#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sef s GLU 16 N 0.00 2.70 0.57 1.64 2.02 -1.26 -4.98 118.70 119.40 1sef s GLU 16 Ca 0.00 1.12 -0.21 0.00 0.02 0.00 0.00 54.97 55.91 1sef s GLU 16 Cb 0.00 -1.95 -0.04 0.00 0.10 0.00 0.00 34.13 32.24 1sef s GLU 16 CO 0.00 -1.29 1.32 1.28 0.02 0.00 0.00 175.26 176.59 1sef n LEU 17 N -3.06 5.53 -4.58 1.80 4.77 -1.26 -4.88 117.00 115.33 1sef n LEU 17 Ca 0.09 0.94 -0.42 0.00 -0.03 0.00 0.00 56.01 56.59 1sef n LEU 17 Cb 0.53 -1.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.03 1sef n LEU 17 CO 0.53 -0.75 1.28 -0.76 -1.33 0.00 0.00 177.39 176.36 1sef s LEU 18 N -3.55 3.41 0.10 2.23 1.43 -1.26 -4.97 118.68 116.07 1sef s LEU 18 Ca 0.74 0.36 0.02 0.00 -1.03 0.00 0.00 54.13 54.22 1sef s LEU 18 Cb -0.41 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 1sef s LEU 18 CO 0.47 -1.73 -0.07 0.42 0.23 0.00 0.00 176.35 175.67 1sef s THR 19 N 6.21 0.75 -0.24 5.49 -4.23 -1.26 -5.17 115.64 117.19 1sef s THR 19 Ca 0.55 -1.87 -0.22 0.00 -1.18 0.00 0.00 61.69 58.97 1sef s THR 19 Cb -0.11 -1.60 0.06 0.00 1.34 0.00 0.00 72.50 72.19 1sef s THR 19 CO 0.25 -0.81 0.65 -0.55 -0.54 0.00 0.00 174.62 173.63 1sef s SER 20 N -2.92 -0.69 -0.19 3.99 0.15 -1.26 -5.02 113.70 107.76 1sef s SER 20 Ca 0.10 1.31 0.16 0.00 0.70 0.00 0.00 55.95 58.23 1sef s SER 20 Cb 0.03 1.32 0.79 0.00 -1.71 0.00 0.00 66.02 66.45 1sef s SER 20 CO -0.04 -0.23 1.71 -2.11 1.20 0.00 0.00 173.24 173.78 1sef n ARG 21 N 2.87 4.44 -2.24 5.44 1.85 -1.26 -4.96 116.66 122.80 1sef n ARG 21 Ca -0.14 -3.07 -0.38 0.00 -1.00 0.00 0.00 57.85 53.26 1sef n ARG 21 Cb 0.56 -2.12 -0.01 0.00 -1.05 0.00 0.00 32.46 29.83 1sef n ARG 21 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1sef s ALA 22 N -2.38 3.13 -0.11 2.89 0.00 -1.26 -4.86 121.76 119.16 1sef s ALA 22 Ca 0.54 1.00 -0.02 0.00 0.00 0.00 0.00 51.96 53.48 1sef s ALA 22 Cb 0.38 -3.40 0.04 0.00 0.00 0.00 0.00 23.12 20.14 1sef s ALA 22 CO 0.20 -0.61 0.01 0.08 0.00 0.00 0.00 175.76 175.44 1sef s VAL 23 N -1.41 0.45 -0.24 0.00 1.01 -0.62 -4.98 120.40 114.61 1sef s VAL 23 Ca 0.58 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.50 1sef s VAL 23 Cb -0.31 -0.70 0.06 0.00 0.00 0.00 0.00 36.38 35.42 1sef s VAL 23 CO 0.39 0.14 -0.10 -0.63 0.00 0.00 0.00 175.10 174.90 1sef s ILE 24 N 1.93 1.98 -0.42 2.22 1.09 -1.26 -0.09 121.20 126.64 1sef s ILE 24 Ca 0.03 -1.45 0.02 0.00 -1.10 0.00 0.00 60.65 58.15 1sef s ILE 24 Cb -0.14 -2.10 0.13 0.00 -1.06 0.00 0.00 42.46 39.29 1sef s ILE 24 CO -0.06 0.01 0.21 -0.54 -0.10 0.00 0.00 174.94 174.46 1sef s LYS 25 N 1.20 1.28 0.14 2.79 1.02 -0.20 -5.03 119.74 120.96 1sef s LYS 25 Ca -0.07 -1.93 -0.32 0.00 0.02 0.00 0.00 55.97 53.68 1sef s LYS 25 Cb -0.19 -2.43 -0.18 0.00 -0.52 0.00 0.00 37.83 34.52 1sef s LYS 25 CO -0.06 -1.12 0.75 1.63 -0.92 0.00 0.00 175.35 175.63 1sef n LYS 26 N 3.72 0.16 -1.95 1.68 4.01 -1.26 -0.99 118.16 123.53 1sef n LYS 26 Ca 0.06 0.06 -0.16 0.00 -0.51 0.00 0.00 58.31 57.77 1sef n LYS 26 Cb 0.36 -1.26 -0.04 0.00 -0.51 0.00 0.00 35.03 33.58 1sef n LYS 26 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1sef n ASP 27 N 1.82 -4.38 0.00 4.39 8.00 -0.53 -4.70 116.55 121.16 1sef n ASP 27 Ca 0.18 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.93 1sef n ASP 27 Cb 0.20 -3.83 0.00 0.00 -0.02 0.00 0.00 41.12 37.47 1sef n ASP 27 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1sef n ASN 28 N -1.33 0.00 -3.62 -2.24 4.05 -0.16 -4.87 115.26 107.09 1sef n ASN 28 Ca -0.17 0.00 -0.07 0.00 0.45 0.00 0.00 54.58 54.79 1sef n ASN 28 Cb 0.58 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.57 1sef n ASN 28 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 1sef s TYR 29 N -0.19 -0.29 -0.18 1.20 1.13 -0.45 -1.67 117.35 116.92 1sef s TYR 29 Ca 0.00 0.04 -0.16 0.00 -1.41 0.00 0.00 57.07 55.53 1sef s TYR 29 Cb 0.00 0.60 0.05 0.00 -1.10 0.00 0.00 41.96 41.51 1sef s TYR 29 CO 0.00 -0.79 0.47 0.00 -2.51 0.00 0.00 175.55 172.72 1sef s ALA 30 N -3.39 -1.16 -0.22 9.51 0.00 -0.61 -1.03 121.76 124.86 1sef s ALA 30 Ca 0.08 1.33 -0.01 0.00 0.00 0.00 0.00 51.96 53.36 1sef s ALA 30 Cb -0.02 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.35 1sef s ALA 30 CO -0.04 -0.22 -0.12 0.42 0.00 0.00 0.00 175.76 175.80 1sef s ILE 31 N 0.25 2.58 -0.45 0.00 1.01 0.87 -0.63 121.20 124.83 1sef s ILE 31 Ca -0.00 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.74 1sef s ILE 31 Cb -0.03 -2.22 0.12 0.00 0.01 0.00 0.00 42.46 40.34 1sef s ILE 31 CO 0.01 0.36 0.18 -0.63 0.00 0.00 0.00 174.94 174.86 1sef s ILE 32 N 1.32 2.58 0.57 2.92 -1.09 0.93 -1.58 121.20 126.85 1sef s ILE 32 Ca 0.02 -2.84 -0.19 0.00 -2.23 0.00 0.00 60.65 55.40 1sef s ILE 32 Cb -0.15 -2.82 -0.04 0.00 -1.58 0.00 0.00 42.46 37.87 1sef s ILE 32 CO -0.08 -0.72 1.21 -2.84 -1.23 0.00 0.00 174.94 171.29 1sef s PRO 33 N 0.27 3.07 0.38 2.79 0.02 -1.26 -1.38 135.00 138.89 1sef s PRO 33 Ca 0.14 1.85 0.09 0.00 0.02 0.00 0.00 61.00 63.10 1sef s PRO 33 Cb -0.23 -2.00 0.83 0.00 0.02 0.00 0.00 34.50 33.13 1sef s PRO 33 CO -0.04 -1.13 1.93 1.25 -0.33 0.00 0.00 177.00 178.68 1sef h HIS 34 N 1.05 0.71 -0.30 6.54 2.76 -1.90 -2.77 115.15 121.24 1sef h HIS 34 Ca -0.50 0.02 0.09 0.00 -2.20 0.00 0.00 60.37 57.77 1sef h HIS 34 Cb 1.29 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 30.01 1sef h HIS 34 CO 0.47 0.33 0.30 -0.44 -1.30 0.00 0.00 177.93 177.29 1sef h ASP 35 N 0.66 0.00 0.01 3.26 3.45 -1.91 -2.55 116.42 119.34 1sef h ASP 35 Ca 0.35 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.81 1sef h ASP 35 Cb 0.50 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.27 1sef h ASP 35 CO -0.13 0.00 -0.13 0.61 -1.57 0.00 0.00 179.24 178.02 1sef n GLY 36 N -1.47 0.35 3.78 2.75 0.00 -1.04 -4.98 105.19 104.57 1sef n GLY 36 Ca 0.05 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 1sef n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sef s LEU 37 N -2.16 3.42 0.17 0.99 1.43 -0.96 -5.07 118.68 116.50 1sef s LEU 37 Ca 0.28 1.92 0.04 0.00 -1.03 0.00 0.00 54.13 55.34 1sef s LEU 37 Cb 0.20 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.83 1sef s LEU 37 CO 0.39 -1.45 -0.07 0.68 0.23 0.00 0.00 176.35 176.12 1sef s VAL 38 N -2.41 1.14 0.00 -1.59 -7.23 -1.26 -5.13 120.40 103.92 1sef s VAL 38 Ca 0.65 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.47 1sef s VAL 38 Cb -0.19 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 1sef s VAL 38 CO 0.40 -0.62 1.00 -1.10 -0.31 0.00 0.00 175.10 174.47 1sef s GLN 39 N -3.78 4.55 -0.01 4.82 -0.21 -1.26 -4.48 119.66 119.28 1sef s GLN 39 Ca 0.20 1.45 -0.01 0.00 0.02 0.00 0.00 55.36 57.02 1sef s GLN 39 Cb 0.03 -3.45 -0.04 0.00 1.00 0.00 0.00 33.01 30.55 1sef s GLN 39 CO 0.03 -0.07 0.09 -0.80 -2.12 0.00 0.00 175.29 172.42 1sef s ASN 40 N 1.01 5.77 -0.92 5.90 0.01 -0.15 -5.02 114.94 121.54 1sef s ASN 40 Ca 0.53 0.18 -0.18 0.00 -0.71 0.00 0.00 52.86 52.68 1sef s ASN 40 Cb -0.22 -1.69 0.15 0.00 0.41 0.00 0.00 41.25 39.91 1sef s ASN 40 CO 0.28 0.28 1.08 0.00 -1.51 0.00 0.00 177.10 177.23 1sef s ALA 41 N -1.19 3.51 -0.19 0.60 0.00 -1.26 -4.57 121.76 118.66 1sef s ALA 41 Ca 0.23 -2.88 -0.20 0.00 0.00 0.00 0.00 51.96 49.10 1sef s ALA 41 Cb -0.12 -3.96 -0.03 0.00 0.00 0.00 0.00 23.12 19.01 1sef s ALA 41 CO 0.13 -2.86 0.61 0.08 0.00 0.00 0.00 175.76 173.72 1sef s VAL 42 N 2.22 5.04 0.18 0.00 1.01 -1.26 -5.01 120.40 122.58 1sef s VAL 42 Ca 0.31 1.14 -0.32 0.00 0.00 0.00 0.00 61.98 63.11 1sef s VAL 42 Cb -0.06 -3.93 -0.16 0.00 0.00 0.00 0.00 36.38 32.24 1sef s VAL 42 CO -0.09 0.13 1.13 -2.65 0.00 0.00 0.00 175.10 173.62 1sef n PRO 43 N 4.96 1.12 0.00 2.72 -0.02 -1.26 -2.14 135.00 140.38 1sef n PRO 43 Ca -0.02 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1sef n PRO 43 Cb 0.50 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1sef n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sef n GLY 44 N 1.94 3.28 3.72 -1.23 0.00 -1.26 -4.91 105.19 106.74 1sef n GLY 44 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1sef n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sef s PHE 45 N -2.16 3.55 -0.03 1.61 0.40 -0.91 -1.17 117.98 119.28 1sef s PHE 45 Ca 0.00 1.04 0.03 0.00 -0.60 0.00 0.00 56.93 57.40 1sef s PHE 45 Cb 0.00 -2.64 0.00 0.00 0.51 0.00 0.00 43.02 40.89 1sef s PHE 45 CO 0.00 0.16 -0.09 -1.21 0.70 0.00 0.00 175.22 174.78 1sef s GLU 46 N 0.60 0.99 -1.43 0.44 2.02 0.28 -4.77 118.70 116.83 1sef s GLU 46 Ca 0.30 -0.32 -0.08 0.00 0.02 0.00 0.00 54.97 54.90 1sef s GLU 46 Cb -0.16 -0.92 0.01 0.00 0.10 0.00 0.00 34.13 33.16 1sef s GLU 46 CO 0.14 0.12 1.01 0.09 0.02 0.00 0.00 175.26 176.63 1sef n ASN 47 N 3.29 -6.20 -3.81 -0.19 3.02 -1.26 -0.98 115.26 109.13 1sef n ASN 47 Ca -0.18 -0.49 -0.18 0.00 -0.03 0.00 0.00 54.58 53.70 1sef n ASN 47 Cb 0.54 -4.92 -0.16 0.00 -0.61 0.00 0.00 39.78 34.63 1sef n ASN 47 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1sef s VAL 48 N -3.28 0.20 -0.34 2.41 1.01 -1.26 -1.32 120.40 117.82 1sef s VAL 48 Ca 0.52 0.10 -0.21 0.00 0.00 0.00 0.00 61.98 62.39 1sef s VAL 48 Cb -0.23 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 35.84 1sef s VAL 48 CO 0.64 0.16 0.64 -1.81 0.00 0.00 0.00 175.10 174.73 1sef s ASP 49 N 1.18 6.45 -0.02 3.32 1.01 -0.50 -4.93 116.67 123.17 1sef s ASP 49 Ca -0.08 0.22 0.02 0.00 0.71 0.00 0.00 52.55 53.42 1sef s ASP 49 Cb -0.13 -2.33 0.01 0.00 1.01 0.00 0.00 42.92 41.47 1sef s ASP 49 CO -0.02 -0.58 -0.06 -0.51 0.21 0.00 0.00 175.17 174.21 1sef s ILE 50 N 2.70 0.55 -0.06 0.77 2.07 -1.26 -0.30 121.20 125.68 1sef s ILE 50 Ca 0.25 -0.23 0.05 0.00 -1.41 0.00 0.00 60.65 59.31 1sef s ILE 50 Cb -0.14 -0.51 -0.01 0.00 0.13 0.00 0.00 42.46 41.93 1sef s ILE 50 CO 0.14 0.19 -0.24 -0.44 -1.91 0.00 0.00 174.94 172.68 1sef s SER 51 N 0.28 2.94 -0.09 4.50 0.01 -0.52 -0.98 113.70 119.83 1sef s SER 51 Ca -0.03 -0.50 -0.29 0.00 1.31 0.00 0.00 55.95 56.44 1sef s SER 51 Cb -0.08 -0.91 -0.02 0.00 0.21 0.00 0.00 66.02 65.23 1sef s SER 51 CO -0.00 0.22 0.97 -0.63 0.41 0.00 0.00 173.24 174.20 1sef s ILE 52 N -0.04 4.82 0.00 1.44 1.01 -1.26 -2.15 121.20 125.02 1sef s ILE 52 Ca -0.06 1.97 0.00 0.00 0.00 0.00 0.00 60.65 62.56 1sef s ILE 52 Cb -0.14 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.05 1sef s ILE 52 CO 0.04 0.05 0.00 0.18 0.00 0.00 0.00 174.94 175.21 1sef n LEU 53 N 4.77 0.00 -4.77 2.97 4.77 -0.10 -4.99 117.00 119.65 1sef n LEU 53 Ca 0.07 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.66 1sef n LEU 53 Cb 0.49 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1sef n LEU 53 CO 0.51 0.00 0.93 -0.83 -1.33 0.00 0.00 177.39 176.67 1sef s GLY 54 N 0.00 2.89 0.13 -0.72 0.00 -1.24 -4.84 107.32 103.53 1sef s GLY 54 Ca 0.00 1.17 -0.25 0.00 0.00 0.00 0.00 44.72 45.64 1sef s GLY 54 CO 0.00 1.72 0.92 -1.35 0.00 0.00 0.00 173.10 174.39 1sef s SER 55 N -0.90 -0.23 0.37 1.64 1.04 -1.24 -1.77 113.70 112.61 1sef s SER 55 Ca 0.60 -0.33 0.15 0.00 0.48 0.00 0.00 55.95 56.85 1sef s SER 55 Cb -0.36 0.49 1.01 0.00 0.10 0.00 0.00 66.02 67.25 1sef s SER 55 CO 0.45 -0.88 1.77 -0.65 0.98 0.00 0.00 173.24 174.92 1sef h PRO 56 N 2.00 0.47 0.00 4.02 0.11 -1.56 0.43 132.00 137.47 1sef h PRO 56 Ca -0.24 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1sef h PRO 56 Cb 1.24 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1sef h PRO 56 CO 0.27 0.31 0.00 0.87 -0.21 0.00 0.00 178.00 179.24 1sef h LYS 57 N 0.48 0.00 0.00 1.05 1.57 -1.95 -0.66 116.57 117.06 1sef h LYS 57 Ca 0.60 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.31 1sef h LYS 57 Cb 1.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 1sef h LYS 57 CO -0.34 0.00 -1.34 -0.11 -0.57 0.00 0.00 179.45 177.09 1sef n LEU 58 N -2.37 0.68 0.00 2.94 0.00 0.09 -4.90 117.00 113.44 1sef n LEU 58 Ca 0.01 0.28 0.00 0.00 0.00 0.00 0.00 56.01 56.29 1sef n LEU 58 Cb 0.18 0.01 0.00 0.00 0.00 0.00 0.00 43.42 43.62 1sef n LEU 58 CO 0.18 -0.03 0.00 0.61 0.00 0.00 0.00 177.39 178.15 1sef n GLY 59 N 1.28 1.10 3.83 -3.96 0.00 -0.26 -1.45 105.19 105.74 1sef n GLY 59 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1sef n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sef s ALA 60 N -2.00 3.44 -0.76 4.61 0.00 -0.89 -4.84 121.76 121.32 1sef s ALA 60 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.98 1sef s ALA 60 Cb 0.00 -2.71 0.38 0.00 0.00 0.00 0.00 23.12 20.79 1sef s ALA 60 CO 0.00 0.37 1.94 0.25 0.00 0.00 0.00 175.76 178.32 1sef n THR 61 N 0.44 3.48 -3.90 0.00 -2.24 -1.26 -2.38 114.28 108.42 1sef n THR 61 Ca -0.02 -4.04 -0.01 0.00 -2.27 0.00 0.00 64.05 57.72 1sef n THR 61 Cb 0.52 -1.22 0.01 0.00 -2.10 0.00 0.00 70.33 67.54 1sef n THR 61 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1sef s PHE 62 N -3.97 0.05 -0.03 4.78 -0.71 -1.26 -4.70 117.98 112.14 1sef s PHE 62 Ca 0.55 -0.34 0.01 0.00 -1.04 0.00 0.00 56.93 56.10 1sef s PHE 62 Cb 0.45 0.65 0.03 0.00 -1.21 0.00 0.00 43.02 42.93 1sef s PHE 62 CO -0.30 -0.68 -0.00 0.08 -1.34 0.00 0.00 175.22 172.98 1sef s VAL 63 N -2.15 0.21 0.20 -2.49 1.01 -0.63 -3.68 120.40 112.87 1sef s VAL 63 Ca 0.24 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.34 1sef s VAL 63 Cb -0.02 -0.29 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 1sef s VAL 63 CO 0.03 0.15 -0.11 1.51 0.00 0.00 0.00 175.10 176.68 1sef s ASP 64 N 0.97 2.30 0.09 3.32 3.84 -0.73 -0.97 116.67 125.50 1sef s ASP 64 Ca -0.10 -1.06 -0.04 0.00 -0.00 0.00 0.00 52.55 51.35 1sef s ASP 64 Cb -0.13 -0.09 -0.03 0.00 -1.38 0.00 0.00 42.92 41.29 1sef s ASP 64 CO -0.01 -0.27 0.08 -0.31 -0.00 0.00 0.00 175.17 174.66 1sef s TYR 65 N -3.12 0.47 -0.09 2.11 1.51 0.16 -0.93 117.35 117.46 1sef s TYR 65 Ca 0.22 -0.93 0.02 0.00 -1.01 0.00 0.00 57.07 55.38 1sef s TYR 65 Cb 0.01 -0.28 0.01 0.00 -0.11 0.00 0.00 41.96 41.60 1sef s TYR 65 CO 0.06 -0.49 -0.17 -1.50 -1.11 0.00 0.00 175.55 172.34 1sef s ILE 66 N -3.93 1.54 0.01 2.71 -1.16 -0.91 -0.95 121.20 118.49 1sef s ILE 66 Ca 0.11 -0.69 -0.02 0.00 -0.51 0.00 0.00 60.65 59.54 1sef s ILE 66 Cb 0.06 -1.38 -0.01 0.00 0.61 0.00 0.00 42.46 41.75 1sef s ILE 66 CO -0.07 0.45 0.03 0.00 -2.81 0.00 0.00 174.94 172.53 1sef s ALA 67 N 0.73 -0.04 -0.29 1.50 0.00 -0.40 -1.44 121.76 121.82 1sef s ALA 67 Ca -0.12 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1sef s ALA 67 Cb -0.16 0.08 0.06 0.00 0.00 0.00 0.00 23.12 23.10 1sef s ALA 67 CO 0.03 -0.13 -0.03 0.99 0.00 0.00 0.00 175.76 176.61 1sef s THR 68 N -1.04 2.64 -0.14 0.00 2.01 0.59 -1.10 115.64 118.62 1sef s THR 68 Ca -0.11 -1.56 -0.28 0.00 0.31 0.00 0.00 61.69 60.04 1sef s THR 68 Cb -0.07 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.86 1sef s THR 68 CO -0.00 -0.13 0.96 -0.36 -0.69 0.00 0.00 174.62 174.40 1sef s PHE 69 N 1.17 3.47 0.28 4.92 0.40 0.32 -1.41 117.98 127.13 1sef s PHE 69 Ca -0.05 1.48 0.01 0.00 -0.60 0.00 0.00 56.93 57.77 1sef s PHE 69 Cb -0.20 -3.14 0.05 0.00 0.51 0.00 0.00 43.02 40.24 1sef s PHE 69 CO -0.03 -0.25 0.38 0.72 0.70 0.00 0.00 175.22 176.74 1sef n HIS 70 N 5.20 -3.07 -1.69 0.36 8.25 -0.43 -1.38 115.22 122.46 1sef n HIS 70 Ca 0.08 -0.75 -0.44 0.00 -0.26 0.00 0.00 57.72 56.35 1sef n HIS 70 Cb 0.48 -0.27 -0.04 0.00 1.12 0.00 0.00 29.99 31.28 1sef n HIS 70 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1sef n LYS 71 N -1.68 2.43 -1.30 -0.41 4.81 -1.22 -0.15 118.16 120.64 1sef n LYS 71 Ca 0.07 0.88 -0.10 0.00 -0.87 0.00 0.00 58.31 58.28 1sef n LYS 71 Cb 0.24 -2.69 -0.04 0.00 0.02 0.00 0.00 35.03 32.55 1sef n LYS 71 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1sef n ASN 72 N 4.06 -4.37 -4.76 3.14 5.03 -1.26 -4.93 115.26 112.17 1sef n ASN 72 Ca 0.17 0.26 -0.40 0.00 0.87 0.00 0.00 54.58 55.48 1sef n ASN 72 Cb 0.32 -2.78 -0.04 0.00 -1.02 0.00 0.00 39.78 36.27 1sef n ASN 72 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1sef s GLY 73 N -2.82 3.03 0.10 7.41 0.00 0.78 -4.69 107.32 111.14 1sef s GLY 73 Ca 0.00 0.98 -0.26 0.00 0.00 0.00 0.00 44.72 45.44 1sef s GLY 73 CO 0.00 1.58 0.95 -0.86 0.00 0.00 0.00 173.10 174.76 1sef s GLN 74 N -1.63 1.07 -0.23 2.90 -2.07 -0.15 -1.18 119.66 118.37 1sef s GLN 74 Ca 0.47 -0.54 0.02 0.00 -1.82 0.00 0.00 55.36 53.49 1sef s GLN 74 Cb -0.33 0.39 0.04 0.00 -1.09 0.00 0.00 33.01 32.03 1sef s GLN 74 CO 0.43 -0.48 -0.14 -1.14 -1.32 0.00 0.00 175.29 172.64 1sef s GLN 75 N -3.22 2.43 -0.01 9.60 -0.44 -0.40 -0.56 119.66 127.06 1sef s GLN 75 Ca 0.10 -1.11 0.17 0.00 -2.50 0.00 0.00 55.36 52.03 1sef s GLN 75 Cb -0.01 -2.71 -0.22 0.00 -1.64 0.00 0.00 33.01 28.42 1sef s GLN 75 CO -0.01 -0.44 0.59 0.25 0.50 0.00 0.00 175.29 176.18 1sef n THR 76 N 4.53 0.00 1.03 -0.34 -2.24 -0.32 -2.16 114.28 114.79 1sef n THR 76 Ca -0.16 -0.22 0.11 0.00 -2.27 0.00 0.00 64.05 61.51 1sef n THR 76 Cb 0.45 0.63 0.06 0.00 -2.10 0.00 0.00 70.33 69.37 1sef n THR 76 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1sef n THR 77 N -1.70 0.00 -0.11 4.28 -2.24 -1.26 -5.04 114.28 108.21 1sef n THR 77 Ca 0.01 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1sef n THR 77 Cb 0.35 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 1sef n THR 77 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sef n GLY 78 N 1.46 0.38 0.00 3.38 0.00 -1.26 -5.02 105.19 104.14 1sef n GLY 78 Ca 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1sef n GLY 78 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1sef n PHE 79 N 2.62 0.00 0.00 1.61 7.35 0.16 -4.72 117.46 124.47 1sef n PHE 79 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1sef n PHE 79 Cb 0.00 -0.22 0.00 0.00 0.35 0.00 0.00 39.48 39.61 1sef n PHE 79 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1sef n GLY 80 N 0.12 0.91 0.00 7.13 0.00 -1.26 -4.83 105.19 107.26 1sef n GLY 80 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1sef n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sef n GLY 81 N 5.00 -0.12 3.97 -0.02 0.00 0.10 -4.66 105.19 109.46 1sef n GLY 81 Ca 0.00 -1.87 -0.27 0.00 0.00 0.00 0.00 46.02 43.88 1sef n GLY 81 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sef n ASP 82 N -0.58 -1.27 0.00 1.61 9.92 -0.97 -1.30 116.55 123.96 1sef n ASP 82 Ca 0.00 -0.97 0.00 0.00 -0.53 0.00 0.00 54.79 53.29 1sef n ASP 82 Cb 0.00 -3.17 0.00 0.00 -0.64 0.00 0.00 41.12 37.31 1sef n ASP 82 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1sef n GLY 83 N -1.82 2.11 3.53 0.44 0.00 -0.12 -5.04 105.19 104.28 1sef n GLY 83 Ca -0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 1sef n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sef s ILE 84 N -2.50 4.94 0.42 -0.61 1.01 -0.42 -1.16 121.20 122.89 1sef s ILE 84 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 60.65 60.56 1sef s ILE 84 Cb 0.00 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.05 1sef s ILE 84 CO 0.00 0.24 0.74 0.00 0.00 0.00 0.00 174.94 175.91 1sef s GLN 85 N 1.70 3.63 0.07 2.79 -2.07 -0.20 -0.72 119.66 124.85 1sef s GLN 85 Ca 0.06 0.24 0.00 0.00 -1.82 0.00 0.00 55.36 53.85 1sef s GLN 85 Cb -0.16 -2.43 -0.04 0.00 -1.09 0.00 0.00 33.01 29.29 1sef s GLN 85 CO 0.08 -0.08 -0.05 0.95 -1.32 0.00 0.00 175.29 174.88 1sef s THR 86 N -2.51 0.43 -0.16 3.63 -4.23 -0.72 -1.88 115.64 110.20 1sef s THR 86 Ca 0.48 -1.81 -0.11 0.00 -1.18 0.00 0.00 61.69 59.07 1sef s THR 86 Cb -0.10 -1.51 0.05 0.00 1.34 0.00 0.00 72.50 72.27 1sef s THR 86 CO 0.38 -0.91 0.40 -0.22 -0.54 0.00 0.00 174.62 173.73 1sef s LEU 87 N -2.88 0.19 -0.00 4.79 0.20 -0.44 -0.17 118.68 120.37 1sef s LEU 87 Ca 0.08 0.84 0.06 0.00 0.69 0.00 0.00 54.13 55.80 1sef s LEU 87 Cb 0.06 1.34 -0.02 0.00 -0.43 0.00 0.00 46.19 47.14 1sef s LEU 87 CO -0.07 -0.17 -0.20 0.54 -0.29 0.00 0.00 176.35 176.16 1sef s VAL 88 N 0.84 1.60 -0.07 1.68 0.11 -0.58 -1.14 120.40 122.83 1sef s VAL 88 Ca -0.05 -0.94 0.02 0.00 -2.93 0.00 0.00 61.98 58.08 1sef s VAL 88 Cb -0.06 -1.34 0.02 0.00 -1.53 0.00 0.00 36.38 33.46 1sef s VAL 88 CO -0.06 0.39 -0.11 -0.47 -3.33 0.00 0.00 175.10 171.51 1sef s TYR 89 N -0.55 1.44 -0.40 1.54 5.04 -0.17 -1.82 117.35 122.43 1sef s TYR 89 Ca 0.08 -0.56 -0.23 0.00 -2.44 0.00 0.00 57.07 53.92 1sef s TYR 89 Cb -0.08 -1.08 0.02 0.00 0.35 0.00 0.00 41.96 41.17 1sef s TYR 89 CO -0.00 -0.31 0.75 0.08 -1.34 0.00 0.00 175.55 174.73 1sef s VAL 90 N 0.84 4.73 -0.00 3.14 1.01 -0.21 -0.76 120.40 129.14 1sef s VAL 90 Ca -0.11 0.60 -0.21 0.00 0.00 0.00 0.00 61.98 62.26 1sef s VAL 90 Cb -0.15 -4.24 -0.21 0.00 0.00 0.00 0.00 36.38 31.78 1sef s VAL 90 CO 0.02 -0.54 1.14 0.40 0.00 0.00 0.00 175.10 176.12 1sef h ILE 91 N 5.84 1.44 -2.46 2.22 1.08 -0.92 0.10 117.51 124.81 1sef h ILE 91 Ca -0.25 -1.83 -0.09 0.00 -0.39 0.00 0.00 64.86 62.30 1sef h ILE 91 Cb 1.09 2.45 -0.21 0.00 -3.07 0.00 0.00 36.82 37.08 1sef h ILE 91 CO 0.92 0.52 -0.06 -0.62 -0.69 0.00 0.00 178.15 178.23 1sef s ASP 92 N -6.45 -0.50 0.00 1.72 2.15 -0.97 -4.52 116.67 108.09 1sef s ASP 92 Ca -0.14 0.75 0.00 0.00 0.43 0.00 0.00 52.55 53.59 1sef s ASP 92 Cb 0.03 0.77 0.00 0.00 -0.30 0.00 0.00 42.92 43.42 1sef s ASP 92 CO 0.78 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 176.03 1sef n GLY 93 N 1.93 -0.87 2.87 2.66 0.00 -1.26 -0.48 105.19 110.04 1sef n GLY 93 Ca -0.17 -1.96 -0.17 0.00 0.00 0.00 0.00 46.02 43.72 1sef n GLY 93 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sef s ARG 94 N 0.00 0.40 0.03 1.61 0.52 -1.26 -2.64 118.95 117.61 1sef s ARG 94 Ca 0.00 -0.03 0.04 0.00 -0.52 0.00 0.00 55.73 55.22 1sef s ARG 94 Cb 0.00 -0.48 -0.02 0.00 0.52 0.00 0.00 34.95 34.97 1sef s ARG 94 CO 0.00 -0.05 -0.12 -1.17 0.02 0.00 0.00 175.30 173.98 1sef s LEU 95 N 0.62 2.14 -0.19 2.53 0.20 0.29 -0.84 118.68 123.43 1sef s LEU 95 Ca -0.07 -0.39 -0.04 0.00 0.69 0.00 0.00 54.13 54.33 1sef s LEU 95 Cb -0.10 -0.53 -0.02 0.00 -0.43 0.00 0.00 46.19 45.11 1sef s LEU 95 CO -0.01 0.03 -0.03 -0.60 -0.29 0.00 0.00 176.35 175.46 1sef s ARG 96 N -0.93 3.57 -0.04 1.98 3.52 0.85 0.24 118.95 128.14 1sef s ARG 96 Ca 0.01 -0.55 0.06 0.00 -0.13 0.00 0.00 55.73 55.12 1sef s ARG 96 Cb -0.07 -2.99 -0.01 0.00 -1.56 0.00 0.00 34.95 30.32 1sef s ARG 96 CO 0.01 0.05 -0.22 0.14 -0.81 0.00 0.00 175.30 174.46 1sef s VAL 97 N 0.88 1.81 0.03 7.11 -7.23 -0.08 -1.48 120.40 121.43 1sef s VAL 97 Ca -0.00 -0.95 -0.06 0.00 -1.81 0.00 0.00 61.98 59.16 1sef s VAL 97 Cb -0.14 -1.52 -0.01 0.00 0.56 0.00 0.00 36.38 35.27 1sef s VAL 97 CO 0.02 0.51 0.11 -0.55 -0.31 0.00 0.00 175.10 174.87 1sef s SER 98 N -0.29 0.12 0.00 4.85 0.15 -0.27 -0.19 113.70 118.07 1sef s SER 98 Ca 0.02 -0.42 0.15 0.00 0.70 0.00 0.00 55.95 56.40 1sef s SER 98 Cb -0.11 0.21 0.35 0.00 -1.71 0.00 0.00 66.02 64.77 1sef s SER 98 CO 0.01 -0.45 1.27 -0.90 1.20 0.00 0.00 173.24 174.37 1sef n ASP 99 N 1.04 3.04 0.00 5.45 3.85 -0.97 -0.49 116.55 128.47 1sef n ASP 99 Ca -0.21 -1.92 0.00 0.00 -0.71 0.00 0.00 54.79 51.96 1sef n ASP 99 Cb 0.57 -0.25 0.00 0.00 -1.35 0.00 0.00 41.12 40.10 1sef n ASP 99 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1sef n GLY 100 N 0.88 3.39 0.99 6.12 0.00 -1.26 -4.74 105.19 110.57 1sef n GLY 100 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 1sef n GLY 100 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sef n GLN 101 N -1.80 0.01 -4.83 1.61 7.27 -1.26 -5.04 117.38 113.34 1sef n GLN 101 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.74 1sef n GLN 101 Cb 0.00 -0.51 -0.13 0.00 2.41 0.00 0.00 30.24 32.01 1sef n GLN 101 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 1sef s GLU 102 N -2.00 2.53 0.10 3.69 -1.05 -1.26 -5.12 118.70 115.58 1sef s GLU 102 Ca -0.00 -0.68 0.09 0.00 -0.15 0.00 0.00 54.97 54.22 1sef s GLU 102 Cb 0.00 -2.41 -0.03 0.00 -0.44 0.00 0.00 34.13 31.24 1sef s GLU 102 CO 0.00 0.63 -0.22 0.99 0.95 0.00 0.00 175.26 177.61 1sef s THR 103 N -0.76 1.82 0.02 1.83 2.01 -1.26 -2.30 115.64 116.99 1sef s THR 103 Ca 0.12 -1.54 0.03 0.00 0.31 0.00 0.00 61.69 60.61 1sef s THR 103 Cb -0.11 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 1sef s THR 103 CO 0.01 0.01 -0.11 -1.00 -0.69 0.00 0.00 174.62 172.84 1sef s HIS 104 N -1.10 0.95 -0.25 4.92 3.76 0.73 -4.99 115.29 119.31 1sef s HIS 104 Ca 0.08 -0.29 -0.09 0.00 -0.15 0.00 0.00 55.06 54.61 1sef s HIS 104 Cb -0.10 -0.58 -0.04 0.00 1.11 0.00 0.00 32.58 32.98 1sef s HIS 104 CO 0.04 -0.00 0.11 -1.21 -0.85 0.00 0.00 174.74 172.83 1sef s GLU 105 N -0.84 3.79 -0.04 1.40 0.41 -1.26 -0.90 118.70 121.26 1sef s GLU 105 Ca 0.00 -0.41 0.04 0.00 -0.41 0.00 0.00 54.97 54.20 1sef s GLU 105 Cb -0.06 -3.42 -0.03 0.00 -1.78 0.00 0.00 34.13 28.84 1sef s GLU 105 CO 0.00 -0.13 -0.16 -0.51 -0.49 0.00 0.00 175.26 173.97 1sef s LEU 106 N 1.51 2.64 0.53 1.80 1.43 0.14 -4.97 118.68 121.75 1sef s LEU 106 Ca 0.06 -0.24 0.06 0.00 -1.03 0.00 0.00 54.13 52.98 1sef s LEU 106 Cb -0.15 -1.52 0.03 0.00 0.03 0.00 0.00 46.19 44.58 1sef s LEU 106 CO 0.06 0.34 0.41 -1.61 0.23 0.00 0.00 176.35 175.78 1sef s GLU 107 N -0.75 2.28 0.12 1.70 2.02 -1.26 -0.55 118.70 122.26 1sef s GLU 107 Ca 0.11 -1.94 -0.35 0.00 0.02 0.00 0.00 54.97 52.81 1sef s GLU 107 Cb -0.11 -2.15 -0.15 0.00 0.10 0.00 0.00 34.13 31.83 1sef s GLU 107 CO 0.00 -0.56 1.50 0.00 0.02 0.00 0.00 175.26 176.22 1sef n ALA 108 N -1.74 0.45 -0.03 5.21 0.00 -1.08 0.00 120.51 123.32 1sef n ALA 108 Ca -0.00 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1sef n ALA 108 Cb 0.64 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1sef n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sef n GLY 109 N 3.13 0.74 3.89 0.00 0.00 0.36 -4.92 105.19 108.39 1sef n GLY 109 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1sef n GLY 109 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sef s GLY 110 N -1.91 1.78 0.19 -0.02 0.00 0.10 -1.48 107.32 105.97 1sef s GLY 110 Ca 0.00 -0.33 -0.18 0.00 0.00 0.00 0.00 44.72 44.21 1sef s GLY 110 CO 0.00 -0.15 0.52 -2.52 0.00 0.00 0.00 173.10 170.95 1sef s TYR 111 N -2.50 -0.17 -0.09 1.90 1.13 -0.45 -1.04 117.35 116.12 1sef s TYR 111 Ca 0.49 -0.16 -0.05 0.00 -1.41 0.00 0.00 57.07 55.95 1sef s TYR 111 Cb -0.10 0.40 0.04 0.00 -1.10 0.00 0.00 41.96 41.20 1sef s TYR 111 CO 0.36 -0.90 0.22 0.00 -2.51 0.00 0.00 175.55 172.73 1sef s ALA 112 N -3.85 -0.50 -0.19 9.51 0.00 -0.76 -1.86 121.76 124.12 1sef s ALA 112 Ca 0.08 0.88 -0.02 0.00 0.00 0.00 0.00 51.96 52.89 1sef s ALA 112 Cb -0.01 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 1sef s ALA 112 CO -0.05 -0.17 -0.08 -0.47 0.00 0.00 0.00 175.76 174.99 1sef s TYR 113 N 1.06 2.91 -0.06 0.00 6.14 0.19 -1.52 117.35 126.06 1sef s TYR 113 Ca -0.08 -0.83 -0.00 0.00 0.64 0.00 0.00 57.07 56.80 1sef s TYR 113 Cb -0.09 -2.00 -0.03 0.00 0.42 0.00 0.00 41.96 40.25 1sef s TYR 113 CO -0.07 -0.42 -0.03 -0.06 0.64 0.00 0.00 175.55 175.61 1sef s PHE 114 N 1.03 3.04 0.86 4.97 0.40 0.76 -1.94 117.98 127.09 1sef s PHE 114 Ca -0.00 0.09 -0.11 0.00 -0.60 0.00 0.00 56.93 56.31 1sef s PHE 114 Cb -0.15 -1.73 0.11 0.00 0.51 0.00 0.00 43.02 41.76 1sef s PHE 114 CO -0.01 0.40 1.10 0.95 0.70 0.00 0.00 175.22 178.36 1sef s THR 115 N -0.88 2.84 -1.26 0.64 -4.23 -1.26 -1.76 115.64 109.73 1sef s THR 115 Ca 0.14 0.27 0.01 0.00 -1.18 0.00 0.00 61.69 60.93 1sef s THR 115 Cb -0.11 -2.68 0.02 0.00 1.34 0.00 0.00 72.50 71.07 1sef s THR 115 CO 0.03 -0.36 0.92 -0.81 -0.54 0.00 0.00 174.62 173.87 1sef n PRO 116 N -3.82 0.01 -0.03 3.99 -0.04 -1.26 -2.07 135.00 131.78 1sef n PRO 116 Ca 0.08 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1sef n PRO 116 Cb 0.54 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 1sef n PRO 116 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1sef n GLU 117 N -1.37 0.66 -3.99 0.54 4.71 -1.26 -0.94 120.64 118.99 1sef n GLU 117 Ca 0.01 -0.03 -0.36 0.00 -0.01 0.00 0.00 57.16 56.77 1sef n GLU 117 Cb 0.01 -1.59 -0.07 0.00 -1.01 0.00 0.00 31.44 28.78 1sef n GLU 117 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1sef s MET 118 N -2.99 3.35 0.30 3.49 0.23 -0.88 -4.55 119.30 118.25 1sef s MET 118 Ca -0.07 -0.20 -0.12 0.00 -1.03 0.00 0.00 55.69 54.27 1sef s MET 118 Cb 0.10 -3.10 -0.08 0.00 -1.53 0.00 0.00 34.83 30.21 1sef s MET 118 CO 0.85 0.75 0.67 0.15 -2.03 0.00 0.00 175.02 175.42 1sef s LYS 119 N -0.97 3.89 -0.19 3.16 1.02 -1.26 -3.51 119.74 121.88 1sef s LYS 119 Ca 0.14 0.48 -0.04 0.00 0.02 0.00 0.00 55.97 56.57 1sef s LYS 119 Cb -0.12 -2.51 -0.02 0.00 -0.52 0.00 0.00 37.83 34.66 1sef s LYS 119 CO 0.04 0.19 -0.03 1.41 -0.92 0.00 0.00 175.35 176.04 1sef s MET 120 N -3.07 3.56 -0.01 1.68 -2.45 -1.26 -4.33 119.30 113.42 1sef s MET 120 Ca 0.51 -0.56 0.02 0.00 -1.25 0.00 0.00 55.69 54.41 1sef s MET 120 Cb -0.11 -3.00 -0.03 0.00 1.25 0.00 0.00 34.83 32.94 1sef s MET 120 CO 0.21 0.02 -0.02 0.71 1.05 0.00 0.00 175.02 176.99 1sef s TYR 121 N 0.94 3.02 0.11 4.11 1.51 0.36 0.37 117.35 127.78 1sef s TYR 121 Ca 0.00 0.06 0.04 0.00 -1.01 0.00 0.00 57.07 56.16 1sef s TYR 121 Cb -0.14 -1.67 -0.04 0.00 -0.11 0.00 0.00 41.96 40.00 1sef s TYR 121 CO 0.01 0.43 -0.10 -0.51 -1.11 0.00 0.00 175.55 174.28 1sef s LEU 122 N -1.40 2.46 -0.28 -1.29 1.43 -0.92 -1.12 118.68 117.57 1sef s LEU 122 Ca 0.18 -0.90 -0.22 0.00 -1.03 0.00 0.00 54.13 52.16 1sef s LEU 122 Cb -0.11 -0.28 0.09 0.00 0.03 0.00 0.00 46.19 45.91 1sef s LEU 122 CO 0.08 -0.31 0.78 0.00 0.23 0.00 0.00 176.35 177.12 1sef s ALA 123 N -2.86 -1.87 0.30 4.21 0.00 -0.55 -1.28 121.76 119.72 1sef s ALA 123 Ca 0.09 2.12 -0.29 0.00 0.00 0.00 0.00 51.96 53.88 1sef s ALA 123 Cb -0.00 -1.32 -0.11 0.00 0.00 0.00 0.00 23.12 21.70 1sef s ALA 123 CO -0.01 -0.33 1.46 1.21 0.00 0.00 0.00 175.76 178.09 1sef s ASN 124 N 0.74 6.54 0.00 0.00 3.84 -0.32 -0.11 114.94 125.63 1sef s ASN 124 Ca -0.03 2.82 0.25 0.00 0.21 0.00 0.00 52.86 56.12 1sef s ASN 124 Cb -0.05 -2.64 0.53 0.00 -0.55 0.00 0.00 41.25 38.54 1sef s ASN 124 CO -0.06 -0.75 1.44 0.00 -2.79 0.00 0.00 177.10 174.94 1sef n ALA 125 N 1.57 2.74 -2.33 1.71 0.00 -0.02 -4.73 120.51 119.46 1sef n ALA 125 Ca 0.04 -0.56 -0.19 0.00 0.00 0.00 0.00 53.44 52.74 1sef n ALA 125 Cb 0.40 -0.97 -0.09 0.00 0.00 0.00 0.00 19.45 18.78 1sef n ALA 125 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1sef s GLN 126 N -2.14 1.63 -0.01 0.00 -2.07 -1.26 -4.95 119.66 110.86 1sef s GLN 126 Ca 0.30 -1.93 -0.03 0.00 -1.82 0.00 0.00 55.36 51.87 1sef s GLN 126 Cb 0.20 -0.00 -0.28 0.00 -1.09 0.00 0.00 33.01 31.84 1sef s GLN 126 CO 0.38 -0.50 0.80 0.93 -1.32 0.00 0.00 175.29 175.58 1sef h GLU 127 N 2.20 0.25 -7.31 9.60 5.08 -1.94 -3.43 114.58 119.03 1sef h GLU 127 Ca -0.32 -0.43 -0.51 0.00 -1.00 0.00 0.00 59.36 57.10 1sef h GLU 127 Cb 1.25 0.16 0.14 0.00 0.50 0.00 0.00 28.75 30.80 1sef h GLU 127 CO 0.49 1.11 0.30 0.00 -1.00 0.00 0.00 179.01 179.90 1sef s ALA 128 N -2.61 2.06 0.53 3.43 0.00 -1.26 -3.43 121.76 120.50 1sef s ALA 128 Ca -0.10 0.28 -0.22 0.00 0.00 0.00 0.00 51.96 51.92 1sef s ALA 128 Cb 0.07 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 1sef s ALA 128 CO 0.85 -1.97 1.34 -0.51 0.00 0.00 0.00 175.76 175.47 1sef s ASP 129 N -3.29 5.37 -0.09 0.00 1.01 -1.26 -4.71 116.67 113.70 1sef s ASP 129 Ca 0.62 2.73 0.01 0.00 0.71 0.00 0.00 52.55 56.62 1sef s ASP 129 Cb -0.18 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.13 1sef s ASP 129 CO 0.56 -1.50 -0.11 0.42 0.21 0.00 0.00 175.17 174.75 1sef s THR 130 N -1.32 1.18 -0.20 -1.27 -4.23 -0.48 -4.64 115.64 104.69 1sef s THR 130 Ca 0.70 -0.45 -0.16 0.00 -1.18 0.00 0.00 61.69 60.61 1sef s THR 130 Cb -0.39 -1.12 -0.04 0.00 1.34 0.00 0.00 72.50 72.29 1sef s THR 130 CO 0.47 0.38 0.40 -0.70 -0.54 0.00 0.00 174.62 174.63 1sef s GLU 131 N 1.12 4.18 0.06 3.99 2.56 0.36 -0.52 118.70 130.45 1sef s GLU 131 Ca -0.06 0.20 0.03 0.00 0.00 0.00 0.00 54.97 55.15 1sef s GLU 131 Cb -0.14 -3.53 -0.03 0.00 2.00 0.00 0.00 34.13 32.43 1sef s GLU 131 CO -0.02 -0.03 -0.09 0.14 -0.56 0.00 0.00 175.26 174.69 1sef s VAL 132 N 1.28 0.72 -0.16 3.70 -7.23 -0.26 -0.21 120.40 118.25 1sef s VAL 132 Ca 0.19 -1.24 -0.03 0.00 -1.81 0.00 0.00 61.98 59.09 1sef s VAL 132 Cb -0.15 -0.86 -0.02 0.00 0.56 0.00 0.00 36.38 35.91 1sef s VAL 132 CO 0.08 -0.39 -0.06 0.12 -0.31 0.00 0.00 175.10 174.53 1sef s PHE 133 N -1.60 2.95 0.07 2.82 5.36 0.06 -1.27 117.98 126.37 1sef s PHE 133 Ca -0.05 -0.51 0.07 0.00 -0.96 0.00 0.00 56.93 55.48 1sef s PHE 133 Cb -0.08 -1.96 -0.04 0.00 -0.34 0.00 0.00 43.02 40.60 1sef s PHE 133 CO 0.00 -0.18 -0.15 -0.51 -1.46 0.00 0.00 175.22 172.92 1sef s LEU 134 N 0.59 2.81 -0.05 6.12 1.43 -0.13 -0.99 118.68 128.46 1sef s LEU 134 Ca -0.04 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.53 1sef s LEU 134 Cb -0.15 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.46 1sef s LEU 134 CO 0.03 0.22 0.27 -0.47 0.23 0.00 0.00 176.35 176.63 1sef s TYR 135 N -1.05 -0.19 -0.07 0.29 6.14 -0.30 0.37 117.35 122.54 1sef s TYR 135 Ca 0.17 0.38 -0.12 0.00 0.64 0.00 0.00 57.07 58.15 1sef s TYR 135 Cb -0.11 0.07 0.02 0.00 0.42 0.00 0.00 41.96 42.37 1sef s TYR 135 CO 0.09 -0.28 0.29 -1.59 0.64 0.00 0.00 175.55 174.69 1sef s LYS 136 N -0.78 0.46 -0.11 4.97 -2.85 -0.14 -1.33 119.74 119.96 1sef s LYS 136 Ca -0.09 0.16 -0.10 0.00 -1.00 0.00 0.00 55.97 54.93 1sef s LYS 136 Cb -0.04 0.21 0.03 0.00 -2.06 0.00 0.00 37.83 35.97 1sef s LYS 136 CO 0.02 -0.09 0.30 0.21 0.10 0.00 0.00 175.35 175.89 1sef s LYS 137 N -0.44 0.35 0.03 1.78 2.20 -0.79 -1.60 119.74 121.28 1sef s LYS 137 Ca -0.06 0.42 -0.30 0.00 -0.36 0.00 0.00 55.97 55.67 1sef s LYS 137 Cb -0.04 0.17 -0.06 0.00 -1.51 0.00 0.00 37.83 36.39 1sef s LYS 137 CO 0.02 -0.05 1.34 0.50 -0.36 0.00 0.00 175.35 176.81 1sef s ARG 138 N 0.19 4.32 0.21 4.03 3.52 -1.26 -1.04 118.95 128.93 1sef s ARG 138 Ca -0.00 1.93 -0.30 0.00 -0.13 0.00 0.00 55.73 57.23 1sef s ARG 138 Cb -0.02 -3.45 -0.08 0.00 -1.56 0.00 0.00 34.95 29.83 1sef s ARG 138 CO 0.00 -0.47 1.21 -0.47 -0.81 0.00 0.00 175.30 174.76 1sef s TYR 139 N 1.82 3.39 -0.37 5.12 6.14 -0.31 -4.91 117.35 128.23 1sef s TYR 139 Ca 0.62 1.43 -0.10 0.00 0.64 0.00 0.00 57.07 59.66 1sef s TYR 139 Cb -0.32 -3.46 0.04 0.00 0.42 0.00 0.00 41.96 38.64 1sef s TYR 139 CO 0.27 -1.27 0.19 -1.14 0.64 0.00 0.00 175.55 174.25 1sef s GLN 140 N -0.48 2.76 0.75 4.97 0.74 -1.26 -5.01 119.66 122.12 1sef s GLN 140 Ca 0.52 -1.14 -0.12 0.00 0.05 0.00 0.00 55.36 54.66 1sef s GLN 140 Cb -0.34 -3.69 0.05 0.00 1.10 0.00 0.00 33.01 30.13 1sef s GLN 140 CO 0.39 -0.73 1.12 -1.25 -0.55 0.00 0.00 175.29 174.27 1sef s PRO 141 N 1.51 2.22 -0.11 1.67 0.04 -1.26 -4.81 135.00 134.27 1sef s PRO 141 Ca 0.01 1.38 -0.05 0.00 0.04 0.00 0.00 61.00 62.38 1sef s PRO 141 Cb -0.20 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.52 1sef s PRO 141 CO 0.06 -1.70 0.24 -1.17 0.04 0.00 0.00 177.00 174.46 1sef s LEU 142 N -5.59 0.18 0.15 -3.56 2.96 -1.26 -5.09 118.68 106.47 1sef s LEU 142 Ca 0.66 0.51 -0.34 0.00 -0.22 0.00 0.00 54.13 54.74 1sef s LEU 142 Cb -0.21 0.65 -0.16 0.00 0.50 0.00 0.00 46.19 46.98 1sef s LEU 142 CO 0.50 -0.19 1.22 0.00 -1.32 0.00 0.00 176.35 176.56 1sef n ALA 143 N 4.66 -0.73 -0.70 5.97 0.00 -1.26 -1.37 120.51 127.07 1sef n ALA 143 Ca -0.18 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1sef n ALA 143 Cb 0.52 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1sef n ALA 143 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sef n GLY 144 N 2.17 1.28 3.24 0.00 0.00 -1.26 -5.02 105.19 105.59 1sef n GLY 144 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 1sef n GLY 144 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sef s HIS 145 N -3.58 1.30 -0.27 1.61 3.76 -0.47 -5.03 115.29 112.60 1sef s HIS 145 Ca 0.00 -0.64 -0.21 0.00 -0.15 0.00 0.00 55.06 54.06 1sef s HIS 145 Cb 0.00 -0.67 0.08 0.00 1.11 0.00 0.00 32.58 33.09 1sef s HIS 145 CO 0.00 0.11 0.71 -1.14 -0.85 0.00 0.00 174.74 173.57 1sef s GLN 146 N -3.11 0.77 0.72 1.40 0.74 -1.26 -4.53 119.66 114.40 1sef s GLN 146 Ca 0.11 1.10 -0.11 0.00 0.05 0.00 0.00 55.36 56.51 1sef s GLN 146 Cb -0.02 0.28 0.02 0.00 1.10 0.00 0.00 33.01 34.40 1sef s GLN 146 CO 0.02 -0.12 1.08 -1.25 -0.55 0.00 0.00 175.29 174.46 1sef s PRO 147 N 0.97 2.72 0.04 1.67 0.04 -0.74 -4.72 135.00 134.97 1sef s PRO 147 Ca -0.05 0.67 -0.03 0.00 0.04 0.00 0.00 61.00 61.64 1sef s PRO 147 Cb -0.05 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1sef s PRO 147 CO -0.09 -1.18 0.03 1.52 0.04 0.00 0.00 177.00 177.32 1sef s TYR 148 N -3.19 0.33 0.33 0.56 -0.85 -1.26 -4.97 117.35 108.29 1sef s TYR 148 Ca 0.59 -0.72 -0.29 0.00 -0.52 0.00 0.00 57.07 56.13 1sef s TYR 148 Cb -0.13 -0.24 -0.12 0.00 0.38 0.00 0.00 41.96 41.85 1sef s TYR 148 CO 0.54 -0.34 1.39 1.17 -1.52 0.00 0.00 175.55 176.78 1sef n LYS 149 N 0.67 2.30 -3.96 -3.49 4.81 -1.26 -4.82 118.16 112.41 1sef n LYS 149 Ca -0.18 0.81 -0.21 0.00 -0.87 0.00 0.00 58.31 57.86 1sef n LYS 149 Cb 0.59 -2.46 -0.17 0.00 0.02 0.00 0.00 35.03 33.01 1sef n LYS 149 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1sef s VAL 150 N -0.81 0.42 -0.06 3.15 1.01 -0.82 -5.00 120.40 118.29 1sef s VAL 150 Ca 0.58 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.58 1sef s VAL 150 Cb -0.55 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.33 1sef s VAL 150 CO 0.59 0.23 -0.09 -0.69 0.00 0.00 0.00 175.10 175.14 1sef s VAL 151 N 1.40 0.90 0.00 2.92 1.01 -1.26 0.55 120.40 125.91 1sef s VAL 151 Ca -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1sef s VAL 151 Cb -0.13 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.38 1sef s VAL 151 CO -0.03 0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1sef n GLY 152 N 4.06 2.40 3.22 4.51 0.00 -0.77 -5.02 105.19 113.59 1sef n GLY 152 Ca -0.22 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 1sef n GLY 152 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sef s SER 153 N 0.37 -0.38 0.54 1.61 0.15 -1.26 -1.35 113.70 113.39 1sef s SER 153 Ca 0.00 0.72 0.27 0.00 0.70 0.00 0.00 55.95 57.64 1sef s SER 153 Cb 0.00 0.68 1.57 0.00 -1.71 0.00 0.00 66.02 66.56 1sef s SER 153 CO 0.00 -0.14 2.15 0.40 1.20 0.00 0.00 173.24 176.84 1sef h ILE 154 N 4.97 0.61 0.00 6.45 5.03 -1.62 -2.03 117.51 130.93 1sef h ILE 154 Ca -0.31 -0.30 0.00 0.00 -0.12 0.00 0.00 64.86 64.13 1sef h ILE 154 Cb 1.18 1.19 0.00 0.00 -3.03 0.00 0.00 36.82 36.16 1sef h ILE 154 CO 0.30 0.07 0.00 1.41 -0.68 0.00 0.00 178.15 179.25 1sef n HIS 155 N -3.81 0.00 -0.32 1.37 8.25 -1.26 -2.21 115.22 117.23 1sef n HIS 155 Ca -0.02 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.49 1sef n HIS 155 Cb 0.17 -0.39 0.14 0.00 1.12 0.00 0.00 29.99 31.03 1sef n HIS 155 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1sef n ASP 156 N -1.39 2.89 -4.28 0.41 8.00 -0.76 -4.99 116.55 116.43 1sef n ASP 156 Ca 0.07 -2.22 -0.29 0.00 0.71 0.00 0.00 54.79 53.06 1sef n ASP 156 Cb 0.20 -0.25 -0.15 0.00 -0.02 0.00 0.00 41.12 40.89 1sef n ASP 156 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1sef s GLN 157 N -1.40 1.84 -0.33 -1.24 -0.21 -0.94 -5.02 119.66 112.36 1sef s GLN 157 Ca 0.23 -0.91 -0.20 0.00 0.02 0.00 0.00 55.36 54.50 1sef s GLN 157 Cb 0.14 -1.84 -0.00 0.00 1.00 0.00 0.00 33.01 32.30 1sef s GLN 157 CO 0.11 0.50 0.60 -1.14 -2.12 0.00 0.00 175.29 173.24 1sef s GLN 158 N -0.76 3.77 0.72 2.91 2.00 -1.26 -4.98 119.66 122.06 1sef s GLN 158 Ca 0.09 0.12 -0.12 0.00 -2.00 0.00 0.00 55.36 53.45 1sef s GLN 158 Cb -0.09 -3.77 0.03 0.00 0.80 0.00 0.00 33.01 29.98 1sef s GLN 158 CO -0.00 -0.64 1.09 -1.25 -0.50 0.00 0.00 175.29 173.99 1sef s PRO 159 N 2.59 2.57 0.24 1.67 0.04 -1.26 -5.00 135.00 135.85 1sef s PRO 159 Ca 0.23 1.19 -0.01 0.00 0.04 0.00 0.00 61.00 62.45 1sef s PRO 159 Cb -0.15 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1sef s PRO 159 CO 0.13 -1.41 0.45 -1.21 0.04 0.00 0.00 177.00 175.00 1sef s GLU 160 N -4.67 3.54 -0.57 4.56 2.02 -0.14 -4.82 118.70 118.62 1sef s GLU 160 Ca 0.62 -0.27 -0.28 0.00 0.02 0.00 0.00 54.97 55.06 1sef s GLU 160 Cb -0.17 -2.78 0.03 0.00 0.10 0.00 0.00 34.13 31.31 1sef s GLU 160 CO 0.51 0.33 1.21 -1.21 0.02 0.00 0.00 175.26 176.12 1sef s GLU 161 N -3.49 3.51 -0.04 1.61 2.02 -1.26 -0.45 118.70 120.59 1sef s GLU 161 Ca 0.40 0.29 -0.35 0.00 0.02 0.00 0.00 54.97 55.34 1sef s GLU 161 Cb -0.11 -4.02 -0.13 0.00 0.10 0.00 0.00 34.13 29.98 1sef s GLU 161 CO 0.30 -1.69 1.79 0.98 0.02 0.00 0.00 175.26 176.66 1sef n TYR 162 N 8.51 2.27 -2.38 1.61 9.36 -0.23 -1.16 117.16 135.14 1sef n TYR 162 Ca 0.09 0.12 -0.14 0.00 3.32 0.00 0.00 57.90 61.29 1sef n TYR 162 Cb 0.49 -2.61 -0.01 0.00 -0.63 0.00 0.00 39.34 36.58 1sef n TYR 162 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1sef n GLU 163 N 5.69 -2.09 -0.97 2.98 1.02 -1.26 -0.76 120.64 125.25 1sef n GLU 163 Ca 0.22 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 58.03 1sef n GLU 163 Cb 0.28 -5.27 0.00 0.00 -0.02 0.00 0.00 31.44 26.43 1sef n GLU 163 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sef n GLY 164 N -0.81 0.46 3.80 0.62 0.00 -0.31 -5.01 105.19 103.95 1sef n GLY 164 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1sef n GLY 164 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sef s MET 165 N -0.43 4.28 0.38 1.61 -1.94 0.06 -4.99 119.30 118.29 1sef s MET 165 Ca 0.00 0.84 0.23 0.00 -1.71 0.00 0.00 55.69 55.05 1sef s MET 165 Cb 0.00 -3.20 0.27 0.00 2.01 0.00 0.00 34.83 33.90 1sef s MET 165 CO 0.00 0.60 1.48 1.79 -0.01 0.00 0.00 175.02 178.88 1sef h THR 166 N 3.38 0.00 -0.64 2.05 1.35 -1.93 -3.32 112.91 113.81 1sef h THR 166 Ca -0.49 -0.99 0.00 0.00 -0.55 0.00 0.00 66.41 64.38 1sef h THR 166 Cb 1.21 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 1sef h THR 166 CO 0.64 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.01 1sef n ASP 167 N -2.99 3.43 -3.77 5.36 5.68 -1.26 -4.83 116.55 118.16 1sef n ASP 167 Ca 0.03 -2.00 -0.21 0.00 -0.50 0.00 0.00 54.79 52.11 1sef n ASP 167 Cb 0.53 -0.43 -0.17 0.00 -1.14 0.00 0.00 41.12 39.91 1sef n ASP 167 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1sef s VAL 168 N -1.15 0.27 -0.06 2.12 1.01 -1.25 -1.40 120.40 119.95 1sef s VAL 168 Ca 0.43 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.57 1sef s VAL 168 Cb 0.22 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 1sef s VAL 168 CO 0.29 0.22 -0.09 -0.76 0.00 0.00 0.00 175.10 174.76 1sef s LEU 169 N 1.74 3.05 -0.11 3.92 1.43 -0.24 -1.06 118.68 127.40 1sef s LEU 169 Ca 0.01 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 1sef s LEU 169 Cb -0.13 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.45 1sef s LEU 169 CO -0.04 0.35 -0.19 -0.22 0.23 0.00 0.00 176.35 176.49 1sef s LEU 170 N -0.82 1.90 -0.04 1.79 2.96 0.41 -1.45 118.68 123.42 1sef s LEU 170 Ca 0.12 -0.50 -0.00 0.00 -0.22 0.00 0.00 54.13 53.54 1sef s LEU 170 Cb -0.11 -1.24 -0.03 0.00 0.50 0.00 0.00 46.19 45.31 1sef s LEU 170 CO 0.01 0.07 0.00 0.26 -1.32 0.00 0.00 176.35 175.37 1sef s TRP 171 N 0.78 3.12 -0.16 5.38 0.51 0.04 -0.96 118.94 127.63 1sef s TRP 171 Ca -0.10 0.14 0.00 0.00 -2.12 0.00 0.00 56.10 54.02 1sef s TRP 171 Cb -0.16 -1.73 0.03 0.00 -0.81 0.00 0.00 33.47 30.81 1sef s TRP 171 CO 0.01 0.46 -0.09 -1.12 -0.51 0.00 0.00 176.95 175.70 1sef s SER 172 N -1.23 2.86 0.23 2.95 0.01 -1.26 -1.89 113.70 115.37 1sef s SER 172 Ca 0.17 -0.63 0.11 0.00 1.31 0.00 0.00 55.95 56.91 1sef s SER 172 Cb -0.11 -1.07 0.15 0.00 0.21 0.00 0.00 66.02 65.20 1sef s SER 172 CO 0.06 -0.13 1.48 -0.07 0.41 0.00 0.00 173.24 175.00 1sef h LEU 173 N 8.07 0.00 -9.27 2.44 3.38 -1.31 -3.46 115.31 115.16 1sef h LEU 173 Ca -0.30 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.03 1sef h LEU 173 Cb 1.12 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.71 1sef h LEU 173 CO 0.46 0.71 -0.74 -0.76 0.09 0.00 0.00 178.44 178.20 1sef s LEU 174 N -7.03 2.92 0.47 1.67 1.02 -1.26 -4.96 118.68 111.50 1sef s LEU 174 Ca 0.00 -0.56 -0.25 0.00 0.02 0.00 0.00 54.13 53.35 1sef s LEU 174 Cb 0.11 -1.64 -0.08 0.00 0.02 0.00 0.00 46.19 44.60 1sef s LEU 174 CO 0.77 0.13 1.43 -2.84 0.02 0.00 0.00 176.35 175.86 1sef s PRO 175 N -2.63 3.59 -1.35 1.29 0.02 -1.26 -4.86 135.00 129.79 1sef s PRO 175 Ca 0.23 2.43 -0.10 0.00 0.02 0.00 0.00 61.00 63.58 1sef s PRO 175 Cb -0.09 -2.60 0.12 0.00 0.02 0.00 0.00 34.50 31.95 1sef s PRO 175 CO 0.14 -0.90 2.09 1.63 -0.33 0.00 0.00 177.00 179.63 1sef n LYS 176 N -0.33 3.56 -4.22 5.54 5.02 -1.26 -4.81 118.16 121.66 1sef n LYS 176 Ca 0.06 -3.22 -0.16 0.00 -2.02 0.00 0.00 58.31 52.97 1sef n LYS 176 Cb 0.42 -2.97 -0.11 0.00 -0.02 0.00 0.00 35.03 32.35 1sef n LYS 176 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1sef s GLU 177 N 0.98 0.96 0.00 1.97 2.56 -1.26 -5.02 118.70 118.88 1sef s GLU 177 Ca 0.45 -1.22 0.09 0.00 0.00 0.00 0.00 54.97 54.28 1sef s GLU 177 Cb 0.12 -0.75 0.39 0.00 2.00 0.00 0.00 34.13 35.89 1sef s GLU 177 CO -0.03 0.13 1.26 1.19 -0.56 0.00 0.00 175.26 177.25 1sef n PHE 178 N 0.49 0.00 0.29 5.30 3.01 -1.26 -1.79 117.46 123.50 1sef n PHE 178 Ca -0.15 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.48 1sef n PHE 178 Cb 0.57 -0.46 0.84 0.00 -0.01 0.00 0.00 39.48 40.42 1sef n PHE 178 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1sef h ASP 179 N 0.00 0.00 -3.55 4.37 3.32 -1.94 -3.43 116.42 115.20 1sef h ASP 179 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 1sef h ASP 179 Cb 0.14 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.53 1sef h ASP 179 CO 0.00 0.05 -0.71 -0.36 -1.72 0.00 0.00 179.24 176.50 1sef s PHE 180 N -3.98 2.86 -0.21 4.55 0.08 -0.74 -1.79 117.98 118.75 1sef s PHE 180 Ca -0.02 -0.07 0.15 0.00 0.12 0.00 0.00 56.93 57.11 1sef s PHE 180 Cb 0.12 -1.54 0.55 0.00 -0.57 0.00 0.00 43.02 41.58 1sef s PHE 180 CO 0.52 0.41 1.47 -0.40 -0.10 0.00 0.00 175.22 177.12 1sef n ASP 181 N 1.12 3.84 -3.09 1.36 5.75 -1.26 -4.65 116.55 119.62 1sef n ASP 181 Ca -0.14 -3.13 -0.03 0.00 -0.01 0.00 0.00 54.79 51.48 1sef n ASP 181 Cb 0.52 -0.58 0.02 0.00 -1.03 0.00 0.00 41.12 40.06 1sef n ASP 181 CO 0.00 0.00 0.00 1.15 -0.11 0.00 0.00 177.20 178.24 1sef n MET 182 N -0.53 0.64 -3.52 0.11 0.00 -1.25 -1.45 117.12 111.12 1sef n MET 182 Ca 0.24 -1.43 -0.09 0.00 0.00 0.00 0.00 57.70 56.43 1sef n MET 182 Cb 0.96 1.92 -0.02 0.00 0.00 0.00 0.00 33.22 36.08 1sef n MET 182 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 1sef s ASN 183 N -3.23 -0.39 -0.03 3.17 3.04 -0.78 -4.79 114.94 111.93 1sef s ASN 183 Ca 0.21 -0.06 0.03 0.00 0.04 0.00 0.00 52.86 53.08 1sef s ASN 183 Cb -0.03 0.46 -0.00 0.00 -1.54 0.00 0.00 41.25 40.14 1sef s ASN 183 CO 0.06 -0.76 -0.12 -0.04 -3.04 0.00 0.00 177.10 173.20 1sef s MET 184 N -3.32 1.22 0.26 0.43 -1.94 -1.26 -1.99 119.30 112.70 1sef s MET 184 Ca 0.05 -0.43 0.02 0.00 -1.71 0.00 0.00 55.69 53.62 1sef s MET 184 Cb -0.01 -1.11 -0.05 0.00 2.01 0.00 0.00 34.83 35.66 1sef s MET 184 CO -0.08 0.19 0.06 -1.01 -0.01 0.00 0.00 175.02 174.17 1sef s HIS 185 N 0.03 1.61 -0.04 -0.03 0.09 0.44 -0.72 115.29 116.67 1sef s HIS 185 Ca -0.01 -1.08 0.01 0.00 -0.00 0.00 0.00 55.06 53.98 1sef s HIS 185 Cb -0.09 -0.97 0.02 0.00 -0.00 0.00 0.00 32.58 31.55 1sef s HIS 185 CO 0.01 -0.20 -0.04 0.42 -0.00 0.00 0.00 174.74 174.92 1sef s ILE 186 N -3.59 0.52 0.02 0.60 1.09 -0.79 -0.75 121.20 118.30 1sef s ILE 186 Ca 0.35 -0.11 0.06 0.00 -1.10 0.00 0.00 60.65 59.85 1sef s ILE 186 Cb 0.08 -0.56 -0.03 0.00 -1.06 0.00 0.00 42.46 40.89 1sef s ILE 186 CO 0.13 0.22 -0.16 -0.76 -0.10 0.00 0.00 174.94 174.27 1sef s LEU 187 N 0.95 2.70 -0.06 2.97 1.43 -0.74 -0.78 118.68 125.15 1sef s LEU 187 Ca -0.11 -0.34 -0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1sef s LEU 187 Cb -0.14 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.54 1sef s LEU 187 CO -0.00 0.28 -0.02 -0.55 0.23 0.00 0.00 176.35 176.29 1sef s SER 188 N -1.27 1.25 -0.01 2.29 0.15 -0.53 -2.23 113.70 113.34 1sef s SER 188 Ca 0.14 -0.10 0.05 0.00 0.70 0.00 0.00 55.95 56.74 1sef s SER 188 Cb -0.11 -0.43 -0.03 0.00 -1.71 0.00 0.00 66.02 63.74 1sef s SER 188 CO 0.05 -0.13 -0.14 -0.36 1.20 0.00 0.00 173.24 173.85 1sef s PHE 189 N 1.47 2.69 0.52 3.44 0.40 0.26 -1.08 117.98 125.69 1sef s PHE 189 Ca -0.03 -0.17 -0.16 0.00 -0.60 0.00 0.00 56.93 55.97 1sef s PHE 189 Cb -0.13 -1.57 -0.08 0.00 0.51 0.00 0.00 43.02 41.75 1sef s PHE 189 CO -0.03 0.24 0.99 -1.21 0.70 0.00 0.00 175.22 175.91 1sef s GLU 190 N -1.10 3.92 0.10 0.44 0.41 -0.49 -2.36 118.70 119.61 1sef s GLU 190 Ca 0.14 0.95 -0.35 0.00 -0.41 0.00 0.00 54.97 55.29 1sef s GLU 190 Cb -0.11 -2.13 -0.14 0.00 -1.78 0.00 0.00 34.13 29.97 1sef s GLU 190 CO 0.03 -0.30 1.56 -2.30 -0.49 0.00 0.00 175.26 173.77 1sef n PRO 191 N -1.66 1.86 0.00 0.39 -0.02 -1.26 -1.03 135.00 133.28 1sef n PRO 191 Ca 0.07 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1sef n PRO 191 Cb 0.54 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1sef n PRO 191 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sef n GLY 192 N 3.34 2.54 3.71 -1.23 0.00 0.17 -4.98 105.19 108.74 1sef n GLY 192 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1sef n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sef s ALA 193 N -2.20 1.43 0.17 4.61 0.00 -0.20 -4.61 121.76 120.96 1sef s ALA 193 Ca 0.00 -0.16 -0.24 0.00 0.00 0.00 0.00 51.96 51.56 1sef s ALA 193 Cb 0.00 -3.16 0.06 0.00 0.00 0.00 0.00 23.12 20.02 1sef s ALA 193 CO 0.00 -2.45 0.96 -1.54 0.00 0.00 0.00 175.76 172.73 1sef s SER 194 N -3.47 -0.15 0.76 0.00 1.04 -1.26 -0.70 113.70 109.92 1sef s SER 194 Ca 0.64 -0.47 -0.14 0.00 0.48 0.00 0.00 55.95 56.46 1sef s SER 194 Cb -0.18 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.50 1sef s SER 194 CO 0.57 -0.95 1.17 -1.00 0.98 0.00 0.00 173.24 174.00 1sef s HIS 195 N -3.13 2.13 0.23 5.02 3.76 -1.18 -4.92 115.29 117.20 1sef s HIS 195 Ca 0.14 1.62 0.17 0.00 -0.15 0.00 0.00 55.06 56.84 1sef s HIS 195 Cb -0.02 -3.35 0.65 0.00 1.11 0.00 0.00 32.58 30.97 1sef s HIS 195 CO 0.03 -2.39 1.73 0.00 -0.85 0.00 0.00 174.74 173.26 1sef h ALA 196 N -0.62 1.04 -2.71 -1.40 0.00 -1.95 -3.47 119.26 110.16 1sef h ALA 196 Ca -0.46 -0.38 0.07 0.00 0.00 0.00 0.00 54.91 54.14 1sef h ALA 196 Cb 1.27 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 1sef h ALA 196 CO 0.49 0.52 0.33 1.52 0.00 0.00 0.00 179.25 182.12 1sef s TYR 197 N -3.70 -0.33 -0.09 0.00 1.13 -1.26 -5.13 117.35 107.96 1sef s TYR 197 Ca -0.01 0.06 -0.30 0.00 -1.41 0.00 0.00 57.07 55.42 1sef s TYR 197 Cb 0.12 0.61 -0.02 0.00 -1.10 0.00 0.00 41.96 41.56 1sef s TYR 197 CO 0.70 -0.87 1.15 0.42 -2.51 0.00 0.00 175.55 174.45 1sef s ILE 198 N -3.56 4.41 0.10 -3.49 1.01 -1.26 -4.81 121.20 113.61 1sef s ILE 198 Ca 0.06 1.72 -0.05 0.00 0.00 0.00 0.00 60.65 62.38 1sef s ILE 198 Cb -0.02 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.29 1sef s ILE 198 CO -0.04 -0.03 0.34 -1.61 0.00 0.00 0.00 174.94 173.60 1sef s GLU 199 N 2.40 3.61 -0.27 2.79 2.02 -0.30 -4.82 118.70 124.14 1sef s GLU 199 Ca 0.53 -0.09 -0.03 0.00 0.02 0.00 0.00 54.97 55.40 1sef s GLU 199 Cb -0.22 -2.93 0.10 0.00 0.10 0.00 0.00 34.13 31.19 1sef s GLU 199 CO 0.19 0.52 0.17 -0.08 0.02 0.00 0.00 175.26 176.09 1sef s THR 200 N -1.55 -0.18 0.05 3.63 -1.32 -1.26 -1.92 115.64 113.09 1sef s THR 200 Ca 0.37 -0.57 -0.03 0.00 -1.21 0.00 0.00 61.69 60.25 1sef s THR 200 Cb -0.13 -0.91 -0.02 0.00 -1.51 0.00 0.00 72.50 69.93 1sef s THR 200 CO 0.23 -0.57 0.03 -1.38 -2.21 0.00 0.00 174.62 170.72 1sef s HIS 201 N 2.19 0.35 0.46 9.09 -3.43 -1.26 -4.93 115.29 117.76 1sef s HIS 201 Ca 0.08 -0.78 0.13 0.00 -0.80 0.00 0.00 55.06 53.69 1sef s HIS 201 Cb -0.15 -0.25 1.04 0.00 -1.43 0.00 0.00 32.58 31.78 1sef s HIS 201 CO -0.31 -0.38 2.04 -0.24 -2.00 0.00 0.00 174.74 173.86 1sef h VAL 202 N 3.41 1.09 -4.02 -5.38 3.04 -1.95 0.61 116.25 113.05 1sef h VAL 202 Ca -0.33 -0.40 -0.53 0.00 -1.01 0.00 0.00 66.70 64.43 1sef h VAL 202 Cb 1.17 1.11 0.10 0.00 -2.01 0.00 0.00 31.29 31.66 1sef h VAL 202 CO 0.57 0.12 0.55 -1.10 -1.01 0.00 0.00 177.57 176.70 1sef s GLN 203 N -4.89 3.47 0.39 4.17 1.11 -1.26 -4.30 119.66 118.35 1sef s GLN 203 Ca -0.05 2.01 0.06 0.00 0.01 0.00 0.00 55.36 57.38 1sef s GLN 203 Cb 0.16 -2.35 -0.00 0.00 -1.01 0.00 0.00 33.01 29.82 1sef s GLN 203 CO 0.70 -0.86 0.55 -1.21 0.01 0.00 0.00 175.29 174.48 1sef s GLU 204 N -2.78 2.99 -0.02 2.91 2.02 -1.26 -4.39 118.70 118.17 1sef s GLU 204 Ca 0.67 -0.98 -0.01 0.00 0.02 0.00 0.00 54.97 54.67 1sef s GLU 204 Cb -0.34 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.14 1sef s GLU 204 CO 0.41 -0.13 0.04 -1.01 0.02 0.00 0.00 175.26 174.60 1sef s HIS 205 N -2.32 -0.04 -0.27 1.61 3.76 -0.54 -3.99 115.29 113.50 1sef s HIS 205 Ca 0.49 0.11 0.03 0.00 -0.15 0.00 0.00 55.06 55.53 1sef s HIS 205 Cb -0.10 0.02 0.07 0.00 1.11 0.00 0.00 32.58 33.68 1sef s HIS 205 CO 0.33 -0.02 -0.06 0.20 -0.85 0.00 0.00 174.74 174.34 1sef s GLY 206 N 0.02 1.62 -0.05 -2.22 0.00 -1.23 -1.08 107.32 104.38 1sef s GLY 206 Ca -0.00 -1.84 0.05 0.00 0.00 0.00 0.00 44.72 42.92 1sef s GLY 206 CO 0.00 0.78 -0.18 0.00 0.00 0.00 0.00 173.10 173.69 1sef s ALA 207 N 1.13 2.48 -0.15 3.20 0.00 0.76 -1.93 121.76 127.25 1sef s ALA 207 Ca -0.04 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1sef s ALA 207 Cb -0.19 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 22.11 1sef s ALA 207 CO -0.07 0.51 -0.11 -0.47 0.00 0.00 0.00 175.76 175.63 1sef s TYR 208 N -0.56 2.03 -0.08 0.00 5.04 -0.24 0.83 117.35 124.37 1sef s TYR 208 Ca 0.08 -1.18 -0.30 0.00 -2.44 0.00 0.00 57.07 53.23 1sef s TYR 208 Cb -0.11 -1.50 -0.02 0.00 0.35 0.00 0.00 41.96 40.67 1sef s TYR 208 CO 0.01 -0.65 1.14 -0.51 -1.34 0.00 0.00 175.55 174.20 1sef s LEU 209 N 1.53 4.26 0.00 6.97 1.43 -0.59 -1.91 118.68 130.36 1sef s LEU 209 Ca 0.03 1.71 0.10 0.00 -1.03 0.00 0.00 54.13 54.95 1sef s LEU 209 Cb -0.14 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 1sef s LEU 209 CO -0.09 -0.56 0.59 2.30 0.23 0.00 0.00 176.35 178.82 1sef n ILE 210 N 4.66 0.00 -3.57 -0.59 -5.35 0.42 -0.68 119.36 114.24 1sef n ILE 210 Ca 0.10 -0.36 -0.17 0.00 -0.27 0.00 0.00 62.75 62.06 1sef n ILE 210 Cb 0.47 1.09 -0.07 0.00 -1.74 0.00 0.00 39.64 39.39 1sef n ILE 210 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1sef s SER 211 N -1.54 -0.63 0.72 7.28 0.15 -0.97 -4.91 113.70 113.81 1sef s SER 211 Ca 0.07 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.56 1sef s SER 211 Cb 0.08 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 1sef s SER 211 CO 0.30 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1sef n GLY 212 N 1.39 0.32 3.21 9.45 0.00 -1.04 -1.14 105.19 117.38 1sef n GLY 212 Ca -0.18 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 1sef n GLY 212 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sef s GLN 213 N 0.00 0.99 0.20 1.61 -0.21 -1.24 -1.45 119.66 119.56 1sef s GLN 213 Ca 0.00 -1.35 -0.23 0.00 0.02 0.00 0.00 55.36 53.80 1sef s GLN 213 Cb 0.00 0.28 0.06 0.00 1.00 0.00 0.00 33.01 34.35 1sef s GLN 213 CO 0.00 -0.31 0.92 0.20 -2.12 0.00 0.00 175.29 173.98 1sef s GLY 214 N -3.02 -0.11 -0.29 3.09 0.00 -0.26 -1.17 107.32 105.56 1sef s GLY 214 Ca 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 44.72 44.83 1sef s GLY 214 CO 0.01 0.31 -0.00 1.06 0.00 0.00 0.00 173.10 174.48 1sef s MET 215 N -3.14 2.58 -0.20 2.90 -1.94 0.14 -0.32 119.30 119.32 1sef s MET 215 Ca 0.14 -1.17 -0.08 0.00 -1.71 0.00 0.00 55.69 52.88 1sef s MET 215 Cb -0.03 -3.17 -0.04 0.00 2.01 0.00 0.00 34.83 33.61 1sef s MET 215 CO 0.04 -0.56 0.07 -0.47 -0.01 0.00 0.00 175.02 174.09 1sef s TYR 216 N 1.30 3.22 -0.29 -0.03 5.04 0.55 -1.22 117.35 125.92 1sef s TYR 216 Ca -0.03 0.00 -0.24 0.00 -2.44 0.00 0.00 57.07 54.37 1sef s TYR 216 Cb -0.19 -2.12 -0.00 0.00 0.35 0.00 0.00 41.96 40.00 1sef s TYR 216 CO -0.01 0.06 0.79 1.21 -1.34 0.00 0.00 175.55 176.26 1sef s ASN 217 N 0.62 6.70 -0.20 4.32 3.84 0.16 -0.71 114.94 129.67 1sef s ASN 217 Ca 0.04 0.75 -0.00 0.00 0.21 0.00 0.00 52.86 53.85 1sef s ASN 217 Cb -0.13 -2.41 0.05 0.00 -0.55 0.00 0.00 41.25 38.21 1sef s ASN 217 CO 0.01 -0.58 -0.04 -0.76 -2.79 0.00 0.00 177.10 172.94 1sef s LEU 218 N 2.91 1.91 -1.56 3.21 2.01 0.06 -2.76 118.68 124.46 1sef s LEU 218 Ca 0.33 -0.87 -0.05 0.00 0.01 0.00 0.00 54.13 53.55 1sef s LEU 218 Cb -0.14 -0.97 0.01 0.00 0.01 0.00 0.00 46.19 45.09 1sef s LEU 218 CO 0.11 -0.22 0.62 -0.67 1.01 0.00 0.00 176.35 177.20 1sef n ASP 219 N 4.82 -6.16 -1.93 2.29 4.64 -0.10 -1.99 116.55 118.12 1sef n ASP 219 Ca -0.12 -0.29 -0.16 0.00 -1.38 0.00 0.00 54.79 52.84 1sef n ASP 219 Cb 0.46 -4.97 -0.00 0.00 -1.04 0.00 0.00 41.12 35.57 1sef n ASP 219 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 1sef n ASN 220 N -2.51 -4.89 -4.01 1.67 5.03 -1.26 -4.94 115.26 104.35 1sef n ASN 220 Ca -0.11 -0.04 -0.27 0.00 0.87 0.00 0.00 54.58 55.02 1sef n ASN 220 Cb 0.62 -3.97 -0.17 0.00 -1.02 0.00 0.00 39.78 35.24 1sef n ASN 220 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1sef s GLU 221 N -4.89 1.95 -0.14 3.52 2.56 -0.84 -5.11 118.70 115.74 1sef s GLU 221 Ca 0.03 -0.46 -0.17 0.00 0.00 0.00 0.00 54.97 54.38 1sef s GLU 221 Cb -0.01 -1.73 -0.04 0.00 2.00 0.00 0.00 34.13 34.35 1sef s GLU 221 CO 0.04 -0.10 0.41 -1.58 -0.56 0.00 0.00 175.26 173.46 1sef s TRP 222 N 1.12 3.49 -0.02 5.30 0.52 -1.26 -0.76 118.94 127.32 1sef s TRP 222 Ca -0.05 0.77 0.04 0.00 0.02 0.00 0.00 56.10 56.88 1sef s TRP 222 Cb -0.14 -2.48 -0.01 0.00 -1.15 0.00 0.00 33.47 29.69 1sef s TRP 222 CO -0.03 0.18 -0.14 0.71 0.02 0.00 0.00 176.95 177.69 1sef s TYR 223 N 0.61 1.35 0.13 -1.98 1.51 0.11 -4.91 117.35 114.18 1sef s TYR 223 Ca 0.22 -0.30 -0.30 0.00 -1.01 0.00 0.00 57.07 55.68 1sef s TYR 223 Cb -0.14 -0.89 -0.07 0.00 -0.11 0.00 0.00 41.96 40.75 1sef s TYR 223 CO 0.08 -0.06 1.17 -2.14 -1.11 0.00 0.00 175.55 173.49 1sef s PRO 224 N -0.19 4.49 0.14 -1.71 0.02 -1.26 -0.33 135.00 136.16 1sef s PRO 224 Ca 0.02 1.79 0.04 0.00 0.02 0.00 0.00 61.00 62.87 1sef s PRO 224 Cb -0.07 -3.30 -0.04 0.00 0.02 0.00 0.00 34.50 31.11 1sef s PRO 224 CO 0.00 -0.12 -0.09 0.14 -0.33 0.00 0.00 177.00 176.60 1sef s VAL 225 N 0.39 1.02 0.21 3.83 -7.23 0.56 -4.92 120.40 114.26 1sef s VAL 225 Ca 0.54 -2.02 -0.12 0.00 -1.81 0.00 0.00 61.98 58.57 1sef s VAL 225 Cb -0.30 -1.82 -0.00 0.00 0.56 0.00 0.00 36.38 34.81 1sef s VAL 225 CO 0.33 -0.76 0.41 -1.83 -0.31 0.00 0.00 175.10 172.94 1sef s GLU 226 N -3.78 1.39 0.18 4.82 -1.05 -1.26 -1.10 118.70 117.90 1sef s GLU 226 Ca 0.16 -1.18 -0.33 0.00 -0.15 0.00 0.00 54.97 53.46 1sef s GLU 226 Cb 0.03 0.44 -0.15 0.00 -0.44 0.00 0.00 34.13 34.02 1sef s GLU 226 CO -0.01 -0.56 1.29 1.17 0.95 0.00 0.00 175.26 178.11 1sef n LYS 227 N -0.32 1.50 0.00 -4.83 4.81 -0.53 -1.21 118.16 117.58 1sef n LYS 227 Ca -0.04 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 1sef n LYS 227 Cb 0.62 -2.12 0.00 0.00 0.02 0.00 0.00 35.03 33.55 1sef n LYS 227 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sef n GLY 228 N 2.23 2.26 3.78 3.14 0.00 0.14 -4.97 105.19 111.77 1sef n GLY 228 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1sef n GLY 228 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sef s ASP 229 N -1.48 7.33 -0.11 1.61 -0.00 -0.35 -2.75 116.67 120.92 1sef s ASP 229 Ca 0.00 1.57 -0.03 0.00 -0.00 0.00 0.00 52.55 54.09 1sef s ASP 229 Cb 0.00 -2.48 -0.03 0.00 -0.00 0.00 0.00 42.92 40.41 1sef s ASP 229 CO 0.00 0.20 0.02 -0.47 -0.00 0.00 0.00 175.17 174.92 1sef s TYR 230 N -1.05 3.19 -0.11 4.23 5.04 -0.48 -1.54 117.35 126.64 1sef s TYR 230 Ca 0.35 0.14 0.01 0.00 -2.44 0.00 0.00 57.07 55.13 1sef s TYR 230 Cb -0.22 -1.87 0.02 0.00 0.35 0.00 0.00 41.96 40.24 1sef s TYR 230 CO 0.25 0.38 -0.12 0.42 -1.34 0.00 0.00 175.55 175.14 1sef s ILE 231 N -0.54 1.27 -0.18 3.14 1.01 0.24 -0.05 121.20 126.10 1sef s ILE 231 Ca 0.09 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.19 1sef s ILE 231 Cb -0.12 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 1sef s ILE 231 CO 0.02 0.40 0.05 0.12 0.00 0.00 0.00 174.94 175.53 1sef s PHE 232 N 1.21 3.22 -0.27 3.97 2.19 0.20 -0.17 117.98 128.32 1sef s PHE 232 Ca -0.03 0.01 0.03 0.00 0.33 0.00 0.00 56.93 57.27 1sef s PHE 232 Cb -0.14 -2.06 0.07 0.00 -1.31 0.00 0.00 43.02 39.58 1sef s PHE 232 CO -0.04 0.12 -0.07 -1.64 1.83 0.00 0.00 175.22 175.43 1sef s MET 233 N 0.37 2.01 0.95 10.12 -1.94 -0.24 -1.57 119.30 129.00 1sef s MET 233 Ca 0.02 -1.42 -0.12 0.00 -1.71 0.00 0.00 55.69 52.46 1sef s MET 233 Cb -0.13 -2.91 0.16 0.00 2.01 0.00 0.00 34.83 33.96 1sef s MET 233 CO 0.01 -0.65 1.10 -1.54 -0.01 0.00 0.00 175.02 173.92 1sef s SER 234 N 1.10 3.03 0.24 3.03 1.04 -0.67 -1.46 113.70 120.01 1sef s SER 234 Ca -0.04 1.22 -0.31 0.00 0.48 0.00 0.00 55.95 57.30 1sef s SER 234 Cb -0.20 -1.88 -0.14 0.00 0.10 0.00 0.00 66.02 63.90 1sef s SER 234 CO -0.06 -2.88 1.32 0.00 0.98 0.00 0.00 173.24 172.61 1sef n ALA 235 N -4.01 0.68 0.00 5.32 0.00 -1.26 -2.57 120.51 118.66 1sef n ALA 235 Ca 0.06 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1sef n ALA 235 Cb 0.57 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1sef n ALA 235 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1sef n TYR 236 N 1.58 0.00 -1.77 0.00 4.01 0.21 -4.96 117.16 116.24 1sef n TYR 236 Ca 0.12 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.43 1sef n TYR 236 Cb 0.31 -0.42 -0.03 0.00 -0.31 0.00 0.00 39.34 38.89 1sef n TYR 236 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1sef s VAL 237 N -2.05 2.26 0.26 -0.72 -7.23 -1.06 -4.43 120.40 107.43 1sef s VAL 237 Ca 0.00 0.12 -0.30 0.00 -1.81 0.00 0.00 61.98 59.98 1sef s VAL 237 Cb 0.00 -3.08 -0.13 0.00 0.56 0.00 0.00 36.38 33.73 1sef s VAL 237 CO 0.00 0.01 1.39 -2.65 -0.31 0.00 0.00 175.10 173.54 1sef n PRO 238 N 4.34 2.09 -3.65 4.82 -0.02 -1.25 -4.64 135.00 136.68 1sef n PRO 238 Ca 0.16 0.74 -0.15 0.00 -2.02 0.00 0.00 63.50 62.23 1sef n PRO 238 Cb 0.36 -2.39 -0.08 0.00 -0.02 0.00 0.00 33.50 31.38 1sef n PRO 238 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1sef s GLN 239 N -0.73 0.78 0.00 -0.52 -2.07 -0.81 -0.92 119.66 115.39 1sef s GLN 239 Ca 0.65 0.41 0.00 0.00 -1.82 0.00 0.00 55.36 54.60 1sef s GLN 239 Cb -0.62 0.37 0.00 0.00 -1.09 0.00 0.00 33.01 31.66 1sef s GLN 239 CO 0.52 -0.18 0.00 0.00 -1.32 0.00 0.00 175.29 174.32 1sef n ALA 240 N 1.90 0.00 -2.95 2.60 0.00 -1.11 -1.15 120.51 119.79 1sef n ALA 240 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.16 1sef n ALA 240 Cb 0.56 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.95 1sef n ALA 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sef s ALA 241 N -2.00 -0.73 -0.13 0.00 0.00 -1.26 0.36 121.76 118.00 1sef s ALA 241 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.89 1sef s ALA 241 Cb 0.00 0.47 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 1sef s ALA 241 CO 0.00 -0.51 -0.14 0.71 0.00 0.00 0.00 175.76 175.83 1sef s TYR 242 N -3.16 2.80 0.27 0.00 2.02 -0.36 -3.13 117.35 115.80 1sef s TYR 242 Ca -0.01 -0.69 -0.30 0.00 -0.37 0.00 0.00 57.07 55.71 1sef s TYR 242 Cb 0.01 -1.84 -0.09 0.00 -0.40 0.00 0.00 41.96 39.63 1sef s TYR 242 CO -0.07 -0.24 1.07 0.00 -1.57 0.00 0.00 175.55 174.74 1sef s ALA 243 N 0.39 3.39 0.11 3.71 0.00 0.13 -0.68 121.76 128.81 1sef s ALA 243 Ca -0.11 0.84 0.03 0.00 0.00 0.00 0.00 51.96 52.72 1sef s ALA 243 Cb -0.16 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1sef s ALA 243 CO 0.05 -0.09 -0.08 0.08 0.00 0.00 0.00 175.76 175.72 1sef s VAL 244 N -1.12 0.86 0.00 0.00 1.01 -0.32 -0.66 120.40 120.17 1sef s VAL 244 Ca 0.44 -1.88 0.00 0.00 0.00 0.00 0.00 61.98 60.54 1sef s VAL 244 Cb -0.31 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1sef s VAL 244 CO 0.39 -0.77 0.00 0.61 0.00 0.00 0.00 175.10 175.33 1sef n GLY 245 N 0.08 0.15 0.11 4.51 0.00 -1.26 -3.61 105.19 105.17 1sef n GLY 245 Ca -0.13 -1.73 0.01 0.00 0.00 0.00 0.00 46.02 44.17 1sef n GLY 245 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sef n ARG 246 N 0.28 0.74 0.01 1.61 1.74 -1.26 -4.63 116.66 115.15 1sef n ARG 246 Ca 0.00 -1.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.00 1sef n ARG 246 Cb 0.00 -0.69 -0.13 0.00 -1.02 0.00 0.00 32.46 30.62 1sef n ARG 246 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1sef h GLU 247 N 0.00 0.00 -3.08 5.56 4.39 -2.03 -3.48 114.58 115.93 1sef h GLU 247 Ca 0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1sef h GLU 247 Cb 0.98 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.54 1sef h GLU 247 CO 0.00 0.63 0.17 -1.83 -1.16 0.00 0.00 179.01 176.81 1sef s GLU 248 N -2.66 1.48 0.61 2.33 -1.05 -1.26 -5.10 118.70 113.05 1sef s GLU 248 Ca -0.03 -0.75 -0.13 0.00 -0.15 0.00 0.00 54.97 53.91 1sef s GLU 248 Cb 0.09 0.58 -0.04 0.00 -0.44 0.00 0.00 34.13 34.31 1sef s GLU 248 CO 0.82 -0.65 1.03 -1.25 0.95 0.00 0.00 175.26 176.16 1sef s PRO 249 N -3.84 3.50 -0.16 -4.83 0.04 -1.26 -4.61 135.00 123.84 1sef s PRO 249 Ca 0.07 0.91 -0.28 0.00 0.04 0.00 0.00 61.00 61.74 1sef s PRO 249 Cb -0.03 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 1sef s PRO 249 CO -0.04 -0.64 0.96 -1.17 0.04 0.00 0.00 177.00 176.15 1sef s LEU 250 N -4.88 4.18 -0.01 -3.56 0.20 -0.99 -2.50 118.68 111.12 1sef s LEU 250 Ca 0.58 1.37 0.00 0.00 0.69 0.00 0.00 54.13 56.77 1sef s LEU 250 Cb -0.12 -3.44 0.01 0.00 -0.43 0.00 0.00 46.19 42.21 1sef s LEU 250 CO 0.46 -0.49 -0.00 -0.04 -0.29 0.00 0.00 176.35 175.99 1sef s MET 251 N 2.36 0.09 -0.05 1.98 -1.94 -0.29 -0.57 119.30 120.88 1sef s MET 251 Ca 0.44 0.02 -0.13 0.00 -1.71 0.00 0.00 55.69 54.31 1sef s MET 251 Cb -0.17 -0.16 0.02 0.00 2.01 0.00 0.00 34.83 36.53 1sef s MET 251 CO 0.13 -0.03 0.30 1.52 -0.01 0.00 0.00 175.02 176.92 1sef s TYR 252 N 0.31 -0.21 -0.11 -0.03 1.13 -0.95 -0.44 117.35 117.06 1sef s TYR 252 Ca -0.03 0.42 -0.10 0.00 -1.41 0.00 0.00 57.07 55.95 1sef s TYR 252 Cb -0.04 0.09 -0.05 0.00 -1.10 0.00 0.00 41.96 40.86 1sef s TYR 252 CO -0.01 -0.31 0.21 0.08 -2.51 0.00 0.00 175.55 173.01 1sef s VAL 253 N -0.86 5.37 -0.01 -3.49 1.01 -0.80 -1.79 120.40 119.83 1sef s VAL 253 Ca -0.09 0.38 -0.14 0.00 0.00 0.00 0.00 61.98 62.12 1sef s VAL 253 Cb -0.04 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.86 1sef s VAL 253 CO 0.03 0.57 0.29 -0.72 0.00 0.00 0.00 175.10 175.27 1sef s TYR 254 N -0.76 -0.15 0.47 5.22 1.13 0.07 -1.08 117.35 122.26 1sef s TYR 254 Ca 0.16 0.20 0.08 0.00 -1.41 0.00 0.00 57.07 56.10 1sef s TYR 254 Cb -0.13 0.08 0.03 0.00 -1.10 0.00 0.00 41.96 40.84 1sef s TYR 254 CO 0.05 -0.39 0.57 -1.54 -2.51 0.00 0.00 175.55 171.73 1sef s SER 255 N -1.41 5.29 -0.26 -0.18 1.04 -0.81 -0.42 113.70 116.94 1sef s SER 255 Ca -0.13 -0.68 -0.26 0.00 0.48 0.00 0.00 55.95 55.36 1sef s SER 255 Cb -0.05 -0.29 0.13 0.00 0.10 0.00 0.00 66.02 65.91 1sef s SER 255 CO 0.03 -0.92 1.09 -1.59 0.98 0.00 0.00 173.24 172.83 1sef s LYS 256 N -4.38 0.45 0.44 4.02 -2.85 -0.84 -3.58 119.74 113.01 1sef s LYS 256 Ca 0.54 0.45 -0.17 0.00 -1.00 0.00 0.00 55.97 55.78 1sef s LYS 256 Cb -0.07 0.22 -0.09 0.00 -2.06 0.00 0.00 37.83 35.83 1sef s LYS 256 CO 0.32 -0.07 0.91 0.16 0.10 0.00 0.00 175.35 176.77 1sef s ASP 257 N -0.04 6.76 0.14 0.03 -4.77 -1.26 -1.86 116.67 115.68 1sef s ASP 257 Ca 0.03 1.52 -0.25 0.00 -3.30 0.00 0.00 52.55 50.55 1sef s ASP 257 Cb -0.04 -2.48 0.07 0.00 -1.09 0.00 0.00 42.92 39.38 1sef s ASP 257 CO -0.06 -0.42 0.95 0.00 0.70 0.00 0.00 175.17 176.34 1sef s ALA 258 N -2.33 -1.66 -1.97 2.11 0.00 -0.53 -4.73 121.76 112.65 1sef s ALA 258 Ca 0.58 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.72 1sef s ALA 258 Cb -0.10 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.65 1sef s ALA 258 CO 0.22 -1.02 0.00 0.09 0.00 0.00 0.00 175.76 175.05 1sef n ASN 259 N -0.46 -5.44 -3.95 0.00 3.02 -1.26 -3.77 115.26 103.40 1sef n ASN 259 Ca -0.06 0.31 -0.15 0.00 -0.03 0.00 0.00 54.58 54.65 1sef n ASN 259 Cb 0.61 -4.71 -0.09 0.00 -0.61 0.00 0.00 39.78 34.97 1sef n ASN 259 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1sef s ARG 260 N -4.20 1.40 0.12 3.52 1.81 -1.26 -4.93 118.95 115.42 1sef s ARG 260 Ca 0.00 -1.77 0.07 0.00 -1.72 0.00 0.00 55.73 52.30 1sef s ARG 260 Cb 0.00 0.22 -0.04 0.00 -0.45 0.00 0.00 34.95 34.68 1sef s ARG 260 CO 0.00 -0.46 -0.05 -1.21 -0.68 0.00 0.00 175.30 172.90 1sef s GLU 261 N -3.92 2.29 0.37 3.54 2.02 -1.26 -5.08 118.70 116.66 1sef s GLU 261 Ca 0.39 -1.01 -0.28 0.00 0.02 0.00 0.00 54.97 54.09 1sef s GLU 261 Cb 0.06 -2.37 -0.10 0.00 0.10 0.00 0.00 34.13 31.81 1sef s GLU 261 CO 0.17 0.50 1.42 -2.14 0.02 0.00 0.00 175.26 175.23 1sef s PRO 262 N -2.45 4.13 0.07 0.39 0.02 -1.26 -4.99 135.00 130.91 1sef s PRO 262 Ca 0.24 2.43 -0.07 0.00 0.02 0.00 0.00 61.00 63.62 1sef s PRO 262 Cb -0.11 -2.95 -0.05 0.00 0.02 0.00 0.00 34.50 31.41 1sef s PRO 262 CO 0.16 -0.46 0.34 -2.00 -0.33 0.00 0.00 177.00 174.71 1sef s GLU 263 N -2.05 3.65 0.00 5.54 2.56 -1.26 -5.33 118.70 121.81 1sef s GLU 263 Ca 0.53 0.00 0.16 0.00 0.00 0.00 0.00 54.97 55.66 1sef s GLU 263 Cb -0.44 -2.99 0.13 0.00 2.00 0.00 0.00 34.13 32.83 1sef s GLU 263 CO 0.59 0.57 1.02 1.28 -0.56 0.00 0.00 175.26 178.16