ca 0.00 -1.78 -0.37 0.00 -0.02 0.00 0.00 57.16 55.00 1gr1 n GLU 147 Cb 0.26 -1.39 -0.01 0.00 -0.02 0.00 0.00 31.44 30.28 1gr1 n GLU 147 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gr1 s ALA 148 N -1.36 2.99 -0.04 0.62 0.00 -0.72 -4.64 121.76 118.62 1gr1 s ALA 148 Ca 0.33 0.90 -0.09 0.00 0.00 0.00 0.00 51.96 53.10 1gr1 s ALA 148 Cb 0.17 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 1gr1 s ALA 148 CO 0.23 -0.59 0.27 -0.80 0.00 0.00 0.00 175.76 174.87 1gr1 s ASN 149 N -1.39 6.56 -0.29 0.00 0.02 -1.22 -3.64 114.94 114.98 1gr1 s ASN 149 Ca 0.63 0.66 -0.01 0.00 -1.02 0.00 0.00 52.86 53.12 1gr1 s ASN 149 Cb -0.28 -2.14 0.09 0.00 0.02 0.00 0.00 41.25 38.95 1gr1 s ASN 149 CO 0.34 0.33 0.08 -0.69 0.02 0.00 0.00 177.10 177.18 1gr1 s VAL 150 N -1.14 0.80 -0.04 1.60 1.01 -0.30 -0.58 120.40 121.76 1gr1 s VAL 150 Ca 0.22 -1.24 -0.21 0.00 0.00 0.00 0.00 61.98 60.75 1gr1 s VAL 150 Cb -0.14 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 1gr1 s VAL 150 CO 0.11 -0.59 0.61 -0.63 0.00 0.00 0.00 175.10 174.60 1gr1 s ILE 151 N 1.67 5.00 -0.29 2.22 1.01 -0.31 -1.66 121.20 128.84 1gr1 s ILE 151 Ca 0.08 1.27 0.00 0.00 0.00 0.00 0.00 60.65 61.99 1gr1 s ILE 151 Cb -0.17 -3.95 0.09 0.00 0.01 0.00 0.00 42.46 38.43 1gr1 s ILE 151 CO -0.23 0.35 0.04 -0.04 0.00 0.00 0.00 174.94 175.07 1gr1 s MET 152 N 0.27 1.09 -0.41 2.79 -1.94 0.31 -0.83 119.30 120.58 1gr1 s MET 152 Ca 0.32 -1.16 -0.15 0.00 -1.71 0.00 0.00 55.69 52.99 1gr1 s MET 152 Cb -0.18 -2.40 0.02 0.00 2.01 0.00 0.00 34.83 34.28 1gr1 s MET 152 CO 0.16 -0.85 0.30 -0.51 -0.01 0.00 0.00 175.02 174.12 1gr1 s LEU 153 N 1.43 5.05 0.01 -0.03 1.43 0.09 -1.24 118.68 125.44 1gr1 s LEU 153 Ca 0.05 -0.85 0.02 0.00 -1.03 0.00 0.00 54.13 52.32 1gr1 s LEU 153 Cb -0.18 -2.17 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 1gr1 s LEU 153 CO -0.15 -0.44 -0.07 0.00 0.23 0.00 0.00 176.35 175.91 1gr1 s ALA 154 N 1.71 0.56 0.04 4.21 0.00 -0.45 -2.05 121.76 125.78 1gr1 s ALA 154 Ca 0.05 -0.45 0.05 0.00 0.00 0.00 0.00 51.96 51.62 1gr1 s ALA 154 Cb -0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1gr1 s ALA 154 CO 0.10 0.08 -0.14 0.95 0.00 0.00 0.00 175.76 176.75 1gr1 s THR 155 N -0.57 1.14 0.00 0.00 -4.23 -1.06 -0.70 115.64 110.22 1gr1 s THR 155 Ca -0.02 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 1gr1 s THR 155 Cb -0.05 -1.04 0.00 0.00 1.34 0.00 0.00 72.50 72.75 1gr1 s THR 155 CO 0.00 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1gr1 n GLY 156 N 1.85 3.11 0.10 3.99 0.00 -0.75 -1.46 105.19 112.04 1gr1 n GLY 156 Ca -0.18 0.27 0.14 0.00 0.00 0.00 0.00 46.02 46.25 1gr1 n GLY 156 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gr1 n THR 157 N 0.00 0.00 0.46 2.61 -2.24 -1.26 -2.86 114.28 110.99 1gr1 n THR 157 Ca 0.00 -0.05 0.04 0.00 -2.27 0.00 0.00 64.05 61.77 1gr1 n THR 157 Cb 0.00 -0.08 0.23 0.00 -2.10 0.00 0.00 70.33 68.38 1gr1 n THR 157 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gr1 n GLY 158 N 1.33 -0.46 0.27 3.38 0.00 -0.53 -1.60 105.19 107.57 1gr1 n GLY 158 Ca 0.13 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1gr1 n GLY 158 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gr1 h ILE 159 N 0.00 0.74 -0.16 -0.61 6.09 -1.71 -3.36 117.51 118.50 1gr1 h ILE 159 Ca 0.00 -0.30 0.01 0.00 -1.37 0.00 0.00 64.86 63.20 1gr1 h ILE 159 Cb 0.05 1.18 -0.01 0.00 0.47 0.00 0.00 36.82 38.51 1gr1 h ILE 159 CO 0.00 0.08 0.07 0.00 -3.07 0.00 0.00 178.15 175.23 1gr1 h ALA 160 N 1.92 0.18 -0.17 0.18 0.00 -1.59 0.25 119.26 120.04 1gr1 h ALA 160 Ca -0.00 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1gr1 h ALA 160 Cb 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1gr1 h ALA 160 CO 0.01 -0.36 -0.23 -1.00 0.00 0.00 0.00 179.25 177.67 1gr1 h PRO 161 N 0.16 0.30 -0.80 0.00 0.13 -1.71 -2.65 132.00 127.43 1gr1 h PRO 161 Ca 0.06 -0.10 -0.03 0.00 -0.87 0.00 0.00 66.00 65.07 1gr1 h PRO 161 Cb 0.02 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.08 1gr1 h PRO 161 CO -0.05 0.52 0.40 0.52 -0.23 0.00 0.00 178.00 179.16 1gr1 h MET 162 N 0.27 1.15 -0.16 0.86 2.86 -1.26 -2.37 114.93 116.27 1gr1 h MET 162 Ca 0.04 -0.16 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 1gr1 h MET 162 Cb 0.56 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1gr1 h MET 162 CO 0.04 0.87 -0.22 -0.09 1.06 0.00 0.00 176.91 178.57 1gr1 h ARG 163 N 1.14 0.28 -0.03 1.72 2.43 -0.23 -0.37 114.38 119.33 1gr1 h ARG 163 Ca 0.28 -0.09 -0.16 0.00 -0.81 0.00 0.00 59.98 59.20 1gr1 h ARG 163 Cb 0.09 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1gr1 h ARG 163 CO -0.04 0.50 -0.73 1.79 -1.51 0.00 0.00 179.97 179.98 1gr1 h THR 164 N 0.26 1.45 -0.02 0.20 1.35 -1.22 -1.31 112.91 113.62 1gr1 h THR 164 Ca 0.04 -2.32 -0.01 0.00 -0.55 0.00 0.00 66.41 63.57 1gr1 h THR 164 Cb 0.54 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 1gr1 h THR 164 CO 0.04 0.67 -0.04 1.88 -0.25 0.00 0.00 175.52 177.83 1gr1 h TYR 165 N 0.11 0.07 -0.50 4.73 0.05 -0.92 -3.07 116.97 117.43 1gr1 h TYR 165 Ca -0.02 -0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.62 1gr1 h TYR 165 Cb 1.28 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.99 1gr1 h TYR 165 CO 0.02 0.61 -0.13 -0.07 -1.05 0.00 0.00 178.16 177.54 1gr1 h LEU 166 N -0.49 0.96 -0.48 3.88 3.38 -1.05 -1.70 115.31 119.81 1gr1 h LEU 166 Ca 0.00 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.55 1gr1 h LEU 166 Cb 0.61 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1gr1 h LEU 166 CO 0.01 1.09 -0.11 -0.50 0.09 0.00 0.00 178.44 179.02 1gr1 h TRP 167 N 0.85 1.04 -0.25 1.13 -0.00 -1.35 -0.01 115.95 117.35 1gr1 h TRP 167 Ca 0.13 -0.22 -0.09 0.00 -0.00 0.00 0.00 58.89 58.71 1gr1 h TRP 167 Cb 0.68 -0.25 -0.01 0.00 -0.00 0.00 0.00 29.16 29.57 1gr1 h TRP 167 CO 0.04 1.00 -0.21 -0.09 -0.00 0.00 0.00 178.44 179.18 1gr1 h ARG 168 N 0.77 0.46 -0.08 0.49 2.43 -1.40 -1.92 114.38 115.14 1gr1 h ARG 168 Ca 0.12 -0.16 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 1gr1 h ARG 168 Cb 0.66 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1gr1 h ARG 168 CO 0.05 0.65 -0.37 0.52 -1.51 0.00 0.00 179.97 179.31 1gr1 h MET 169 N 0.41 0.39 0.00 0.20 2.86 -1.08 -3.40 114.93 114.30 1gr1 h MET 169 Ca 0.07 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1gr1 h MET 169 Cb 0.60 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1gr1 h MET 169 CO 0.04 0.95 0.00 1.19 1.06 0.00 0.00 176.91 180.15 1gr1 n PHE 170 N -4.37 0.00 -2.81 -0.22 3.72 -0.04 -4.47 117.46 109.27 1gr1 n PHE 170 Ca -0.08 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.91 1gr1 n PHE 170 Cb 0.53 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.03 1gr1 n PHE 170 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1gr1 s LYS 171 N -0.57 4.55 0.25 -1.08 -0.14 -0.73 -4.95 119.74 117.07 1gr1 s LYS 171 Ca 0.00 1.28 -0.04 0.00 -1.36 0.00 0.00 55.97 55.86 1gr1 s LYS 171 Cb 0.00 -3.43 0.44 0.00 -1.68 0.00 0.00 37.83 33.16 1gr1 s LYS 171 CO 0.00 0.06 1.77 -0.44 -0.76 0.00 0.00 175.35 175.98 1gr1 h ASP 172 N 6.45 0.50 0.62 2.83 3.32 -1.94 -0.03 116.42 128.17 1gr1 h ASP 172 Ca -0.42 0.08 -0.10 0.00 0.02 0.00 0.00 57.03 56.62 1gr1 h ASP 172 Cb 1.21 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1gr1 h ASP 172 CO 0.74 0.25 -0.46 0.00 -1.72 0.00 0.00 179.24 178.05 1gr1 h ALA 173 N 1.50 1.09 -0.08 3.45 0.00 -1.94 -2.33 119.26 120.95 1gr1 h ALA 173 Ca 0.41 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1gr1 h ALA 173 Cb 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1gr1 h ALA 173 CO -0.32 0.57 -0.28 0.93 0.00 0.00 0.00 179.25 180.15 1gr1 h GLU 174 N 0.00 0.32 -0.59 0.00 4.39 -1.34 -2.68 114.58 114.68 1gr1 h GLU 174 Ca -0.00 -0.25 0.08 0.00 0.34 0.00 0.00 59.36 59.53 1gr1 h GLU 174 Cb 0.89 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.52 1gr1 h GLU 174 CO 0.06 0.88 0.23 0.00 -1.16 0.00 0.00 179.01 179.02 1gr1 h ARG 175 N -0.16 0.42 0.00 2.33 3.08 -0.98 0.18 114.38 119.24 1gr1 h ARG 175 Ca -0.01 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1gr1 h ARG 175 Cb 0.91 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 1gr1 h ARG 175 CO 0.06 0.27 -0.23 0.00 -1.07 0.00 0.00 179.97 179.01 1gr1 h ALA 176 N 1.39 1.35 0.00 0.04 0.00 -1.48 -2.72 119.26 117.83 1gr1 h ALA 176 Ca 0.29 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1gr1 h ALA 176 Cb 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1gr1 h ALA 176 CO -0.27 0.28 -0.92 0.00 0.00 0.00 0.00 179.25 178.34 1gr1 n ALA 177 N -2.37 2.91 -3.85 0.00 0.00 -0.37 -4.53 120.51 112.31 1gr1 n ALA 177 Ca -0.02 -0.30 -0.28 0.00 0.00 0.00 0.00 53.44 52.85 1gr1 n ALA 177 Cb 0.32 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.57 1gr1 n ALA 177 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1gr1 n ASN 178 N -2.27 2.91 -0.12 0.00 3.02 0.49 -4.93 115.26 114.37 1gr1 n ASN 178 Ca 0.01 -3.19 0.21 0.00 -0.03 0.00 0.00 54.58 51.58 1gr1 n ASN 178 Cb 0.48 -0.75 0.63 0.00 -0.61 0.00 0.00 39.78 39.53 1gr1 n ASN 178 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1gr1 h PRO 179 N 5.32 0.15 0.02 3.52 0.11 -1.80 -1.54 132.00 137.78 1gr1 h PRO 179 Ca 0.16 -0.01 -0.23 0.00 0.11 0.00 0.00 66.00 66.03 1gr1 h PRO 179 Cb 0.75 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.80 1gr1 h PRO 179 CO 0.71 0.10 -1.15 0.93 -0.21 0.00 0.00 178.00 178.38 1gr1 h GLU 180 N 0.16 0.03 -3.83 1.05 4.39 -1.91 -3.41 114.58 111.07 1gr1 h GLU 180 Ca 0.35 -0.06 -0.74 0.00 0.34 0.00 0.00 59.36 59.25 1gr1 h GLU 180 Cb 1.16 0.02 -0.30 0.00 -0.10 0.00 0.00 28.75 29.53 1gr1 h GLU 180 CO -0.06 0.95 -0.17 -0.47 -1.16 0.00 0.00 179.01 178.10 1gr1 s TYR 181 N -2.68 3.55 -0.70 4.33 5.04 -0.58 -4.91 117.35 121.40 1gr1 s TYR 181 Ca -0.01 -2.21 0.00 0.00 -2.44 0.00 0.00 57.07 52.42 1gr1 s TYR 181 Cb 0.09 -3.54 0.17 0.00 0.35 0.00 0.00 41.96 39.04 1gr1 s TYR 181 CO 0.83 -0.94 0.52 -0.65 -1.34 0.00 0.00 175.55 173.97 1gr1 s GLN 182 N 0.34 2.65 0.24 4.97 -1.52 -1.26 -4.79 119.66 120.28 1gr1 s GLN 182 Ca 0.15 -2.95 -0.31 0.00 -1.95 0.00 0.00 55.36 50.29 1gr1 s GLN 182 Cb -0.17 -3.65 -0.13 0.00 -0.22 0.00 0.00 33.01 28.83 1gr1 s GLN 182 CO -0.05 -1.21 1.47 0.34 -0.25 0.00 0.00 175.29 175.59 1gr1 n PHE 183 N 2.74 2.32 -1.27 0.91 7.35 -1.26 -4.86 117.46 123.38 1gr1 n PHE 183 Ca 0.14 0.37 0.00 0.00 -0.76 0.00 0.00 57.45 57.20 1gr1 n PHE 183 Cb 0.36 -2.50 0.00 0.00 0.35 0.00 0.00 39.48 37.69 1gr1 n PHE 183 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1gr1 n LYS 184 N 2.30 0.00 0.00 -4.13 2.85 -0.29 -5.05 118.16 113.83 1gr1 n LYS 184 Ca 0.12 -0.59 0.00 0.00 -1.05 0.00 0.00 58.31 56.79 1gr1 n LYS 184 Cb 0.32 -0.48 0.00 0.00 -0.65 0.00 0.00 35.03 34.22 1gr1 n LYS 184 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1gr1 n GLY 185 N 0.00 0.24 3.24 2.58 0.00 -0.54 -4.89 105.19 105.81 1gr1 n GLY 185 Ca 0.00 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.15 1gr1 n GLY 185 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1gr1 s PHE 186 N 0.15 2.04 0.01 1.61 5.36 -1.24 -4.65 117.98 121.26 1gr1 s PHE 186 Ca 0.00 -0.44 0.04 0.00 -0.96 0.00 0.00 56.93 55.56 1gr1 s PHE 186 Cb 0.00 -1.32 -0.01 0.00 -0.34 0.00 0.00 43.02 41.34 1gr1 s PHE 186 CO 0.00 -0.08 -0.12 -1.54 -1.46 0.00 0.00 175.22 172.02 1gr1 s SER 187 N -0.41 1.40 -0.15 6.13 1.04 0.38 -1.15 113.70 120.95 1gr1 s SER 187 Ca 0.05 -0.33 -0.04 0.00 0.48 0.00 0.00 55.95 56.12 1gr1 s SER 187 Cb -0.10 -0.11 0.05 0.00 0.10 0.00 0.00 66.02 65.96 1gr1 s SER 187 CO 0.00 0.07 0.07 0.86 0.98 0.00 0.00 173.24 175.22 1gr1 s TRP 188 N -0.58 0.34 -0.27 5.02 -0.11 -0.66 -1.18 118.94 121.50 1gr1 s TRP 188 Ca 0.02 -0.31 -0.10 0.00 1.22 0.00 0.00 56.10 56.94 1gr1 s TRP 188 Cb -0.06 -0.72 -0.04 0.00 -1.50 0.00 0.00 33.47 31.15 1gr1 s TRP 188 CO 0.00 -0.47 0.15 -1.17 -4.62 0.00 0.00 176.95 170.84 1gr1 s LEU 189 N 2.09 3.82 -0.36 5.86 2.96 -0.44 -0.53 118.68 132.08 1gr1 s LEU 189 Ca 0.02 -0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 53.74 1gr1 s LEU 189 Cb -0.15 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.50 1gr1 s LEU 189 CO -0.08 -0.05 0.20 -0.69 -1.32 0.00 0.00 176.35 174.42 1gr1 s VAL 190 N 1.71 4.68 -0.16 1.68 1.01 -0.37 -0.31 120.40 128.64 1gr1 s VAL 190 Ca 0.07 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1gr1 s VAL 190 Cb -0.16 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1gr1 s VAL 190 CO 0.08 -0.14 -0.17 0.12 0.00 0.00 0.00 175.10 174.99 1gr1 s PHE 191 N 1.59 2.76 -0.22 5.22 5.36 -0.10 -1.33 117.98 131.25 1gr1 s PHE 191 Ca 0.03 -1.22 -0.03 0.00 -0.96 0.00 0.00 56.93 54.75 1gr1 s PHE 191 Cb -0.18 -1.89 -0.00 0.00 -0.34 0.00 0.00 43.02 40.61 1gr1 s PHE 191 CO 0.07 -0.57 -0.06 0.20 -1.46 0.00 0.00 175.22 173.40 1gr1 s GLY 192 N 0.94 1.59 0.19 13.12 0.00 0.13 -1.14 107.32 122.14 1gr1 s GLY 192 Ca -0.03 -1.21 -0.06 0.00 0.00 0.00 0.00 44.72 43.42 1gr1 s GLY 192 CO -0.03 0.43 0.24 -1.34 0.00 0.00 0.00 173.10 172.40 1gr1 s VAL 193 N 1.44 0.04 0.02 1.40 -7.23 -0.94 -1.80 120.40 113.33 1gr1 s VAL 193 Ca 0.05 -1.66 0.06 0.00 -1.81 0.00 0.00 61.98 58.63 1gr1 s VAL 193 Cb -0.14 -2.14 -0.24 0.00 0.56 0.00 0.00 36.38 34.42 1gr1 s VAL 193 CO -0.04 -0.18 0.90 1.55 -0.31 0.00 0.00 175.10 177.02 1gr1 h PRO 194 N 2.56 0.07 -4.92 4.82 0.13 -1.87 -2.84 132.00 129.94 1gr1 h PRO 194 Ca -0.32 -0.12 -0.44 0.00 -0.87 0.00 0.00 66.00 64.25 1gr1 h PRO 194 Cb 1.23 0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.27 1gr1 h PRO 194 CO 0.49 0.83 -0.55 0.95 -0.23 0.00 0.00 178.00 179.49 1gr1 s THR 195 N -2.64 0.40 0.11 1.56 -4.23 -1.26 -1.62 115.64 107.96 1gr1 s THR 195 Ca -0.04 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.36 1gr1 s THR 195 Cb 0.08 -2.50 -0.15 0.00 1.34 0.00 0.00 72.50 71.27 1gr1 s THR 195 CO 0.83 0.00 1.32 0.74 -0.54 0.00 0.00 174.62 176.97 1gr1 h THR 196 N 2.14 1.29 0.00 3.99 2.02 -1.93 -2.49 112.91 117.93 1gr1 h THR 196 Ca -0.34 -2.01 0.00 0.00 0.77 0.00 0.00 66.41 64.84 1gr1 h THR 196 Cb 1.25 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.67 1gr1 h THR 196 CO 0.53 0.63 0.00 -0.81 0.37 0.00 0.00 175.52 176.24 1gr1 n PRO 197 N -3.92 0.02 -0.11 6.66 -0.04 -1.26 -1.71 135.00 134.64 1gr1 n PRO 197 Ca -0.07 0.36 0.12 0.00 -0.04 0.00 0.00 63.50 63.87 1gr1 n PRO 197 Cb 0.75 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.95 1gr1 n PRO 197 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1gr1 n ASN 198 N -1.46 2.86 -4.55 3.54 4.13 -0.94 -1.24 115.26 117.59 1gr1 n ASN 198 Ca 0.02 -1.90 -0.40 0.00 1.68 0.00 0.00 54.58 53.97 1gr1 n ASN 198 Cb 0.07 -0.15 -0.03 0.00 -1.54 0.00 0.00 39.78 38.13 1gr1 n ASN 198 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1gr1 s ILE 199 N -1.70 3.72 0.20 2.41 1.01 -0.69 -4.82 121.20 121.33 1gr1 s ILE 199 Ca 0.35 0.10 -0.31 0.00 0.00 0.00 0.00 60.65 60.79 1gr1 s ILE 199 Cb 0.21 -4.83 -0.10 0.00 0.01 0.00 0.00 42.46 37.75 1gr1 s ILE 199 CO 0.30 -1.76 1.46 -0.76 0.00 0.00 0.00 174.94 174.19 1gr1 s LEU 200 N 6.02 4.38 -1.46 2.97 1.43 -1.26 -2.90 118.68 127.86 1gr1 s LEU 200 Ca 0.42 2.58 -0.09 0.00 -1.03 0.00 0.00 54.13 56.01 1gr1 s LEU 200 Cb -0.07 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.58 1gr1 s LEU 200 CO 0.09 -0.72 0.88 -1.22 0.23 0.00 0.00 176.35 175.61 1gr1 n TYR 201 N 3.10 -2.35 -0.06 0.29 4.01 -1.26 -4.92 117.16 115.97 1gr1 n TYR 201 Ca 0.10 0.77 -0.10 0.00 -0.16 0.00 0.00 57.90 58.51 1gr1 n TYR 201 Cb 0.40 -4.42 -0.03 0.00 -0.31 0.00 0.00 39.34 34.98 1gr1 n TYR 201 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1gr1 h LYS 202 N -1.96 0.30 -0.54 -0.72 3.64 -1.91 -0.02 116.57 115.36 1gr1 h LYS 202 Ca -0.54 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 58.82 1gr1 h LYS 202 Cb 1.36 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.09 1gr1 h LYS 202 CO 0.59 0.25 0.34 0.93 -2.27 0.00 0.00 179.45 179.29 1gr1 h GLU 203 N 0.27 0.66 0.00 1.90 3.07 -1.91 -0.66 114.58 117.90 1gr1 h GLU 203 Ca 0.08 -0.04 -0.18 0.00 -0.50 0.00 0.00 59.36 58.72 1gr1 h GLU 203 Cb 0.03 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 27.77 1gr1 h GLU 203 CO -0.01 0.43 -0.85 0.93 -1.40 0.00 0.00 179.01 178.11 1gr1 h GLU 204 N 0.68 0.00 -0.25 2.33 5.08 -1.92 -1.14 114.58 119.35 1gr1 h GLU 204 Ca 0.21 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1gr1 h GLU 204 Cb -0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1gr1 h GLU 204 CO -0.08 0.85 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.71 1gr1 h LEU 205 N 0.00 0.44 -0.71 1.33 3.38 -0.67 -1.72 115.31 117.36 1gr1 h LEU 205 Ca -0.01 -0.31 -0.14 0.00 0.09 0.00 0.00 57.88 57.51 1gr1 h LEU 205 Cb 1.63 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 1gr1 h LEU 205 CO 0.11 0.65 -0.51 -0.33 0.09 0.00 0.00 178.44 178.44 1gr1 h GLU 206 N 0.22 0.34 -0.52 1.13 5.08 -1.04 -2.38 114.58 117.41 1gr1 h GLU 206 Ca 0.07 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.12 1gr1 h GLU 206 Cb 0.43 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1gr1 h GLU 206 CO 0.01 0.77 -0.11 1.49 -1.00 0.00 0.00 179.01 180.18 1gr1 h GLU 207 N 0.27 0.98 -0.77 2.33 4.81 -1.16 -1.83 114.58 119.20 1gr1 h GLU 207 Ca 0.01 -0.35 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1gr1 h GLU 207 Cb 1.00 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.27 1gr1 h GLU 207 CO 0.09 1.02 0.48 0.82 -0.73 0.00 0.00 179.01 180.68 1gr1 h ILE 208 N 0.87 1.21 0.00 2.32 2.04 -0.97 -1.91 117.51 121.07 1gr1 h ILE 208 Ca 0.14 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1gr1 h ILE 208 Cb 0.66 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1gr1 h ILE 208 CO 0.05 0.21 0.00 -0.61 0.00 0.00 0.00 178.15 177.80 1gr1 h GLN 209 N 1.05 0.00 0.10 2.37 4.15 -0.90 -1.84 115.11 120.04 1gr1 h GLN 209 Ca 0.28 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.51 1gr1 h GLN 209 Cb -0.07 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.64 1gr1 h GLN 209 CO -0.05 0.00 -0.80 1.96 -1.93 0.00 0.00 178.83 178.01 1gr1 h GLN 210 N 0.00 0.36 -0.38 1.69 1.08 -0.60 -3.12 115.11 114.14 1gr1 h GLN 210 Ca 0.00 -0.52 -0.13 0.00 -1.45 0.00 0.00 58.65 56.55 1gr1 h GLN 210 Cb 0.66 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.26 1gr1 h GLN 210 CO 0.00 1.22 -0.29 0.87 -0.95 0.00 0.00 178.83 179.68 1gr1 h LYS 211 N -0.23 0.80 -2.16 1.46 1.57 -1.28 -3.38 116.57 113.35 1gr1 h LYS 211 Ca -0.13 -0.36 -0.56 0.00 -1.87 0.00 0.00 60.65 57.73 1gr1 h LYS 211 Cb 1.58 -0.02 -0.41 0.00 0.08 0.00 0.00 32.23 33.46 1gr1 h LYS 211 CO 0.15 0.99 -0.83 0.66 -0.57 0.00 0.00 179.45 179.85 1gr1 n TYR 212 N -4.08 2.41 0.30 -1.35 4.01 -0.70 -4.91 117.16 112.83 1gr1 n TYR 212 Ca -0.01 -3.93 0.17 0.00 -0.16 0.00 0.00 57.90 53.97 1gr1 n TYR 212 Cb 0.48 -0.47 0.77 0.00 -0.31 0.00 0.00 39.34 39.81 1gr1 n TYR 212 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1gr1 h PRO 213 N 3.38 0.00 -0.00 -0.72 0.13 -1.73 -0.14 132.00 132.93 1gr1 h PRO 213 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1gr1 h PRO 213 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1gr1 h PRO 213 CO 0.70 0.00 -0.91 -0.25 -0.23 0.00 0.00 178.00 177.31 1gr1 n ASP 214 N -2.75 1.05 -0.00 1.44 8.00 -1.26 -4.39 116.55 118.63 1gr1 n ASP 214 Ca -0.00 -0.98 0.01 0.00 0.71 0.00 0.00 54.79 54.53 1gr1 n ASP 214 Cb 0.18 0.89 -0.02 0.00 -0.02 0.00 0.00 41.12 42.15 1gr1 n ASP 214 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1gr1 n ASN 215 N -1.37 2.68 -3.81 -2.24 4.13 -0.68 -4.87 115.26 109.12 1gr1 n ASN 215 Ca 0.05 -0.23 -0.21 0.00 1.68 0.00 0.00 54.58 55.87 1gr1 n ASN 215 Cb 0.34 1.06 -0.17 0.00 -1.54 0.00 0.00 39.78 39.47 1gr1 n ASN 215 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1gr1 s PHE 216 N -1.77 0.61 -0.16 3.10 5.36 -0.15 -0.47 117.98 124.49 1gr1 s PHE 216 Ca -0.00 -0.13 -0.02 0.00 -0.96 0.00 0.00 56.93 55.81 1gr1 s PHE 216 Cb 0.02 -0.69 -0.02 0.00 -0.34 0.00 0.00 43.02 41.99 1gr1 s PHE 216 CO 0.09 -0.25 -0.08 0.50 -1.46 0.00 0.00 175.22 174.02 1gr1 s ARG 217 N 1.55 3.47 -0.22 10.12 3.52 -0.32 -4.58 118.95 132.49 1gr1 s ARG 217 Ca -0.02 -0.62 -0.05 0.00 -0.13 0.00 0.00 55.73 54.91 1gr1 s ARG 217 Cb -0.13 -2.81 -0.02 0.00 -1.56 0.00 0.00 34.95 30.43 1gr1 s ARG 217 CO -0.03 0.12 0.01 -1.17 -0.81 0.00 0.00 175.30 173.42 1gr1 s LEU 218 N 0.62 3.23 -0.09 -0.88 2.96 -1.26 -1.32 118.68 121.94 1gr1 s LEU 218 Ca -0.05 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.64 1gr1 s LEU 218 Cb -0.15 -1.84 0.01 0.00 0.50 0.00 0.00 46.19 44.71 1gr1 s LEU 218 CO 0.03 0.01 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.00 1gr1 s THR 219 N 1.32 1.62 0.04 3.68 2.01 0.58 -5.00 115.64 119.88 1gr1 s THR 219 Ca 0.04 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.30 1gr1 s THR 219 Cb -0.15 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 1gr1 s THR 219 CO 0.01 0.46 0.06 -0.31 -0.69 0.00 0.00 174.62 174.15 1gr1 s TYR 220 N 0.54 3.19 -0.33 4.92 2.02 -1.26 -0.93 117.35 125.50 1gr1 s TYR 220 Ca -0.16 0.12 0.01 0.00 -0.37 0.00 0.00 57.07 56.67 1gr1 s TYR 220 Cb -0.17 -1.66 0.10 0.00 -0.40 0.00 0.00 41.96 39.83 1gr1 s TYR 220 CO 0.06 0.52 0.09 0.00 -1.57 0.00 0.00 175.55 174.64 1gr1 s ALA 221 N -1.26 2.19 -0.39 3.71 0.00 -0.30 -4.90 121.76 120.80 1gr1 s ALA 221 Ca 0.25 -2.12 -0.10 0.00 0.00 0.00 0.00 51.96 49.99 1gr1 s ALA 221 Cb -0.12 -1.80 0.05 0.00 0.00 0.00 0.00 23.12 21.25 1gr1 s ALA 221 CO 0.17 -1.70 0.23 0.42 0.00 0.00 0.00 175.76 174.87 1gr1 s ILE 222 N 1.21 4.43 0.26 0.00 1.01 -1.25 -2.22 121.20 124.63 1gr1 s ILE 222 Ca 0.11 -1.09 -0.03 0.00 0.00 0.00 0.00 60.65 59.64 1gr1 s ILE 222 Cb -0.19 -3.57 0.12 0.00 0.01 0.00 0.00 42.46 38.84 1gr1 s ILE 222 CO -0.16 -0.35 1.77 0.77 0.00 0.00 0.00 174.94 176.96 1gr1 h SER 223 N 8.43 0.81 0.26 3.58 4.64 -1.31 -0.85 113.55 129.11 1gr1 h SER 223 Ca -0.24 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1gr1 h SER 223 Cb 1.09 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1gr1 h SER 223 CO 0.71 0.84 -0.06 0.54 -0.87 0.00 0.00 176.83 177.99 1gr1 n ARG 224 N -4.23 0.84 0.00 4.77 5.12 -0.64 -3.73 116.66 118.79 1gr1 n ARG 224 Ca 0.03 -0.24 0.00 0.00 -1.93 0.00 0.00 57.85 55.71 1gr1 n ARG 224 Cb 0.28 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.08 1gr1 n ARG 224 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1gr1 n GLU 225 N -0.87 3.15 -3.84 5.56 1.02 -0.96 -5.05 120.64 119.66 1gr1 n GLU 225 Ca 0.17 -0.15 -0.12 0.00 -0.02 0.00 0.00 57.16 57.03 1gr1 n GLU 225 Cb 0.25 -0.59 -0.14 0.00 -0.02 0.00 0.00 31.44 30.94 1gr1 n GLU 225 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1gr1 s GLN 226 N -0.49 0.07 -0.04 3.49 -0.21 -0.36 -5.04 119.66 117.07 1gr1 s GLN 226 Ca 0.00 0.11 0.01 0.00 0.02 0.00 0.00 55.36 55.50 1gr1 s GLN 226 Cb 0.00 0.01 -0.03 0.00 1.00 0.00 0.00 33.01 33.99 1gr1 s GLN 226 CO 0.00 -0.02 -0.05 0.15 -2.12 0.00 0.00 175.29 173.24 1gr1 s LYS 227 N 0.14 2.72 0.97 2.91 -0.14 -1.26 -0.66 119.74 124.42 1gr1 s LYS 227 Ca -0.01 -0.59 -0.15 0.00 -1.36 0.00 0.00 55.97 53.86 1gr1 s LYS 227 Cb -0.02 -2.60 0.18 0.00 -1.68 0.00 0.00 37.83 33.72 1gr1 s LYS 227 CO -0.00 0.64 1.21 0.54 -0.76 0.00 0.00 175.35 176.98 1gr1 s ASN 228 N -1.10 2.97 0.27 2.83 2.20 0.41 -4.76 114.94 117.76 1gr1 s ASN 228 Ca 0.15 0.61 0.20 0.00 -0.94 0.00 0.00 52.86 52.87 1gr1 s ASN 228 Cb -0.11 -0.91 1.01 0.00 -2.00 0.00 0.00 41.25 39.24 1gr1 s ASN 228 CO 0.04 -2.85 1.60 -2.65 -2.94 0.00 0.00 177.10 170.30 1gr1 n PRO 229 N -3.91 0.13 0.00 3.55 -0.02 -1.26 -1.28 135.00 132.22 1gr1 n PRO 229 Ca 0.11 0.58 0.14 0.00 -2.02 0.00 0.00 63.50 62.31 1gr1 n PRO 229 Cb 0.60 -1.89 0.45 0.00 -0.02 0.00 0.00 33.50 32.64 1gr1 n PRO 229 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1gr1 n GLN 230 N -2.16 1.77 -0.31 -0.52 3.00 -1.26 -4.93 117.38 112.97 1gr1 n GLN 230 Ca -0.01 -1.13 0.00 0.00 -0.01 0.00 0.00 57.00 55.85 1gr1 n GLN 230 Cb 0.07 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 28.83 1gr1 n GLN 230 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1gr1 n GLY 231 N 1.21 1.13 3.91 1.08 0.00 -0.40 -5.05 105.19 107.07 1gr1 n GLY 231 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1gr1 n GLY 231 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gr1 s GLY 232 N -1.73 1.63 0.53 -0.02 0.00 -1.26 -4.78 107.32 101.69 1gr1 s GLY 232 Ca 0.00 -0.72 -0.22 0.00 0.00 0.00 0.00 44.72 43.78 1gr1 s GLY 232 CO 0.00 -0.29 1.36 0.50 0.00 0.00 0.00 173.10 174.67 1gr1 s ARG 233 N -5.37 3.25 -0.11 2.90 0.52 -1.26 -0.45 118.95 118.44 1gr1 s ARG 233 Ca 0.60 2.25 -0.30 0.00 -0.52 0.00 0.00 55.73 57.76 1gr1 s ARG 233 Cb -0.11 -2.33 -0.01 0.00 0.52 0.00 0.00 34.95 33.02 1gr1 s ARG 233 CO 0.47 -1.10 1.03 1.41 0.02 0.00 0.00 175.30 177.13 1gr1 s MET 234 N -2.82 4.40 0.39 3.54 -2.45 0.17 -4.46 119.30 118.06 1gr1 s MET 234 Ca 0.69 1.42 0.05 0.00 -1.25 0.00 0.00 55.69 56.61 1gr1 s MET 234 Cb -0.41 -3.55 -0.07 0.00 1.25 0.00 0.00 34.83 32.05 1gr1 s MET 234 CO 0.49 -0.36 0.03 0.71 1.05 0.00 0.00 175.02 176.94 1gr1 s TYR 235 N 2.14 2.26 0.32 4.11 2.02 -1.26 -2.76 117.35 124.19 1gr1 s TYR 235 Ca 0.49 -0.81 0.04 0.00 -0.37 0.00 0.00 57.07 56.42 1gr1 s TYR 235 Cb -0.19 -1.57 0.64 0.00 -0.40 0.00 0.00 41.96 40.44 1gr1 s TYR 235 CO 0.17 0.26 1.90 0.97 -1.57 0.00 0.00 175.55 177.28 1gr1 h ILE 236 N 1.87 0.99 0.00 2.71 2.10 -1.93 -1.40 117.51 121.84 1gr1 h ILE 236 Ca -0.43 -0.31 -0.03 0.00 1.08 0.00 0.00 64.86 65.18 1gr1 h ILE 236 Cb 1.25 0.02 -0.00 0.00 -1.09 0.00 0.00 36.82 36.99 1gr1 h ILE 236 CO 0.76 0.16 -0.15 0.06 -1.08 0.00 0.00 178.15 177.91 1gr1 h GLN 237 N 0.90 0.00 -0.23 2.19 -0.00 -1.92 -1.33 115.11 114.72 1gr1 h GLN 237 Ca 0.40 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.86 1gr1 h GLN 237 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.84 1gr1 h GLN 237 CO -0.16 0.15 -0.61 -0.44 -0.00 0.00 0.00 178.83 177.76 1gr1 h ASP 238 N 0.00 0.89 0.22 0.06 3.32 -1.63 -0.26 116.42 119.02 1gr1 h ASP 238 Ca -0.00 -0.51 -0.14 0.00 0.02 0.00 0.00 57.03 56.40 1gr1 h ASP 238 Cb 0.26 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1gr1 h ASP 238 CO 0.02 1.29 -0.55 0.03 -1.72 0.00 0.00 179.24 178.31 1gr1 h ARG 239 N 0.58 0.35 -0.31 3.56 2.47 -1.12 0.02 114.38 119.93 1gr1 h ARG 239 Ca -0.01 -0.22 -0.13 0.00 -1.26 0.00 0.00 59.98 58.36 1gr1 h ARG 239 Cb 1.22 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.55 1gr1 h ARG 239 CO 0.13 0.81 -0.34 0.28 0.56 0.00 0.00 179.97 181.41 1gr1 h VAL 240 N 0.27 1.28 -0.61 2.04 2.07 -1.20 -1.43 116.25 118.67 1gr1 h VAL 240 Ca 0.00 -1.49 -0.03 0.00 0.82 0.00 0.00 66.70 66.00 1gr1 h VAL 240 Cb 1.06 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 1gr1 h VAL 240 CO 0.09 0.48 0.29 0.00 0.02 0.00 0.00 177.57 178.45 1gr1 h ALA 241 N 1.03 0.79 -0.03 1.67 0.00 -0.61 0.46 119.26 122.58 1gr1 h ALA 241 Ca 0.06 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1gr1 h ALA 241 Cb 0.87 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1gr1 h ALA 241 CO 0.08 0.37 -0.39 1.49 0.00 0.00 0.00 179.25 180.79 1gr1 h GLU 242 N 0.84 0.06 -0.23 0.00 4.81 -0.75 -2.85 114.58 116.46 1gr1 h GLU 242 Ca 0.21 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.32 1gr1 h GLU 242 Cb 0.14 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.46 1gr1 h GLU 242 CO -0.02 0.45 -0.14 0.72 -0.73 0.00 0.00 179.01 179.29 1gr1 n HIS 243 N -4.06 0.73 -0.27 0.92 8.25 -0.56 -4.82 115.22 115.41 1gr1 n HIS 243 Ca -0.02 -1.39 -0.06 0.00 -0.26 0.00 0.00 57.72 55.99 1gr1 n HIS 243 Cb 0.43 -0.38 0.06 0.00 1.12 0.00 0.00 29.99 31.22 1gr1 n HIS 243 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1gr1 h ALA 244 N 1.02 0.95 -0.39 -1.41 0.00 -0.66 -1.11 119.26 117.65 1gr1 h ALA 244 Ca 0.12 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1gr1 h ALA 244 Cb 1.43 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1gr1 h ALA 244 CO 0.24 0.51 0.00 -0.44 0.00 0.00 0.00 179.25 179.57 1gr1 h ASP 245 N 1.03 0.68 -0.21 0.00 3.32 -1.85 0.83 116.42 120.22 1gr1 h ASP 245 Ca 0.25 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1gr1 h ASP 245 Cb 0.11 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1gr1 h ASP 245 CO -0.03 0.82 0.13 1.56 -1.72 0.00 0.00 179.24 180.00 1gr1 h GLN 246 N 0.52 0.27 0.00 3.56 4.20 -1.89 -1.14 115.11 120.63 1gr1 h GLN 246 Ca 0.11 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 1gr1 h GLN 246 Cb 0.47 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1gr1 h GLN 246 CO 0.02 0.19 -0.22 -0.07 -0.67 0.00 0.00 178.83 178.09 1gr1 h LEU 247 N 0.27 0.00 -0.15 1.46 3.38 -0.87 -0.79 115.31 118.61 1gr1 h LEU 247 Ca 0.08 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.81 1gr1 h LEU 247 Cb -0.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.74 1gr1 h LEU 247 CO -0.02 0.22 -0.94 -0.25 0.09 0.00 0.00 178.44 177.54 1gr1 h TRP 248 N 0.00 0.75 0.00 1.13 -0.00 -0.39 -2.21 115.95 115.23 1gr1 h TRP 248 Ca -0.00 -0.40 -0.09 0.00 -0.00 0.00 0.00 58.89 58.40 1gr1 h TRP 248 Cb 0.38 -0.09 -0.01 0.00 -0.00 0.00 0.00 29.16 29.44 1gr1 h TRP 248 CO 0.00 1.22 -0.43 1.96 -0.00 0.00 0.00 178.44 181.18 1gr1 h GLN 249 N 0.30 0.00 -0.15 2.65 4.20 -0.64 -2.51 115.11 118.95 1gr1 h GLN 249 Ca -0.09 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.41 1gr1 h GLN 249 Cb 1.57 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.36 1gr1 h GLN 249 CO 0.17 0.43 -0.74 -0.07 -0.67 0.00 0.00 178.83 177.95 1gr1 h LEU 250 N 0.00 0.83 -1.77 1.46 3.38 -1.15 -3.24 115.31 114.83 1gr1 h LEU 250 Ca -0.00 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 1gr1 h LEU 250 Cb 1.15 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1gr1 h LEU 250 CO 0.06 1.31 -0.14 0.40 0.09 0.00 0.00 178.44 180.16 1gr1 h ILE 251 N 0.49 0.56 0.00 1.22 2.04 -1.03 -2.69 117.51 118.09 1gr1 h ILE 251 Ca -0.04 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 1gr1 h ILE 251 Cb 1.35 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 1gr1 h ILE 251 CO 0.15 0.14 -0.20 0.11 0.00 0.00 0.00 178.15 178.35 1gr1 h LYS 252 N 0.00 0.00 -6.69 2.37 1.57 -1.48 -3.44 116.57 108.91 1gr1 h LYS 252 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1gr1 h LYS 252 Cb 0.41 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.78 1gr1 h LYS 252 CO 0.02 0.20 0.88 1.21 -0.57 0.00 0.00 179.45 181.18 1gr1 s ASN 253 N -6.14 6.52 0.49 0.86 3.84 -1.01 -4.89 114.94 114.59 1gr1 s ASN 253 Ca 0.00 2.74 0.33 0.00 0.21 0.00 0.00 52.86 56.14 1gr1 s ASN 253 Cb 0.10 -2.61 1.70 0.00 -0.55 0.00 0.00 41.25 39.89 1gr1 s ASN 253 CO 0.62 -0.84 2.00 0.06 -2.79 0.00 0.00 177.10 176.15 1gr1 h GLN 254 N 6.03 0.00 -0.00 0.43 3.07 -1.89 -2.02 115.11 120.72 1gr1 h GLN 254 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.30 1gr1 h GLN 254 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.77 1gr1 h GLN 254 CO 0.87 0.00 -0.86 1.63 0.09 0.00 0.00 178.83 180.56 1gr1 n LYS 255 N -2.70 0.21 -2.59 0.06 5.02 -1.26 -4.96 118.16 111.94 1gr1 n LYS 255 Ca -0.01 -0.17 -0.42 0.00 -2.02 0.00 0.00 58.31 55.69 1gr1 n LYS 255 Cb 0.10 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 1gr1 n LYS 255 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1gr1 s THR 256 N -2.91 4.41 0.17 -0.18 2.01 -0.76 -3.42 115.64 114.96 1gr1 s THR 256 Ca 0.10 1.81 0.10 0.00 0.31 0.00 0.00 61.69 64.01 1gr1 s THR 256 Cb 0.17 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 1gr1 s THR 256 CO 0.80 0.18 -0.17 -1.00 -0.69 0.00 0.00 174.62 173.74 1gr1 s HIS 257 N 0.72 2.48 -0.04 4.92 3.76 0.25 -4.90 115.29 122.48 1gr1 s HIS 257 Ca 0.53 -0.29 0.02 0.00 -0.15 0.00 0.00 55.06 55.18 1gr1 s HIS 257 Cb -0.25 -1.24 0.01 0.00 1.11 0.00 0.00 32.58 32.21 1gr1 s HIS 257 CO 0.30 0.48 -0.10 0.99 -0.85 0.00 0.00 174.74 175.56 1gr1 s THR 258 N -1.57 0.89 -0.06 1.30 2.01 -0.92 -1.17 115.64 116.12 1gr1 s THR 258 Ca 0.22 -0.38 0.05 0.00 0.31 0.00 0.00 61.69 61.89 1gr1 s THR 258 Cb -0.09 -0.81 -0.01 0.00 0.01 0.00 0.00 72.50 71.61 1gr1 s THR 258 CO 0.12 0.28 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.78 1gr1 s TYR 259 N 0.42 2.38 -0.14 4.92 1.51 -0.01 -0.48 117.35 125.94 1gr1 s TYR 259 Ca -0.08 -0.77 0.00 0.00 -1.01 0.00 0.00 57.07 55.22 1gr1 s TYR 259 Cb -0.12 -1.57 0.03 0.00 -0.11 0.00 0.00 41.96 40.19 1gr1 s TYR 259 CO 0.01 -0.25 -0.11 0.42 -1.11 0.00 0.00 175.55 174.51 1gr1 s ILE 260 N -0.04 1.36 0.02 2.71 1.01 0.23 -0.73 121.20 125.77 1gr1 s ILE 260 Ca -0.07 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.02 1gr1 s ILE 260 Cb -0.14 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 1gr1 s ILE 260 CO 0.05 0.37 -0.03 0.00 0.00 0.00 0.00 174.94 175.32 1gr1 n GLY 262 N 1.84 1.70 3.76 0.00 0.00 -1.17 -2.57 105.19 108.75 1gr1 n GLY 262 Ca -0.22 -1.89 -0.38 0.00 0.00 0.00 0.00 46.02 43.54 1gr1 n GLY 262 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gr1 s LEU 263 N 0.00 3.99 0.44 0.99 1.43 -1.26 -2.79 118.68 121.48 1gr1 s LEU 263 Ca 0.00 2.59 -0.25 0.00 -1.03 0.00 0.00 54.13 55.44 1gr1 s LEU 263 Cb 0.00 -4.18 -0.08 0.00 0.03 0.00 0.00 46.19 41.96 1gr1 s LEU 263 CO 0.00 -1.20 1.36 -0.60 0.23 0.00 0.00 176.35 176.14 1gr1 s ARG 264 N -2.69 3.77 0.00 1.70 3.52 -1.26 -4.41 118.95 119.58 1gr1 s ARG 264 Ca 0.66 2.26 0.00 0.00 -0.13 0.00 0.00 55.73 58.52 1gr1 s ARG 264 Cb -0.36 -2.65 0.00 0.00 -1.56 0.00 0.00 34.95 30.37 1gr1 s ARG 264 CO 0.44 -0.70 0.00 0.41 -0.81 0.00 0.00 175.30 174.64 1gr1 n GLY 265 N 0.62 0.24 0.02 8.12 0.00 -1.26 -4.98 105.19 107.95 1gr1 n GLY 265 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.13 1gr1 n GLY 265 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1gr1 n MET 266 N 0.00 0.67 0.17 1.61 0.00 -1.26 -4.59 117.12 113.71 1gr1 n MET 266 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 57.70 57.58 1gr1 n MET 266 Cb 0.00 -1.43 0.29 0.00 0.00 0.00 0.00 33.22 32.08 1gr1 n MET 266 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1gr1 h GLU 267 N 0.00 0.00 0.01 3.17 5.08 -1.95 -2.92 114.58 117.97 1gr1 h GLU 267 Ca -0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1gr1 h GLU 267 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1gr1 h GLU 267 CO 0.00 0.47 -0.00 1.49 -1.00 0.00 0.00 179.01 179.97 1gr1 h GLU 268 N 0.00 -0.01 -0.23 2.33 4.81 -2.00 -2.10 114.58 117.38 1gr1 h GLU 268 Ca -0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1gr1 h GLU 268 Cb 0.86 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 1gr1 h GLU 268 CO 0.06 0.42 -0.10 0.78 -0.73 0.00 0.00 179.01 179.44 1gr1 h GLY 269 N -0.45 0.39 1.16 1.92 0.00 -1.85 -1.40 103.07 102.85 1gr1 h GLY 269 Ca -0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 46.97 1gr1 h GLY 269 CO 0.00 0.23 -0.12 -2.22 0.00 0.00 0.00 176.54 174.43 1gr1 h ILE 270 N 0.34 1.27 -0.28 2.60 2.04 -1.50 -2.98 117.51 119.00 1gr1 h ILE 270 Ca 0.07 -1.26 -0.16 0.00 1.00 0.00 0.00 64.86 64.51 1gr1 h ILE 270 Cb 0.40 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1gr1 h ILE 270 CO 0.02 0.44 -0.44 0.44 0.00 0.00 0.00 178.15 178.62 1gr1 h ASP 271 N 0.87 0.86 0.13 1.72 3.32 -0.66 -2.54 116.42 120.13 1gr1 h ASP 271 Ca 0.13 -0.52 -0.05 0.00 0.02 0.00 0.00 57.03 56.61 1gr1 h ASP 271 Cb 0.67 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1gr1 h ASP 271 CO 0.05 1.22 -0.20 0.00 -1.72 0.00 0.00 179.24 178.58 1gr1 h ALA 272 N 0.67 1.52 -0.09 3.45 0.00 -1.29 0.33 119.26 123.86 1gr1 h ALA 272 Ca 0.02 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1gr1 h ALA 272 Cb 1.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1gr1 h ALA 272 CO 0.10 0.35 -0.28 0.00 0.00 0.00 0.00 179.25 179.43 1gr1 h ALA 273 N 1.67 0.15 0.00 0.00 0.00 -1.38 -2.30 119.26 117.40 1gr1 h ALA 273 Ca 0.02 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1gr1 h ALA 273 Cb 0.43 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1gr1 h ALA 273 CO 0.03 0.16 -0.08 -0.07 0.00 0.00 0.00 179.25 179.29 1gr1 h LEU 274 N -0.13 0.00 -0.22 0.00 3.38 -1.13 -1.89 115.31 115.31 1gr1 h LEU 274 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1gr1 h LEU 274 Cb 0.90 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1gr1 h LEU 274 CO 0.06 0.08 -0.18 -1.28 0.09 0.00 0.00 178.44 177.21 1gr1 h SER 275 N 0.00 0.55 0.04 -0.43 0.87 -0.22 -1.16 113.55 113.20 1gr1 h SER 275 Ca -0.00 -0.45 -0.09 0.00 -1.23 0.00 0.00 61.79 60.02 1gr1 h SER 275 Cb 0.66 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1gr1 h SER 275 CO 0.01 0.89 -0.27 0.00 -0.53 0.00 0.00 176.83 176.93 1gr1 h ALA 276 N 0.68 1.19 0.28 6.23 0.00 -1.13 -1.22 119.26 125.30 1gr1 h ALA 276 Ca 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1gr1 h ALA 276 Cb 0.72 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1gr1 h ALA 276 CO 0.05 0.52 -0.14 0.00 0.00 0.00 0.00 179.25 179.68 1gr1 h ALA 277 N 1.40 -0.38 -0.86 0.00 0.00 -1.28 -3.21 119.26 114.94 1gr1 h ALA 277 Ca 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1gr1 h ALA 277 Cb 0.64 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1gr1 h ALA 277 CO 0.05 -0.53 0.51 0.00 0.00 0.00 0.00 179.25 179.28 1gr1 h ALA 278 N -0.19 1.28 -0.40 0.00 0.00 -1.17 -2.89 119.26 115.89 1gr1 h ALA 278 Ca -0.04 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1gr1 h ALA 278 Cb 0.50 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1gr1 h ALA 278 CO 0.06 0.61 0.27 0.00 0.00 0.00 0.00 179.25 180.20 1gr1 h ALA 279 N 1.38 1.96 -0.26 0.00 0.00 -0.91 0.25 119.26 121.68 1gr1 h ALA 279 Ca 0.31 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.28 1gr1 h ALA 279 Cb -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1gr1 h ALA 279 CO -0.06 -0.03 0.24 0.87 0.00 0.00 0.00 179.25 180.27 1gr1 h LYS 280 N 0.33 0.00 -0.42 0.00 1.57 -1.51 -0.42 116.57 116.12 1gr1 h LYS 280 Ca 0.17 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.84 1gr1 h LYS 280 Cb 0.28 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.52 1gr1 h LYS 280 CO -0.04 0.00 0.06 0.39 -0.57 0.00 0.00 179.45 179.29 1gr1 n GLU 281 N -4.00 2.83 -3.39 3.15 1.02 0.05 -4.95 120.64 115.35 1gr1 n GLU 281 Ca 0.03 -3.00 -0.19 0.00 -0.02 0.00 0.00 57.16 53.98 1gr1 n GLU 281 Cb 0.39 -1.94 0.07 0.00 -0.02 0.00 0.00 31.44 29.94 1gr1 n GLU 281 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gr1 n GLY 282 N -0.60 -0.32 3.01 0.62 0.00 -0.17 -5.03 105.19 102.70 1gr1 n GLY 282 Ca 0.30 0.10 -0.22 0.00 0.00 0.00 0.00 46.02 46.20 1gr1 n GLY 282 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gr1 s VAL 283 N -3.29 0.92 -0.39 1.61 1.01 -1.06 -5.00 120.40 114.19 1gr1 s VAL 283 Ca 0.34 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.74 1gr1 s VAL 283 Cb -0.15 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.41 1gr1 s VAL 283 CO 0.64 0.29 0.46 0.42 0.00 0.00 0.00 175.10 176.91 1gr1 s THR 284 N 0.39 5.06 0.30 3.92 -4.23 -1.26 -2.50 115.64 117.32 1gr1 s THR 284 Ca -0.07 -0.08 0.03 0.00 -1.18 0.00 0.00 61.69 60.38 1gr1 s THR 284 Cb -0.12 -4.00 0.29 0.00 1.34 0.00 0.00 72.50 70.01 1gr1 s THR 284 CO 0.01 -0.34 1.86 -0.25 -0.54 0.00 0.00 174.62 175.36 1gr1 h TRP 285 N 8.65 1.05 0.00 3.99 -0.00 -1.85 -2.39 115.95 125.40 1gr1 h TRP 285 Ca -0.27 0.03 -0.05 0.00 -0.00 0.00 0.00 58.89 58.60 1gr1 h TRP 285 Cb 1.12 -0.34 -0.01 0.00 -0.00 0.00 0.00 29.16 29.93 1gr1 h TRP 285 CO 0.67 0.44 -0.22 0.66 -0.00 0.00 0.00 178.44 179.99 1gr1 h SER 286 N 0.94 0.00 0.20 2.65 4.64 -1.94 0.36 113.55 120.40 1gr1 h SER 286 Ca 0.46 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.43 1gr1 h SER 286 Cb 0.48 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1gr1 h SER 286 CO -0.23 0.22 -1.77 0.44 -0.87 0.00 0.00 176.83 174.62 1gr1 h ASP 287 N 0.00 0.59 -0.81 4.97 3.32 -1.87 -2.90 116.42 119.71 1gr1 h ASP 287 Ca -0.00 -0.91 0.05 0.00 0.02 0.00 0.00 57.03 56.19 1gr1 h ASP 287 Cb 0.42 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.73 1gr1 h ASP 287 CO 0.03 1.77 0.53 0.22 -1.72 0.00 0.00 179.24 180.07 1gr1 h TYR 288 N 0.10 0.92 0.00 4.55 3.20 -1.03 -2.09 116.97 122.61 1gr1 h TYR 288 Ca -0.35 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.45 1gr1 h TYR 288 Cb 2.09 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 40.04 1gr1 h TYR 288 CO 0.10 0.50 -0.48 0.37 -1.64 0.00 0.00 178.16 177.01 1gr1 h GLN 289 N 0.92 0.00 -0.70 1.82 4.15 -0.37 -1.95 115.11 118.98 1gr1 h GLN 289 Ca 0.34 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.71 1gr1 h GLN 289 Cb 0.16 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 1gr1 h GLN 289 CO -0.11 0.48 0.26 0.87 -1.93 0.00 0.00 178.83 178.40 1gr1 h LYS 290 N 0.00 1.05 -0.08 1.69 1.57 -1.16 -1.29 116.57 118.34 1gr1 h LYS 290 Ca -0.00 -0.19 -0.19 0.00 -1.87 0.00 0.00 60.65 58.40 1gr1 h LYS 290 Cb 0.88 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 1gr1 h LYS 290 CO 0.06 0.86 -0.75 -0.44 -0.57 0.00 0.00 179.45 178.62 1gr1 h ASP 291 N 1.02 0.53 -0.24 0.86 3.32 -1.21 -2.05 116.42 118.65 1gr1 h ASP 291 Ca 0.23 -0.35 -0.07 0.00 0.02 0.00 0.00 57.03 56.86 1gr1 h ASP 291 Cb 0.23 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1gr1 h ASP 291 CO -0.02 1.10 -0.07 -0.07 -1.72 0.00 0.00 179.24 178.46 1gr1 h LEU 292 N 0.30 0.58 -0.49 1.55 3.38 -1.25 -0.37 115.31 119.01 1gr1 h LEU 292 Ca -0.04 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 1gr1 h LEU 292 Cb 1.33 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1gr1 h LEU 292 CO 0.13 0.70 -0.14 0.11 0.09 0.00 0.00 178.44 179.34 1gr1 h LYS 293 N 0.56 0.96 -0.13 1.13 1.57 -0.97 0.21 116.57 119.90 1gr1 h LYS 293 Ca 0.11 -0.38 -0.12 0.00 -1.87 0.00 0.00 60.65 58.39 1gr1 h LYS 293 Cb 0.47 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1gr1 h LYS 293 CO 0.02 1.05 -0.45 0.87 -0.57 0.00 0.00 179.45 180.37 1gr1 h LYS 294 N 0.82 0.33 0.00 3.15 1.57 -1.17 -2.86 116.57 118.40 1gr1 h LYS 294 Ca 0.12 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1gr1 h LYS 294 Cb 0.70 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1gr1 h LYS 294 CO 0.05 0.72 0.00 0.00 -0.57 0.00 0.00 179.45 179.65 1gr1 n ALA 295 N -2.48 2.25 -1.48 3.86 0.00 -0.17 -4.88 120.51 117.61 1gr1 n ALA 295 Ca -0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.27 1gr1 n ALA 295 Cb 0.52 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 1gr1 n ALA 295 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gr1 n GLY 296 N 0.92 0.53 0.35 0.00 0.00 -1.01 -4.93 105.19 101.05 1gr1 n GLY 296 Ca 0.11 -0.80 0.03 0.00 0.00 0.00 0.00 46.02 45.36 1gr1 n GLY 296 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gr1 n ARG 297 N -2.34 2.09 -3.82 1.61 1.74 0.68 -4.82 116.66 111.80 1gr1 n ARG 297 Ca -0.05 -1.57 -0.30 0.00 -0.77 0.00 0.00 57.85 55.16 1gr1 n ARG 297 Cb 0.29 -1.15 -0.15 0.00 -1.02 0.00 0.00 32.46 30.43 1gr1 n ARG 297 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1gr1 s TRP 298 N -0.88 2.41 -0.21 -1.55 -0.11 -0.92 -2.15 118.94 115.53 1gr1 s TRP 298 Ca 0.12 -2.28 -0.08 0.00 1.22 0.00 0.00 56.10 55.09 1gr1 s TRP 298 Cb 0.07 -2.14 -0.04 0.00 -1.50 0.00 0.00 33.47 29.85 1gr1 s TRP 298 CO 0.09 -0.88 0.08 -1.01 -4.62 0.00 0.00 176.95 170.62 1gr1 s HIS 299 N 1.13 3.21 -0.02 5.86 3.76 0.36 -4.68 115.29 124.92 1gr1 s HIS 299 Ca 0.12 -0.03 0.03 0.00 -0.15 0.00 0.00 55.06 55.03 1gr1 s HIS 299 Cb -0.19 -2.16 -0.00 0.00 1.11 0.00 0.00 32.58 31.34 1gr1 s HIS 299 CO -0.15 -0.00 -0.09 0.08 -0.85 0.00 0.00 174.74 173.72 1gr1 s VAL 300 N 0.85 0.74 -0.36 -0.90 1.01 -1.26 -0.60 120.40 119.88 1gr1 s VAL 300 Ca 0.04 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1gr1 s VAL 300 Cb -0.13 -0.64 0.15 0.00 0.00 0.00 0.00 36.38 35.76 1gr1 s VAL 300 CO 0.03 0.22 0.38 -0.70 0.00 0.00 0.00 175.10 175.03 1gr1 s GLU 301 N -0.01 0.59 0.30 2.72 2.12 0.21 -4.93 118.70 119.71 1gr1 s GLU 301 Ca 0.00 -0.67 0.08 0.00 0.36 0.00 0.00 54.97 54.75 1gr1 s GLU 301 Cb -0.06 -0.65 -0.04 0.00 0.26 0.00 0.00 34.13 33.64 1gr1 s GLU 301 CO -0.00 -1.16 0.11 0.95 -0.54 0.00 0.00 175.26 174.62 1gr1 s THR 302 N 1.66 3.38 0.00 -1.70 -4.23 -1.26 -3.04 115.64 110.45 1gr1 s THR 302 Ca 0.15 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 1gr1 s THR 302 Cb -0.14 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.69 1gr1 s THR 302 CO -0.10 -0.27 0.00 0.00 -0.54 0.00 0.00 174.62 173.72