#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q8p s SER 3 N 0.00 1.65 -0.15 -2.24 1.04 -1.26 -1.45 113.70 111.29 1q8p s SER 3 Ca 0.00 -0.39 -0.13 0.00 0.48 0.00 0.00 55.95 55.92 1q8p s SER 3 Cb 0.00 -0.13 0.04 0.00 0.10 0.00 0.00 66.02 66.03 1q8p s SER 3 CO 0.00 0.08 0.40 -0.22 0.98 0.00 0.00 173.24 174.48 1q8p s LEU 4 N -0.86 0.39 0.01 2.42 2.96 -0.45 -5.01 118.68 118.14 1q8p s LEU 4 Ca 0.03 0.81 -0.17 0.00 -0.22 0.00 0.00 54.13 54.58 1q8p s LEU 4 Cb -0.07 1.35 0.03 0.00 0.50 0.00 0.00 46.19 48.00 1q8p s LEU 4 CO 0.01 -0.15 0.36 -0.94 -1.32 0.00 0.00 176.35 174.31 1q8p s SER 5 N 0.42 -0.24 0.04 3.68 1.04 -1.26 -0.94 113.70 116.44 1q8p s SER 5 Ca -0.02 0.06 -0.25 0.00 0.48 0.00 0.00 55.95 56.22 1q8p s SER 5 Cb -0.04 0.37 0.06 0.00 0.10 0.00 0.00 66.02 66.51 1q8p s SER 5 CO -0.02 -0.55 0.59 0.72 0.98 0.00 0.00 173.24 174.96 1q8p s PHE 6 N -1.85 -0.52 -0.02 5.02 -0.12 -0.26 -5.00 117.98 115.23 1q8p s PHE 6 Ca -0.10 0.65 -0.01 0.00 -0.05 0.00 0.00 56.93 57.43 1q8p s PHE 6 Cb -0.03 0.41 0.02 0.00 -0.63 0.00 0.00 43.02 42.79 1q8p s PHE 6 CO 0.02 -0.67 0.05 0.20 -0.05 0.00 0.00 175.22 174.76 1q8p s GLY 7 N -1.87 0.04 -0.54 1.99 0.00 -1.26 -0.94 107.32 104.74 1q8p s GLY 7 Ca -0.06 0.30 0.03 0.00 0.00 0.00 0.00 44.72 44.98 1q8p s GLY 7 CO -0.00 0.55 0.30 -1.36 0.00 0.00 0.00 173.10 172.58 1q8p s PHE 8 N 0.76 3.23 0.46 1.90 0.40 0.20 -4.93 117.98 119.99 1q8p s PHE 8 Ca -0.06 -3.09 0.13 0.00 -0.60 0.00 0.00 56.93 53.31 1q8p s PHE 8 Cb -0.09 -2.90 1.03 0.00 0.51 0.00 0.00 43.02 41.58 1q8p s PHE 8 CO -0.03 -0.76 2.05 -1.35 0.70 0.00 0.00 175.22 175.83 1q8p h PRO 9 N 6.61 0.15 -4.02 0.24 0.11 -1.91 -1.06 132.00 132.12 1q8p h PRO 9 Ca -0.07 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.80 1q8p h PRO 9 Cb 0.90 -0.03 -0.08 0.00 0.11 0.00 0.00 31.00 31.90 1q8p h PRO 9 CO 0.69 0.19 -0.19 0.95 -0.21 0.00 0.00 178.00 179.43 1q8p s THR 10 N -4.97 0.00 -0.52 -1.15 -4.23 -1.26 -4.53 115.64 98.98 1q8p s THR 10 Ca -0.05 -1.56 0.03 0.00 -1.18 0.00 0.00 61.69 58.93 1q8p s THR 10 Cb 0.16 -2.56 0.14 0.00 1.34 0.00 0.00 72.50 71.59 1q8p s THR 10 CO 0.70 0.00 0.31 -0.36 -0.54 0.00 0.00 174.62 174.73 1q8p s PHE 11 N -3.27 2.67 0.68 3.99 0.08 -0.51 -4.96 117.98 116.66 1q8p s PHE 11 Ca 0.29 -2.87 -0.16 0.00 0.12 0.00 0.00 56.93 54.31 1q8p s PHE 11 Cb -0.00 -2.31 0.01 0.00 -0.57 0.00 0.00 43.02 40.15 1q8p s PHE 11 CO 0.17 -0.72 1.18 -2.14 -0.10 0.00 0.00 175.22 173.61 1q8p s PRO 12 N -0.28 2.52 0.60 0.24 0.02 -1.26 -3.47 135.00 133.36 1q8p s PRO 12 Ca 0.20 1.67 0.30 0.00 0.02 0.00 0.00 61.00 63.19 1q8p s PRO 12 Cb -0.18 -1.89 1.83 0.00 0.02 0.00 0.00 34.50 34.28 1q8p s PRO 12 CO -0.05 -1.52 2.23 0.66 -0.33 0.00 0.00 177.00 177.99 1q8p h SER 13 N 0.08 0.00 -1.95 2.53 4.64 -1.96 -3.36 113.55 113.52 1q8p h SER 13 Ca -0.48 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.17 1q8p h SER 13 Cb 1.28 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.22 1q8p h SER 13 CO 0.52 0.00 1.12 -0.62 -0.87 0.00 0.00 176.83 176.99 1q8p s ASP 14 N -6.02 6.64 0.01 4.97 2.15 -1.26 -4.99 116.67 118.17 1q8p s ASP 14 Ca -0.05 -1.97 0.04 0.00 0.43 0.00 0.00 52.55 51.00 1q8p s ASP 14 Cb 0.15 -2.45 -0.03 0.00 -0.30 0.00 0.00 42.92 40.28 1q8p s ASP 14 CO 0.54 -1.17 -0.10 -1.10 -0.17 0.00 0.00 175.17 173.17 1q8p s GLN 15 N 3.30 2.42 0.00 4.34 -1.52 -1.26 -5.02 119.66 121.93 1q8p s GLN 15 Ca 0.38 -0.79 0.00 0.00 -1.95 0.00 0.00 55.36 53.00 1q8p s GLN 15 Cb -0.03 -2.41 0.00 0.00 -0.22 0.00 0.00 33.01 30.35 1q8p s GLN 15 CO -0.08 0.59 0.00 1.63 -0.25 0.00 0.00 175.29 177.18 1q8p n LYS 16 N 1.61 2.72 -0.76 2.91 4.76 -1.26 -4.83 118.16 123.31 1q8p n LYS 16 Ca -0.16 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.33 1q8p n LYS 16 Cb 0.52 -0.86 0.33 0.00 -1.84 0.00 0.00 35.03 33.18 1q8p n LYS 16 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1q8p n ASN 17 N -1.52 4.79 -4.40 4.39 3.02 -1.26 -4.95 115.26 115.33 1q8p n ASN 17 Ca 0.00 -3.06 -0.32 0.00 -0.03 0.00 0.00 54.58 51.17 1q8p n ASN 17 Cb 0.31 -0.65 -0.14 0.00 -0.61 0.00 0.00 39.78 38.69 1q8p n ASN 17 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1q8p s LEU 18 N -2.86 2.51 -0.32 3.41 1.43 -1.26 -0.70 118.68 120.88 1q8p s LEU 18 Ca 0.50 -0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 53.16 1q8p s LEU 18 Cb 0.40 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 45.10 1q8p s LEU 18 CO 0.12 0.31 0.25 -0.63 0.23 0.00 0.00 176.35 176.62 1q8p s ILE 19 N -0.50 5.28 -0.19 -0.59 1.01 0.60 -4.89 121.20 121.91 1q8p s ILE 19 Ca 0.06 -0.07 -0.14 0.00 0.00 0.00 0.00 60.65 60.50 1q8p s ILE 19 Cb -0.12 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 1q8p s ILE 19 CO 0.01 0.05 0.31 -0.36 0.00 0.00 0.00 174.94 174.95 1q8p s PHE 20 N 1.78 3.39 0.07 3.97 0.08 -1.26 -1.48 117.98 124.53 1q8p s PHE 20 Ca 0.07 0.52 0.08 0.00 0.12 0.00 0.00 56.93 57.73 1q8p s PHE 20 Cb -0.17 -2.40 -0.03 0.00 -0.57 0.00 0.00 43.02 39.85 1q8p s PHE 20 CO 0.11 0.10 -0.22 -0.65 -0.10 0.00 0.00 175.22 174.46 1q8p s GLN 21 N 0.93 1.36 6.38 0.44 -0.21 -0.11 -5.00 119.66 123.44 1q8p s GLN 21 Ca 0.16 -1.06 0.00 0.00 0.02 0.00 0.00 55.36 54.47 1q8p s GLN 21 Cb -0.14 -1.56 0.00 0.00 1.00 0.00 0.00 33.01 32.31 1q8p s GLN 21 CO 0.05 0.39 0.00 0.41 -2.12 0.00 0.00 175.29 174.02 1q8p n GLY 22 N 1.53 2.11 0.60 3.09 0.00 -1.26 -1.66 105.19 109.60 1q8p n GLY 22 Ca -0.18 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.53 1q8p n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q8p n ASP 23 N 4.39 1.89 -4.74 1.61 8.00 0.03 -4.95 116.55 122.79 1q8p n ASP 23 Ca 0.00 -1.63 -0.42 0.00 0.71 0.00 0.00 54.79 53.45 1q8p n ASP 23 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 1q8p n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q8p n ALA 24 N 0.48 2.24 -3.52 2.24 0.00 -1.13 -4.49 120.51 116.32 1q8p n ALA 24 Ca 0.18 0.37 -0.10 0.00 0.00 0.00 0.00 53.44 53.89 1q8p n ALA 24 Cb 0.42 -2.42 -0.02 0.00 0.00 0.00 0.00 19.45 17.43 1q8p n ALA 24 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1q8p s GLN 25 N -0.87 1.18 -0.01 0.00 -2.07 -0.81 -4.73 119.66 112.33 1q8p s GLN 25 Ca 0.62 -0.48 -0.22 0.00 -1.82 0.00 0.00 55.36 53.46 1q8p s GLN 25 Cb -0.52 0.51 -0.05 0.00 -1.09 0.00 0.00 33.01 31.86 1q8p s GLN 25 CO 0.52 -0.52 0.64 0.42 -1.32 0.00 0.00 175.29 175.03 1q8p s ILE 26 N -3.52 4.92 -0.15 3.63 -1.09 -1.26 -0.45 121.20 123.27 1q8p s ILE 26 Ca 0.04 1.33 -0.08 0.00 -2.23 0.00 0.00 60.65 59.71 1q8p s ILE 26 Cb -0.02 -3.97 0.05 0.00 -1.58 0.00 0.00 42.46 36.94 1q8p s ILE 26 CO -0.08 0.37 0.36 -0.54 -1.23 0.00 0.00 174.94 173.82 1q8p s LYS 27 N 0.05 0.33 -1.38 2.79 1.02 -0.34 -4.93 119.74 117.28 1q8p s LYS 27 Ca 0.33 0.71 -0.03 0.00 0.02 0.00 0.00 55.97 57.00 1q8p s LYS 27 Cb -0.18 -0.05 0.02 0.00 -0.52 0.00 0.00 37.83 37.09 1q8p s LYS 27 CO 0.18 -0.16 0.66 0.09 -0.92 0.00 0.00 175.35 175.20 1q8p n ASN 28 N 4.24 -1.47 -2.01 2.83 3.02 -1.26 -2.02 115.26 118.59 1q8p n ASN 28 Ca -0.24 -0.87 -0.21 0.00 -0.03 0.00 0.00 54.58 53.23 1q8p n ASN 28 Cb 0.55 -3.71 -0.05 0.00 -0.61 0.00 0.00 39.78 35.96 1q8p n ASN 28 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1q8p n ASN 29 N -2.99 -5.63 -4.01 6.41 3.02 -1.25 -4.97 115.26 105.84 1q8p n ASN 29 Ca -0.25 0.24 -0.08 0.00 -0.03 0.00 0.00 54.58 54.47 1q8p n ASN 29 Cb 0.65 -4.82 -0.09 0.00 -0.61 0.00 0.00 39.78 34.91 1q8p n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q8p s ALA 30 N -2.89 0.25 -0.23 5.41 0.00 -0.86 -1.42 121.76 122.03 1q8p s ALA 30 Ca 0.00 -0.98 -0.18 0.00 0.00 0.00 0.00 51.96 50.81 1q8p s ALA 30 Cb 0.00 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 1q8p s ALA 30 CO 0.00 -0.40 0.49 0.08 0.00 0.00 0.00 175.76 175.93 1q8p s VAL 31 N -3.76 5.11 -0.56 0.00 1.01 -0.35 -1.20 120.40 120.66 1q8p s VAL 31 Ca 0.05 0.86 -0.17 0.00 0.00 0.00 0.00 61.98 62.72 1q8p s VAL 31 Cb 0.06 -3.81 0.11 0.00 0.00 0.00 0.00 36.38 32.74 1q8p s VAL 31 CO -0.10 0.15 0.59 -1.10 0.00 0.00 0.00 175.10 174.64 1q8p s GLN 32 N 1.91 3.02 0.17 2.72 -1.52 0.40 -0.93 119.66 125.42 1q8p s GLN 32 Ca 0.21 -1.46 -0.12 0.00 -1.95 0.00 0.00 55.36 52.05 1q8p s GLN 32 Cb -0.15 -4.26 0.06 0.00 -0.22 0.00 0.00 33.01 28.44 1q8p s GLN 32 CO 0.09 -1.40 1.69 -0.07 -0.25 0.00 0.00 175.29 175.35 1q8p h LEU 33 N 9.43 0.84 -9.72 2.90 3.38 -1.63 -2.16 115.31 118.35 1q8p h LEU 33 Ca -0.29 -0.22 -0.62 0.00 0.09 0.00 0.00 57.88 56.84 1q8p h LEU 33 Cb 1.09 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.55 1q8p h LEU 33 CO 1.05 0.84 -0.57 0.42 0.09 0.00 0.00 178.44 180.26 1q8p s THR 34 N -5.38 4.69 0.48 0.22 -4.23 -1.26 -2.83 115.64 107.34 1q8p s THR 34 Ca -0.13 -0.76 -0.24 0.00 -1.18 0.00 0.00 61.69 59.38 1q8p s THR 34 Cb 0.13 -3.29 -0.07 0.00 1.34 0.00 0.00 72.50 70.60 1q8p s THR 34 CO 0.81 0.08 1.42 -0.75 -0.54 0.00 0.00 174.62 175.64 1q8p s LYS 35 N -2.56 3.50 0.02 3.99 2.20 -1.26 -4.77 119.74 120.86 1q8p s LYS 35 Ca 0.31 2.39 0.02 0.00 -0.36 0.00 0.00 55.97 58.33 1q8p s LYS 35 Cb -0.12 -2.54 -0.01 0.00 -1.51 0.00 0.00 37.83 33.65 1q8p s LYS 35 CO 0.23 -0.96 -0.07 0.95 -0.36 0.00 0.00 175.35 175.15 1q8p s THR 36 N -1.22 0.49 0.35 3.43 -4.23 -1.26 -3.09 115.64 110.10 1q8p s THR 36 Ca 0.64 -0.62 -0.06 0.00 -1.18 0.00 0.00 61.69 60.48 1q8p s THR 36 Cb -0.43 -0.48 0.09 0.00 1.34 0.00 0.00 72.50 73.01 1q8p s THR 36 CO 0.55 -0.10 0.31 -0.90 -0.54 0.00 0.00 174.62 173.94 1q8p n ASP 37 N 2.27 -1.27 0.29 3.99 5.68 0.05 -4.77 116.55 122.78 1q8p n ASP 37 Ca -0.17 -0.70 0.14 0.00 -0.50 0.00 0.00 54.79 53.56 1q8p n ASP 37 Cb 0.57 -0.29 0.86 0.00 -1.14 0.00 0.00 41.12 41.12 1q8p n ASP 37 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1q8p h SER 38 N -1.46 0.00 0.01 -1.12 4.64 -2.02 -1.27 113.55 112.32 1q8p h SER 38 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1q8p h SER 38 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1q8p h SER 38 CO 0.08 0.04 -0.03 0.59 -0.87 0.00 0.00 176.83 176.64 1q8p n ASN 39 N -3.78 1.54 0.00 4.97 3.02 -1.26 -4.92 115.26 114.83 1q8p n ASN 39 Ca -0.03 -1.47 0.00 0.00 -0.03 0.00 0.00 54.58 53.06 1q8p n ASN 39 Cb 0.13 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 1q8p n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q8p n GLY 40 N 1.20 0.61 3.80 7.41 0.00 -0.48 -5.05 105.19 112.69 1q8p n GLY 40 Ca 0.18 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1q8p n GLY 40 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1q8p s ASN 41 N -2.14 7.14 0.57 1.61 0.02 -1.26 -4.77 114.94 116.11 1q8p s ASN 41 Ca 0.00 1.40 -0.19 0.00 -1.02 0.00 0.00 52.86 53.05 1q8p s ASN 41 Cb 0.00 -2.41 -0.04 0.00 0.02 0.00 0.00 41.25 38.82 1q8p s ASN 41 CO 0.00 0.18 1.15 -2.16 0.02 0.00 0.00 177.10 176.29 1q8p s PRO 42 N -1.43 3.16 0.19 -0.60 0.04 -1.26 -0.77 135.00 134.33 1q8p s PRO 42 Ca 0.35 1.66 0.07 0.00 0.04 0.00 0.00 61.00 63.12 1q8p s PRO 42 Cb -0.19 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 1q8p s PRO 42 CO 0.22 -1.02 -0.12 0.14 0.04 0.00 0.00 177.00 176.26 1q8p s VAL 43 N -1.78 1.53 0.78 -0.36 -7.23 -1.18 -4.84 120.40 107.33 1q8p s VAL 43 Ca 0.74 -2.16 -0.11 0.00 -1.81 0.00 0.00 61.98 58.64 1q8p s VAL 43 Cb -0.26 -2.00 0.07 0.00 0.56 0.00 0.00 36.38 34.76 1q8p s VAL 43 CO 0.31 -0.63 1.14 0.00 -0.31 0.00 0.00 175.10 175.60 1q8p s ALA 44 N -3.10 2.76 -1.01 1.32 0.00 -1.26 -4.55 121.76 115.92 1q8p s ALA 44 Ca 0.21 -0.67 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 1q8p s ALA 44 Cb 0.01 -2.90 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 1q8p s ALA 44 CO 0.05 -1.56 0.78 0.43 0.00 0.00 0.00 175.76 175.46 1q8p n SER 45 N -3.22 -6.04 -3.90 0.00 7.64 -0.12 -4.99 113.62 103.00 1q8p n SER 45 Ca 0.08 -0.77 -0.11 0.00 1.01 0.00 0.00 58.87 59.08 1q8p n SER 45 Cb 0.61 -3.93 -0.11 0.00 -1.01 0.00 0.00 64.21 59.76 1q8p n SER 45 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1q8p s THR 46 N -3.30 0.06 -0.05 0.44 -1.32 -0.65 -5.00 115.64 105.81 1q8p s THR 46 Ca 0.33 -0.51 -0.05 0.00 -1.21 0.00 0.00 61.69 60.24 1q8p s THR 46 Cb -0.10 -0.26 0.01 0.00 -1.51 0.00 0.00 72.50 70.64 1q8p s THR 46 CO 0.82 -0.28 0.15 -0.69 -2.21 0.00 0.00 174.62 172.40 1q8p s VAL 47 N -0.90 0.01 -0.03 5.08 1.01 -1.26 -0.89 120.40 123.41 1q8p s VAL 47 Ca -0.10 -0.05 -0.24 0.00 0.00 0.00 0.00 61.98 61.59 1q8p s VAL 47 Cb -0.06 -0.23 0.05 0.00 0.00 0.00 0.00 36.38 36.14 1q8p s VAL 47 CO 0.00 -0.03 0.52 -0.83 0.00 0.00 0.00 175.10 174.76 1q8p s GLY 48 N -0.03 -0.40 0.08 4.51 0.00 -0.85 -0.79 107.32 109.84 1q8p s GLY 48 Ca -0.01 0.88 -0.09 0.00 0.00 0.00 0.00 44.72 45.49 1q8p s GLY 48 CO 0.00 0.59 0.21 0.50 0.00 0.00 0.00 173.10 174.39 1q8p s ARG 49 N -1.30 0.82 0.04 2.90 0.52 -0.67 -1.84 118.95 119.43 1q8p s ARG 49 Ca -0.12 -0.84 0.03 0.00 -0.52 0.00 0.00 55.73 54.27 1q8p s ARG 49 Cb -0.02 0.34 -0.02 0.00 0.52 0.00 0.00 34.95 35.76 1q8p s ARG 49 CO 0.07 -0.26 -0.08 0.96 0.02 0.00 0.00 175.30 176.01 1q8p s ILE 50 N -3.47 0.60 0.02 1.52 -4.36 8.38 -0.93 121.20 122.95 1q8p s ILE 50 Ca 0.02 -1.10 0.01 0.00 -0.26 0.00 0.00 60.65 59.32 1q8p s ILE 50 Cb 0.03 -0.66 -0.01 0.00 1.25 0.00 0.00 42.46 43.07 1q8p s ILE 50 CO -0.09 -0.36 -0.03 -0.76 0.24 0.00 0.00 174.94 173.94 1q8p s LEU 51 N -1.58 2.16 0.25 0.37 1.43 -0.55 -1.40 118.68 119.36 1q8p s LEU 51 Ca -0.09 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 52.37 1q8p s LEU 51 Cb -0.10 -0.01 -0.09 0.00 0.03 0.00 0.00 46.19 46.02 1q8p s LEU 51 CO 0.01 -0.17 0.99 0.12 0.23 0.00 0.00 176.35 177.53 1q8p s PHE 52 N -0.93 3.85 0.16 0.29 5.36 -0.70 -0.29 117.98 125.72 1q8p s PHE 52 Ca -0.09 1.84 -0.12 0.00 -0.96 0.00 0.00 56.93 57.60 1q8p s PHE 52 Cb -0.07 -3.08 0.05 0.00 -0.34 0.00 0.00 43.02 39.58 1q8p s PHE 52 CO -0.00 0.12 1.67 0.66 -1.46 0.00 0.00 175.22 176.21 1q8p h SER 53 N 4.02 0.83 -3.34 6.13 4.64 -1.26 -3.43 113.55 121.14 1q8p h SER 53 Ca -0.46 -0.23 -0.52 0.00 -0.47 0.00 0.00 61.79 60.11 1q8p h SER 53 Cb 1.20 -0.22 0.03 0.00 -0.31 0.00 0.00 62.40 63.11 1q8p h SER 53 CO 0.68 0.84 0.67 0.00 -0.87 0.00 0.00 176.83 178.15 1q8p s ALA 54 N -5.32 3.54 0.35 5.18 0.00 -1.26 -4.99 121.76 119.25 1q8p s ALA 54 Ca -0.13 1.13 -0.26 0.00 0.00 0.00 0.00 51.96 52.71 1q8p s ALA 54 Cb 0.12 -3.50 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 1q8p s ALA 54 CO 0.81 -0.57 1.00 -0.65 0.00 0.00 0.00 175.76 176.35 1q8p s GLN 55 N -0.02 4.43 -0.17 0.00 -0.21 -1.26 -4.82 119.66 117.60 1q8p s GLN 55 Ca 0.58 1.45 -0.08 0.00 0.02 0.00 0.00 55.36 57.32 1q8p s GLN 55 Cb -0.37 -2.74 -0.04 0.00 1.00 0.00 0.00 33.01 30.86 1q8p s GLN 55 CO 0.38 0.11 0.11 0.08 -2.12 0.00 0.00 175.29 173.84 1q8p s VAL 56 N -1.59 5.20 -0.74 1.09 1.01 0.81 -4.92 120.40 121.27 1q8p s VAL 56 Ca 0.53 0.11 -0.22 0.00 0.00 0.00 0.00 61.98 62.40 1q8p s VAL 56 Cb -0.21 -3.33 0.08 0.00 0.00 0.00 0.00 36.38 32.92 1q8p s VAL 56 CO 0.27 0.49 1.03 -2.28 0.00 0.00 0.00 175.10 174.61 1q8p s HIS 57 N -0.00 2.76 0.10 5.22 2.46 -1.26 -1.17 115.29 123.39 1q8p s HIS 57 Ca 0.08 -0.74 -0.13 0.00 0.47 0.00 0.00 55.06 54.74 1q8p s HIS 57 Cb -0.12 -4.32 -0.14 0.00 -0.13 0.00 0.00 32.58 27.88 1q8p s HIS 57 CO 0.00 -1.64 1.33 1.25 -2.47 0.00 0.00 174.74 173.21 1q8p h LEU 58 N 11.24 0.91 -7.20 8.88 5.85 -0.75 -3.43 115.31 130.82 1q8p h LEU 58 Ca -0.17 -0.60 -0.05 0.00 0.84 0.00 0.00 57.88 57.91 1q8p h LEU 58 Cb 1.06 -0.27 -0.14 0.00 0.37 0.00 0.00 40.66 41.68 1q8p h LEU 58 CO 1.18 1.35 0.06 -1.66 -0.34 0.00 0.00 178.44 179.03 1q8p s TRP 59 N -3.88 -0.40 -0.21 1.25 1.48 -1.12 -0.04 118.94 116.03 1q8p s TRP 59 Ca -0.11 0.26 -0.00 0.00 -1.06 0.00 0.00 56.10 55.19 1q8p s TRP 59 Cb 0.09 0.38 0.06 0.00 -1.16 0.00 0.00 33.47 32.84 1q8p s TRP 59 CO 0.89 -0.72 -0.03 -2.00 -4.06 0.00 0.00 176.95 171.02 1q8p s GLU 60 N -3.24 1.35 0.12 3.25 2.12 -0.14 -4.55 118.70 117.62 1q8p s GLU 60 Ca -0.01 -0.74 -0.22 0.00 0.36 0.00 0.00 54.97 54.36 1q8p s GLU 60 Cb 0.00 -2.34 -0.04 0.00 0.26 0.00 0.00 34.13 32.01 1q8p s GLU 60 CO -0.08 -0.57 1.68 -0.22 -0.54 0.00 0.00 175.26 175.53 1q8p h LYS 61 N 8.06 -0.15 -0.66 4.30 3.64 -1.97 0.00 116.57 129.80 1q8p h LYS 61 Ca -0.19 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1q8p h LYS 61 Cb 1.09 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.88 1q8p h LYS 61 CO 0.39 -0.10 0.33 0.66 -2.27 0.00 0.00 179.45 178.46 1q8p h SER 62 N -0.15 0.43 0.13 4.20 4.64 -1.97 -2.69 113.55 118.14 1q8p h SER 62 Ca 0.08 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1q8p h SER 62 Cb 0.27 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1q8p h SER 62 CO -0.20 0.26 -0.31 -1.54 -0.87 0.00 0.00 176.83 174.17 1q8p n SER 63 N -4.87 1.43 -2.75 4.97 3.41 -1.16 -4.96 113.62 109.70 1q8p n SER 63 Ca 0.09 -1.16 -0.20 0.00 -0.26 0.00 0.00 58.87 57.34 1q8p n SER 63 Cb 0.23 0.24 0.03 0.00 -0.26 0.00 0.00 64.21 64.46 1q8p n SER 63 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1q8p n SER 64 N -0.35 -5.75 -4.70 4.04 2.88 -0.04 -4.94 113.62 104.77 1q8p n SER 64 Ca 0.12 -0.26 -0.28 0.00 -1.33 0.00 0.00 58.87 57.12 1q8p n SER 64 Cb 0.39 -4.58 -0.07 0.00 -0.75 0.00 0.00 64.21 59.20 1q8p n SER 64 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1q8p s ARG 65 N -5.58 2.57 -0.00 -1.46 0.52 -1.06 -3.64 118.95 110.30 1q8p s ARG 65 Ca 0.27 -0.94 0.03 0.00 -0.52 0.00 0.00 55.73 54.56 1q8p s ARG 65 Cb -0.12 -2.49 -0.01 0.00 0.52 0.00 0.00 34.95 32.85 1q8p s ARG 65 CO 0.33 0.50 -0.09 0.08 0.02 0.00 0.00 175.30 176.14 1q8p s VAL 66 N -1.55 0.71 0.35 3.52 1.01 -0.66 -0.96 120.40 122.81 1q8p s VAL 66 Ca 0.27 -0.44 -0.26 0.00 0.00 0.00 0.00 61.98 61.55 1q8p s VAL 66 Cb -0.10 -0.61 -0.09 0.00 0.00 0.00 0.00 36.38 35.58 1q8p s VAL 66 CO 0.19 0.16 1.06 0.00 0.00 0.00 0.00 175.10 176.51 1q8p s ALA 67 N -0.29 3.20 -0.24 5.51 0.00 0.94 -1.81 121.76 129.07 1q8p s ALA 67 Ca 0.03 0.75 -0.10 0.00 0.00 0.00 0.00 51.96 52.64 1q8p s ALA 67 Cb -0.04 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 1q8p s ALA 67 CO -0.00 -0.17 0.14 1.21 0.00 0.00 0.00 175.76 176.94 1q8p s ASN 68 N -1.35 5.86 0.08 0.00 3.04 -0.05 -4.42 114.94 118.10 1q8p s ASN 68 Ca 0.53 0.03 0.01 0.00 0.04 0.00 0.00 52.86 53.47 1q8p s ASN 68 Cb -0.25 -2.06 -0.04 0.00 -1.54 0.00 0.00 41.25 37.37 1q8p s ASN 68 CO 0.32 0.04 -0.06 0.72 -3.04 0.00 0.00 177.10 175.08 1q8p s PHE 69 N 1.18 0.79 -0.01 0.43 -0.12 -1.11 -1.33 117.98 117.82 1q8p s PHE 69 Ca 0.06 -0.84 0.00 0.00 -0.05 0.00 0.00 56.93 56.10 1q8p s PHE 69 Cb -0.14 -0.47 0.01 0.00 -0.63 0.00 0.00 43.02 41.79 1q8p s PHE 69 CO 0.05 -0.16 0.01 -0.65 -0.05 0.00 0.00 175.22 174.41 1q8p s GLN 70 N -3.36 0.02 -0.11 1.99 -0.21 -0.09 -1.40 119.66 116.50 1q8p s GLN 70 Ca 0.06 0.06 -0.01 0.00 0.02 0.00 0.00 55.36 55.50 1q8p s GLN 70 Cb 0.02 -0.12 0.03 0.00 1.00 0.00 0.00 33.01 33.94 1q8p s GLN 70 CO -0.04 -0.06 -0.07 0.45 -2.12 0.00 0.00 175.29 173.45 1q8p s SER 71 N 0.39 2.17 -0.09 5.90 0.15 0.64 -1.64 113.70 121.22 1q8p s SER 71 Ca -0.03 -0.31 0.02 0.00 0.70 0.00 0.00 55.95 56.33 1q8p s SER 71 Cb -0.05 -0.80 -0.02 0.00 -1.71 0.00 0.00 66.02 63.44 1q8p s SER 71 CO -0.01 -0.13 -0.15 -1.58 1.20 0.00 0.00 173.24 172.57 1q8p s GLN 72 N 1.73 2.98 0.20 5.44 -0.44 -0.25 -0.48 119.66 128.85 1q8p s GLN 72 Ca 0.05 -0.71 -0.21 0.00 -2.50 0.00 0.00 55.36 51.98 1q8p s GLN 72 Cb -0.13 -2.49 0.05 0.00 -1.64 0.00 0.00 33.01 28.80 1q8p s GLN 72 CO -0.08 0.38 0.61 -0.59 0.50 0.00 0.00 175.29 176.11 1q8p s PHE 73 N -0.09 -0.34 0.02 1.67 -0.12 -0.25 -0.59 117.98 118.29 1q8p s PHE 73 Ca -0.03 0.02 0.01 0.00 -0.05 0.00 0.00 56.93 56.89 1q8p s PHE 73 Cb -0.14 0.56 -0.01 0.00 -0.63 0.00 0.00 43.02 42.80 1q8p s PHE 73 CO 0.04 -0.97 -0.05 -1.54 -0.05 0.00 0.00 175.22 172.64 1q8p s SER 74 N -2.83 0.58 0.19 1.98 1.04 -0.96 -0.23 113.70 113.47 1q8p s SER 74 Ca 0.06 -0.29 -0.10 0.00 0.48 0.00 0.00 55.95 56.10 1q8p s SER 74 Cb -0.02 -0.00 -0.01 0.00 0.10 0.00 0.00 66.02 66.08 1q8p s SER 74 CO -0.05 -0.08 0.33 0.72 0.98 0.00 0.00 173.24 175.14 1q8p s PHE 75 N -0.70 0.45 0.00 5.02 -0.71 -0.96 -0.57 117.98 120.51 1q8p s PHE 75 Ca -0.04 -0.80 -0.04 0.00 -1.04 0.00 0.00 56.93 55.00 1q8p s PHE 75 Cb -0.05 -0.02 -0.00 0.00 -1.21 0.00 0.00 43.02 41.73 1q8p s PHE 75 CO -0.00 -0.80 0.08 -1.54 -1.34 0.00 0.00 175.22 171.62 1q8p s SER 76 N -3.00 0.08 -0.01 1.98 1.04 -0.64 -0.85 113.70 112.29 1q8p s SER 76 Ca 0.21 -0.24 0.07 0.00 0.48 0.00 0.00 55.95 56.47 1q8p s SER 76 Cb 0.02 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.30 1q8p s SER 76 CO 0.04 -0.29 -0.23 -0.76 0.98 0.00 0.00 173.24 172.98 1q8p s LEU 77 N -1.17 2.06 -0.06 2.42 1.43 -1.26 -1.62 118.68 120.48 1q8p s LEU 77 Ca -0.13 -0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 52.50 1q8p s LEU 77 Cb -0.07 -1.17 0.02 0.00 0.03 0.00 0.00 46.19 45.00 1q8p s LEU 77 CO 0.00 0.27 0.14 -0.75 0.23 0.00 0.00 176.35 176.25 1q8p s LYS 78 N -0.62 0.14 -0.27 1.70 2.20 -1.19 -0.19 119.74 121.51 1q8p s LYS 78 Ca 0.09 0.26 -0.23 0.00 -0.36 0.00 0.00 55.97 55.73 1q8p s LYS 78 Cb -0.09 -0.01 0.07 0.00 -1.51 0.00 0.00 37.83 36.30 1q8p s LYS 78 CO -0.01 -0.07 0.72 0.45 -0.36 0.00 0.00 175.35 176.09 1q8p s SER 79 N 0.45 -0.79 0.19 1.43 0.15 -1.26 -0.75 113.70 113.13 1q8p s SER 79 Ca -0.03 1.45 0.25 0.00 0.70 0.00 0.00 55.95 58.31 1q8p s SER 79 Cb -0.05 1.43 0.90 0.00 -1.71 0.00 0.00 66.02 66.60 1q8p s SER 79 CO -0.02 -0.24 1.74 -0.81 1.20 0.00 0.00 173.24 175.11 1q8p n PRO 80 N 3.07 0.19 -2.35 5.44 -0.04 -1.26 -4.83 135.00 135.22 1q8p n PRO 80 Ca -0.15 0.28 -0.32 0.00 -0.04 0.00 0.00 63.50 63.27 1q8p n PRO 80 Cb 0.56 -1.78 -0.03 0.00 -0.04 0.00 0.00 33.50 32.21 1q8p n PRO 80 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1q8p s LEU 81 N -4.26 3.57 0.47 1.53 1.43 -1.26 -4.98 118.68 115.19 1q8p s LEU 81 Ca 0.08 1.51 0.27 0.00 -1.03 0.00 0.00 54.13 54.95 1q8p s LEU 81 Cb 0.12 -4.46 0.83 0.00 0.03 0.00 0.00 46.19 42.70 1q8p s LEU 81 CO 0.49 -0.62 1.78 0.77 0.23 0.00 0.00 176.35 179.00 1q8p h SER 82 N 0.73 0.00 -2.18 2.29 4.64 -1.97 -3.36 113.55 113.70 1q8p h SER 82 Ca -0.46 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.27 1q8p h SER 82 Cb 1.19 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.87 1q8p h SER 82 CO 0.62 0.09 -0.84 0.59 -0.87 0.00 0.00 176.83 176.41 1q8p n ASN 83 N -3.16 1.87 -4.76 4.97 4.13 -1.26 -5.10 115.26 111.94 1q8p n ASN 83 Ca 0.02 -3.03 -0.39 0.00 1.68 0.00 0.00 54.58 52.86 1q8p n ASN 83 Cb 0.44 -0.65 0.02 0.00 -1.54 0.00 0.00 39.78 38.05 1q8p n ASN 83 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1q8p s GLY 84 N -1.67 2.89 0.14 7.41 0.00 -1.26 -4.57 107.32 110.26 1q8p s GLY 84 Ca 0.36 1.34 -0.05 0.00 0.00 0.00 0.00 44.72 46.37 1q8p s GLY 84 CO -0.08 1.89 0.16 0.00 0.00 0.00 0.00 173.10 175.07 1q8p s ALA 85 N -1.28 0.40 -0.03 3.20 0.00 -1.24 -4.31 121.76 118.51 1q8p s ALA 85 Ca 0.66 -1.15 0.11 0.00 0.00 0.00 0.00 51.96 51.57 1q8p s ALA 85 Cb -0.40 0.81 -0.16 0.00 0.00 0.00 0.00 23.12 23.36 1q8p s ALA 85 CO 0.50 -0.55 0.21 -0.25 0.00 0.00 0.00 175.76 175.67 1q8p n ASP 86 N -0.13 2.55 0.00 0.00 8.00 0.74 -2.65 116.55 125.06 1q8p n ASP 86 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1q8p n ASP 86 Cb 0.63 1.40 0.00 0.00 -0.02 0.00 0.00 41.12 43.13 1q8p n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q8p n GLY 87 N 1.95 3.16 3.29 0.44 0.00 -1.23 -2.67 105.19 110.13 1q8p n GLY 87 Ca -0.04 -1.68 -0.24 0.00 0.00 0.00 0.00 46.02 44.07 1q8p n GLY 87 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1q8p s ILE 88 N -2.00 1.71 -0.03 -0.61 2.07 -0.97 -3.07 121.20 118.30 1q8p s ILE 88 Ca 0.00 -1.56 -0.05 0.00 -1.41 0.00 0.00 60.65 57.63 1q8p s ILE 88 Cb 0.00 -1.57 0.01 0.00 0.13 0.00 0.00 42.46 41.03 1q8p s ILE 88 CO 0.00 -0.08 0.13 0.00 -1.91 0.00 0.00 174.94 173.08 1q8p s ALA 89 N -1.21 -0.30 -0.11 1.50 0.00 0.68 -0.87 121.76 121.44 1q8p s ALA 89 Ca 0.07 0.17 -0.15 0.00 0.00 0.00 0.00 51.96 52.05 1q8p s ALA 89 Cb -0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 1q8p s ALA 89 CO 0.04 -0.11 0.36 0.12 0.00 0.00 0.00 175.76 176.17 1q8p s PHE 90 N -0.44 3.53 0.10 0.00 5.36 -0.59 -0.65 117.98 125.30 1q8p s PHE 90 Ca -0.05 0.76 -0.02 0.00 -0.96 0.00 0.00 56.93 56.66 1q8p s PHE 90 Cb -0.03 -2.38 -0.04 0.00 -0.34 0.00 0.00 43.02 40.23 1q8p s PHE 90 CO 0.01 0.32 0.04 -0.59 -1.46 0.00 0.00 175.22 173.53 1q8p s PHE 91 N 0.14 0.69 -0.06 10.12 -0.71 -0.11 -0.84 117.98 127.22 1q8p s PHE 91 Ca 0.21 -1.13 0.01 0.00 -1.04 0.00 0.00 56.93 54.98 1q8p s PHE 91 Cb -0.14 -0.42 0.02 0.00 -1.21 0.00 0.00 43.02 41.27 1q8p s PHE 91 CO 0.08 -0.48 -0.09 0.42 -1.34 0.00 0.00 175.22 173.81 1q8p s ILE 92 N -3.99 0.91 0.33 -4.49 1.01 0.09 -1.83 121.20 113.22 1q8p s ILE 92 Ca 0.17 -0.33 -0.10 0.00 0.00 0.00 0.00 60.65 60.39 1q8p s ILE 92 Cb 0.07 -0.87 0.02 0.00 0.01 0.00 0.00 42.46 41.69 1q8p s ILE 92 CO -0.03 0.31 0.59 0.00 0.00 0.00 0.00 174.94 175.81 1q8p s ALA 93 N 0.90 -0.07 0.60 9.38 0.00 -0.84 -2.13 121.76 129.60 1q8p s ALA 93 Ca -0.11 -1.05 -0.20 0.00 0.00 0.00 0.00 51.96 50.61 1q8p s ALA 93 Cb -0.15 0.96 -0.03 0.00 0.00 0.00 0.00 23.12 23.90 1q8p s ALA 93 CO 0.01 -0.88 1.25 -2.30 0.00 0.00 0.00 175.76 173.84 1q8p n PRO 94 N -0.51 1.29 -0.16 0.00 -0.02 -1.26 -1.10 135.00 133.25 1q8p n PRO 94 Ca -0.03 0.49 0.23 0.00 -2.02 0.00 0.00 63.50 62.17 1q8p n PRO 94 Cb 0.61 -2.47 0.64 0.00 -0.02 0.00 0.00 33.50 32.26 1q8p n PRO 94 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1q8p h PRO 95 N 0.87 0.14 -0.69 0.52 0.11 -1.86 -1.76 132.00 129.34 1q8p h PRO 95 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1q8p h PRO 95 Cb 1.33 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1q8p h PRO 95 CO 0.54 0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 1q8p n ASP 96 N -4.38 3.59 -4.76 -2.05 3.85 -1.26 -4.89 116.55 106.65 1q8p n ASP 96 Ca 0.17 -2.45 -0.41 0.00 -0.71 0.00 0.00 54.79 51.38 1q8p n ASP 96 Cb 0.79 -0.55 -0.01 0.00 -1.35 0.00 0.00 41.12 39.99 1q8p n ASP 96 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1q8p s THR 97 N -1.94 2.21 0.19 2.12 -1.32 -0.66 -5.02 115.64 111.23 1q8p s THR 97 Ca 0.33 0.20 0.00 0.00 -1.21 0.00 0.00 61.69 61.00 1q8p s THR 97 Cb 0.23 -3.12 -0.04 0.00 -1.51 0.00 0.00 72.50 68.06 1q8p s THR 97 CO 0.12 0.04 0.08 0.42 -2.21 0.00 0.00 174.62 173.07 1q8p s THR 98 N -0.51 0.30 -0.10 5.08 -4.23 -1.26 -5.09 115.64 109.83 1q8p s THR 98 Ca 0.58 -1.97 -0.29 0.00 -1.18 0.00 0.00 61.69 58.82 1q8p s THR 98 Cb -0.46 -2.35 -0.05 0.00 1.34 0.00 0.00 72.50 70.99 1q8p s THR 98 CO 0.53 -0.21 1.72 -0.63 -0.54 0.00 0.00 174.62 175.49 1q8p s ILE 99 N -3.93 3.51 0.40 2.99 1.01 -1.26 -4.96 121.20 118.96 1q8p s ILE 99 Ca 0.32 0.60 -0.26 0.00 0.00 0.00 0.00 60.65 61.31 1q8p s ILE 99 Cb 0.07 -3.44 -0.09 0.00 0.01 0.00 0.00 42.46 39.02 1q8p s ILE 99 CO 0.08 -0.11 1.32 -2.84 0.00 0.00 0.00 174.94 173.39 1q8p s PRO 100 N 4.41 3.97 0.23 2.79 0.02 -1.26 -4.93 135.00 140.22 1q8p s PRO 100 Ca 0.76 2.20 -0.32 0.00 0.02 0.00 0.00 61.00 63.67 1q8p s PRO 100 Cb -0.32 -2.78 -0.12 0.00 0.02 0.00 0.00 34.50 31.30 1q8p s PRO 100 CO 0.31 -0.51 1.70 0.45 -0.33 0.00 0.00 177.00 178.62 1q8p s SER 101 N -0.67 6.37 -1.14 2.53 0.15 -1.26 -2.02 113.70 117.65 1q8p s SER 101 Ca 0.57 2.89 0.00 0.00 0.70 0.00 0.00 55.95 60.11 1q8p s SER 101 Cb -0.39 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.31 1q8p s SER 101 CO 0.50 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.59 1q8p n GLY 102 N 3.56 0.49 0.92 9.45 0.00 -1.26 -4.48 105.19 113.87 1q8p n GLY 102 Ca 0.14 -0.41 0.05 0.00 0.00 0.00 0.00 46.02 45.79 1q8p n GLY 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q8p n SER 103 N -0.16 2.61 -3.34 1.61 3.41 -0.86 -4.31 113.62 112.58 1q8p n SER 103 Ca -0.13 -2.23 -0.24 0.00 -0.26 0.00 0.00 58.87 56.01 1q8p n SER 103 Cb 0.52 -0.42 0.20 0.00 -0.26 0.00 0.00 64.21 64.25 1q8p n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1q8p n GLY 104 N 0.68 -2.62 7.00 5.00 0.00 -1.26 0.27 105.19 114.26 1q8p n GLY 104 Ca 0.13 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1q8p n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q8p n GLY 105 N -3.14 3.44 0.00 -0.02 0.00 -1.26 -2.12 105.19 102.09 1q8p n GLY 105 Ca 0.12 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.14 1q8p n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q8p n GLY 106 N 0.00 -0.69 0.34 -0.02 0.00 -1.26 -1.58 105.19 101.98 1q8p n GLY 106 Ca 0.00 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.13 1q8p n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q8p n LEU 107 N -1.44 1.10 -1.35 0.99 4.77 -0.90 -4.94 117.00 115.23 1q8p n LEU 107 Ca 0.02 -0.34 -0.12 0.00 -0.03 0.00 0.00 56.01 55.54 1q8p n LEU 107 Cb 0.08 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 1q8p n LEU 107 CO 0.06 0.19 -0.12 0.18 -1.33 0.00 0.00 177.39 176.37 1q8p n LEU 108 N -0.23 -0.90 -0.25 2.23 4.77 -0.61 -1.28 117.00 120.73 1q8p n LEU 108 Ca 0.18 0.31 -0.03 0.00 -0.03 0.00 0.00 56.01 56.44 1q8p n LEU 108 Cb 0.31 -1.92 -0.01 0.00 -2.33 0.00 0.00 43.42 39.47 1q8p n LEU 108 CO 0.19 -0.66 -0.03 0.61 -1.33 0.00 0.00 177.39 176.17 1q8p n GLY 109 N -0.23 0.60 0.06 -0.72 0.00 0.14 -3.90 105.19 101.15 1q8p n GLY 109 Ca -0.12 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.50 1q8p n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q8p n LEU 110 N -0.37 0.38 -4.30 0.99 4.77 -0.40 -4.47 117.00 113.60 1q8p n LEU 110 Ca -0.03 -0.01 -0.20 0.00 -0.03 0.00 0.00 56.01 55.74 1q8p n LEU 110 Cb 0.20 0.18 -0.11 0.00 -2.33 0.00 0.00 43.42 41.36 1q8p n LEU 110 CO 0.05 0.34 -0.47 -0.36 -1.33 0.00 0.00 177.39 175.62 1q8p s PHE 111 N -2.28 1.64 0.11 -1.77 0.40 -1.17 -4.84 117.98 110.07 1q8p s PHE 111 Ca -0.07 -0.51 -0.13 0.00 -0.60 0.00 0.00 56.93 55.61 1q8p s PHE 111 Cb 0.04 -0.83 -0.06 0.00 0.51 0.00 0.00 43.02 42.67 1q8p s PHE 111 CO 0.45 0.26 0.50 0.00 0.70 0.00 0.00 175.22 177.12 1q8p s ALA 112 N -2.17 3.63 0.23 5.36 0.00 -1.26 -4.06 121.76 123.49 1q8p s ALA 112 Ca 0.14 -0.20 -0.07 0.00 0.00 0.00 0.00 51.96 51.82 1q8p s ALA 112 Cb -0.05 -2.45 0.39 0.00 0.00 0.00 0.00 23.12 21.01 1q8p s ALA 112 CO 0.05 0.49 1.70 -1.35 0.00 0.00 0.00 175.76 176.64 1q8p h PRO 113 N 3.74 0.27 0.00 0.00 0.11 -1.78 0.44 132.00 134.77 1q8p h PRO 113 Ca -0.49 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 1q8p h PRO 113 Cb 1.20 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1q8p h PRO 113 CO 0.65 0.18 -0.14 0.78 -0.21 0.00 0.00 178.00 179.26 1q8p h GLY 114 N 0.28 0.00 -0.26 -0.55 0.00 -1.94 -3.24 103.07 97.36 1q8p h GLY 114 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1q8p h GLY 114 CO -0.46 0.00 -0.13 -1.30 0.00 0.00 0.00 176.54 174.65 1q8p n THR 115 N -4.01 1.05 0.00 4.70 -2.24 -0.96 -4.82 114.28 108.00 1q8p n THR 115 Ca -0.02 -1.22 0.22 0.00 -2.27 0.00 0.00 64.05 60.75 1q8p n THR 115 Cb 0.23 0.21 0.72 0.00 -2.10 0.00 0.00 70.33 69.39 1q8p n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1q8p h ALA 116 N 0.00 2.42 -0.10 6.98 0.00 -0.95 -1.54 119.26 126.07 1q8p h ALA 116 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1q8p h ALA 116 Cb 1.01 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1q8p h ALA 116 CO 0.00 -0.71 0.00 1.04 0.00 0.00 0.00 179.25 179.58 1q8p n GLN 117 N -4.16 2.15 -3.43 0.00 6.02 -1.26 -1.04 117.38 115.66 1q8p n GLN 117 Ca 0.10 -2.43 -0.43 0.00 -0.01 0.00 0.00 57.00 54.23 1q8p n GLN 117 Cb 0.65 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 30.36 1q8p n GLN 117 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1q8p s ASN 118 N -2.15 5.96 0.57 1.08 3.84 -0.58 -4.95 114.94 118.71 1q8p s ASN 118 Ca 0.29 -1.90 0.26 0.00 0.21 0.00 0.00 52.86 51.72 1q8p s ASN 118 Cb 0.24 -2.11 1.62 0.00 -0.55 0.00 0.00 41.25 40.44 1q8p s ASN 118 CO 0.05 -0.76 2.16 0.71 -2.79 0.00 0.00 177.10 176.47 1q8p h THR 119 N 5.96 0.62 -0.01 -5.21 1.35 -1.84 -1.31 112.91 112.47 1q8p h THR 119 Ca -0.24 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1q8p h THR 119 Cb 1.08 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1q8p h THR 119 CO 0.94 0.00 -0.07 -1.54 -0.25 0.00 0.00 175.52 174.60 1q8p n SER 120 N -4.01 0.66 -0.75 5.36 3.41 -1.26 -3.51 113.62 113.52 1q8p n SER 120 Ca -0.00 -0.92 0.08 0.00 -0.26 0.00 0.00 58.87 57.77 1q8p n SER 120 Cb 0.21 -0.03 0.11 0.00 -0.26 0.00 0.00 64.21 64.25 1q8p n SER 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q8p n ALA 121 N -0.66 2.42 -2.30 7.33 0.00 -0.49 -5.00 120.51 121.81 1q8p n ALA 121 Ca 0.18 -0.78 -0.14 0.00 0.00 0.00 0.00 53.44 52.69 1q8p n ALA 121 Cb 0.26 -0.59 -0.10 0.00 0.00 0.00 0.00 19.45 19.02 1q8p n ALA 121 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1q8p s ASN 122 N -1.30 1.70 -0.39 0.00 0.01 -1.23 -5.07 114.94 108.65 1q8p s ASN 122 Ca 0.24 -0.96 0.02 0.00 -0.71 0.00 0.00 52.86 51.44 1q8p s ASN 122 Cb 0.15 -0.00 0.15 0.00 0.41 0.00 0.00 41.25 41.96 1q8p s ASN 122 CO 0.22 -0.32 0.27 -1.10 -1.51 0.00 0.00 177.10 174.66 1q8p s GLN 123 N -3.51 0.80 -0.24 -0.60 -0.21 -1.26 -4.81 119.66 109.83 1q8p s GLN 123 Ca 0.14 -1.74 -0.26 0.00 0.02 0.00 0.00 55.36 53.52 1q8p s GLN 123 Cb 0.01 -1.50 0.08 0.00 1.00 0.00 0.00 33.01 32.61 1q8p s GLN 123 CO 0.00 -1.27 0.79 0.54 -2.12 0.00 0.00 175.29 173.23 1q8p s VAL 124 N 0.56 0.00 -0.10 1.09 0.11 -1.26 -4.28 120.40 116.51 1q8p s VAL 124 Ca 0.24 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.31 1q8p s VAL 124 Cb -0.13 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.73 1q8p s VAL 124 CO -0.07 0.00 -0.18 -0.63 -3.33 0.00 0.00 175.10 170.89 1q8p s ILE 125 N 0.05 1.65 0.03 7.04 1.01 -0.91 -0.99 121.20 129.08 1q8p s ILE 125 Ca -0.01 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 59.84 1q8p s ILE 125 Cb -0.04 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.94 1q8p s ILE 125 CO 0.01 0.47 0.06 0.00 0.00 0.00 0.00 174.94 175.48 1q8p s ALA 126 N 0.72 -0.01 -0.26 9.38 0.00 -0.02 -0.73 121.76 130.84 1q8p s ALA 126 Ca -0.12 -0.56 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 1q8p s ALA 126 Cb -0.16 0.21 0.04 0.00 0.00 0.00 0.00 23.12 23.21 1q8p s ALA 126 CO 0.02 -0.27 -0.06 0.08 0.00 0.00 0.00 175.76 175.53 1q8p s VAL 127 N -2.30 2.75 0.08 0.00 1.01 -0.02 -0.09 120.40 121.84 1q8p s VAL 127 Ca -0.08 -1.20 0.03 0.00 0.00 0.00 0.00 61.98 60.73 1q8p s VAL 127 Cb -0.03 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1q8p s VAL 127 CO -0.03 0.11 0.10 -1.83 0.00 0.00 0.00 175.10 173.44 1q8p s GLU 128 N 1.27 2.96 -0.44 2.72 -1.05 0.25 -1.54 118.70 122.87 1q8p s GLU 128 Ca -0.02 -0.67 0.03 0.00 -0.15 0.00 0.00 54.97 54.16 1q8p s GLU 128 Cb -0.18 -2.76 0.12 0.00 -0.44 0.00 0.00 34.13 30.87 1q8p s GLU 128 CO -0.04 0.57 0.19 -0.06 0.95 0.00 0.00 175.26 176.86 1q8p s PHE 129 N -1.42 2.94 -0.31 4.83 0.40 -0.05 -0.89 117.98 123.48 1q8p s PHE 129 Ca 0.30 -2.85 -0.14 0.00 -0.60 0.00 0.00 56.93 53.64 1q8p s PHE 129 Cb -0.12 -2.55 -0.02 0.00 0.51 0.00 0.00 43.02 40.83 1q8p s PHE 129 CO 0.23 -0.81 0.33 0.34 0.70 0.00 0.00 175.22 176.01 1q8p s ASP 130 N 0.31 6.17 0.00 1.36 -1.08 -0.41 -2.30 116.67 120.72 1q8p s ASP 130 Ca 0.15 -0.07 0.19 0.00 -0.52 0.00 0.00 52.55 52.30 1q8p s ASP 130 Cb -0.23 -2.19 -0.09 0.00 -1.46 0.00 0.00 42.92 38.95 1q8p s ASP 130 CO -0.04 -0.25 0.89 0.35 0.52 0.00 0.00 175.17 176.64 1q8p n THR 131 N 5.17 0.00 -4.39 1.71 -2.24 -1.09 -1.86 114.28 111.58 1q8p n THR 131 Ca -0.10 -0.20 -0.32 0.00 -2.27 0.00 0.00 64.05 61.16 1q8p n THR 131 Cb 0.50 1.13 -0.16 0.00 -2.10 0.00 0.00 70.33 69.70 1q8p n THR 131 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1q8p s PHE 132 N -2.42 2.57 -0.05 4.78 5.36 -1.25 -4.80 117.98 122.18 1q8p s PHE 132 Ca 0.12 -1.39 0.17 0.00 -0.96 0.00 0.00 56.93 54.87 1q8p s PHE 132 Cb 0.15 -1.78 0.31 0.00 -0.34 0.00 0.00 43.02 41.36 1q8p s PHE 132 CO 0.60 -0.67 1.13 2.48 -1.46 0.00 0.00 175.22 177.31 1q8p n TYR 133 N 4.35 0.00 -1.60 10.12 4.11 -1.26 -4.94 117.16 127.94 1q8p n TYR 133 Ca -0.20 -0.58 -0.54 0.00 -0.00 0.00 0.00 57.90 56.58 1q8p n TYR 133 Cb 0.51 -0.14 -0.07 0.00 -0.00 0.00 0.00 39.34 39.64 1q8p n TYR 133 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1q8p n ALA 134 N -0.05 0.44 0.05 -3.48 0.00 -1.26 -4.76 120.51 111.44 1q8p n ALA 134 Ca 0.07 0.22 0.01 0.00 0.00 0.00 0.00 53.44 53.74 1q8p n ALA 134 Cb 0.92 -2.38 0.03 0.00 0.00 0.00 0.00 19.45 18.03 1q8p n ALA 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1q8p n GLN 135 N 6.62 0.01 0.01 0.00 1.13 -1.26 -0.52 117.38 123.37 1q8p n GLN 135 Ca 0.32 0.40 -0.15 0.00 -1.94 0.00 0.00 57.00 55.63 1q8p n GLN 135 Cb 0.18 -1.50 -0.14 0.00 0.11 0.00 0.00 30.24 28.89 1q8p n GLN 135 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 1q8p h ASP 136 N 0.00 0.25 0.00 1.08 2.03 -1.97 -3.37 116.42 114.44 1q8p h ASP 136 Ca 0.00 -0.46 -0.32 0.00 -0.73 0.00 0.00 57.03 55.52 1q8p h ASP 136 Cb 0.02 -0.08 -0.05 0.00 -0.83 0.00 0.00 39.33 38.39 1q8p h ASP 136 CO 0.00 1.41 -2.09 -1.54 -1.03 0.00 0.00 179.24 175.99 1q8p n SER 137 N -3.31 1.73 -3.83 4.15 3.41 -0.88 -4.66 113.62 110.23 1q8p n SER 137 Ca -0.21 0.14 -0.42 0.00 -0.26 0.00 0.00 58.87 58.12 1q8p n SER 137 Cb 1.05 -0.50 0.01 0.00 -0.26 0.00 0.00 64.21 64.51 1q8p n SER 137 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1q8p n ASN 138 N -3.64 6.46 0.30 4.04 5.03 0.32 -4.80 115.26 122.98 1q8p n ASN 138 Ca -0.37 -3.35 0.17 0.00 0.87 0.00 0.00 54.58 51.89 1q8p n ASN 138 Cb 0.80 -1.32 0.97 0.00 -1.02 0.00 0.00 39.78 39.21 1q8p n ASN 138 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1q8p h THR 139 N 3.18 0.43 0.00 3.41 1.35 -1.73 -2.25 112.91 117.29 1q8p h THR 139 Ca 0.38 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.24 1q8p h THR 139 Cb 0.52 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1q8p h THR 139 CO 1.40 0.00 0.00 4.11 -0.25 0.00 0.00 175.52 180.78 1q8p h TRP 140 N 0.00 0.00 -3.98 4.73 0.09 -1.91 -3.47 115.95 111.41 1q8p h TRP 140 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 58.89 58.51 1q8p h TRP 140 Cb 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.25 1q8p h TRP 140 CO 0.00 0.00 0.26 -0.51 0.09 0.00 0.00 178.44 178.28 1q8p s ASP 141 N -5.06 6.70 0.82 0.11 1.01 -0.85 -4.78 116.67 114.62 1q8p s ASP 141 Ca 0.09 1.45 -0.11 0.00 0.71 0.00 0.00 52.55 54.69 1q8p s ASP 141 Cb 0.10 -2.45 0.08 0.00 1.01 0.00 0.00 42.92 41.66 1q8p s ASP 141 CO 0.61 -0.43 1.09 -2.16 0.21 0.00 0.00 175.17 174.49 1q8p s PRO 142 N -3.65 1.89 -1.37 8.23 0.04 -1.26 -4.91 135.00 133.97 1q8p s PRO 142 Ca 0.57 0.71 -0.06 0.00 0.04 0.00 0.00 61.00 62.25 1q8p s PRO 142 Cb -0.10 -1.89 0.09 0.00 0.04 0.00 0.00 34.50 32.64 1q8p s PRO 142 CO 0.25 -1.77 2.45 -1.71 0.04 0.00 0.00 177.00 176.25 1q8p n ASN 143 N -3.55 7.99 -3.64 6.66 5.15 -1.26 -4.85 115.26 121.77 1q8p n ASN 143 Ca 0.07 -3.05 -0.03 0.00 -0.60 0.00 0.00 54.58 50.97 1q8p n ASN 143 Cb 0.56 -1.40 -0.02 0.00 -0.53 0.00 0.00 39.78 38.39 1q8p n ASN 143 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1q8p s TYR 144 N -0.56 -0.03 0.48 1.20 -0.85 -1.26 -5.11 117.35 111.22 1q8p s TYR 144 Ca 0.56 0.02 -0.23 0.00 -0.52 0.00 0.00 57.07 56.89 1q8p s TYR 144 Cb 0.18 0.50 -0.07 0.00 0.38 0.00 0.00 41.96 42.96 1q8p s TYR 144 CO -0.09 -0.04 1.32 -1.25 -1.52 0.00 0.00 175.55 173.97 1q8p s PRO 145 N -2.07 3.53 0.20 -3.49 0.04 -1.26 -4.85 135.00 127.10 1q8p s PRO 145 Ca 0.11 2.15 -0.18 0.00 0.04 0.00 0.00 61.00 63.12 1q8p s PRO 145 Cb -0.01 -2.46 0.03 0.00 0.04 0.00 0.00 34.50 32.10 1q8p s PRO 145 CO -0.03 -0.85 0.55 -3.38 0.04 0.00 0.00 177.00 173.33 1q8p s HIS 146 N -1.33 -0.15 -0.15 0.56 -3.43 -0.78 -1.53 115.29 108.48 1q8p s HIS 146 Ca 0.65 -0.19 -0.05 0.00 -0.80 0.00 0.00 55.06 54.67 1q8p s HIS 146 Cb -0.38 0.43 -0.04 0.00 -1.43 0.00 0.00 32.58 31.17 1q8p s HIS 146 CO 0.47 -0.94 0.02 0.42 -2.00 0.00 0.00 174.74 172.71 1q8p s ILE 147 N -3.87 4.46 0.07 -5.38 1.01 -0.81 -1.29 121.20 115.40 1q8p s ILE 147 Ca 0.09 -0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.60 1q8p s ILE 147 Cb -0.01 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 1q8p s ILE 147 CO -0.02 0.52 -0.09 -0.83 0.00 0.00 0.00 174.94 174.52 1q8p s GLY 148 N -0.04 0.68 -0.23 6.18 0.00 -0.07 -1.79 107.32 112.05 1q8p s GLY 148 Ca 0.04 -1.01 -0.06 0.00 0.00 0.00 0.00 44.72 43.69 1q8p s GLY 148 CO 0.02 -1.08 0.02 -0.42 0.00 0.00 0.00 173.10 171.64 1q8p s ILE 149 N -2.10 3.96 -0.19 0.90 1.01 -0.33 -0.58 121.20 123.87 1q8p s ILE 149 Ca -0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.30 1q8p s ILE 149 Cb -0.05 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 1q8p s ILE 149 CO -0.01 0.39 -0.03 -1.81 0.00 0.00 0.00 174.94 173.48 1q8p s ASP 150 N 1.40 4.65 -0.34 3.58 -0.00 0.87 -1.09 116.67 125.75 1q8p s ASP 150 Ca 0.05 -0.24 0.02 0.00 -0.00 0.00 0.00 52.55 52.38 1q8p s ASP 150 Cb -0.15 -1.78 0.10 0.00 -0.00 0.00 0.00 42.92 41.09 1q8p s ASP 150 CO 0.01 0.07 0.08 -0.69 -0.00 0.00 0.00 175.17 174.64 1q8p s VAL 151 N 0.94 1.71 -1.83 -1.27 1.01 -1.26 -0.84 120.40 118.86 1q8p s VAL 151 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 59.98 1q8p s VAL 151 Cb -0.14 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1q8p s VAL 151 CO 0.01 -0.64 0.00 0.59 0.00 0.00 0.00 175.10 175.06 1q8p n ASN 152 N 4.44 -5.45 -3.56 3.32 3.02 -0.16 -4.92 115.26 111.95 1q8p n ASN 152 Ca 0.02 0.43 -0.16 0.00 -0.03 0.00 0.00 54.58 54.84 1q8p n ASN 152 Cb 0.42 -4.46 -0.06 0.00 -0.61 0.00 0.00 39.78 35.06 1q8p n ASN 152 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1q8p s SER 153 N -2.69 -0.65 0.44 6.41 0.15 -1.26 -3.60 113.70 112.50 1q8p s SER 153 Ca 0.00 0.89 0.29 0.00 0.70 0.00 0.00 55.95 57.83 1q8p s SER 153 Cb 0.00 0.78 1.01 0.00 -1.71 0.00 0.00 66.02 66.10 1q8p s SER 153 CO 0.00 -0.47 1.83 -0.29 1.20 0.00 0.00 173.24 175.51 1q8p h ILE 154 N 3.25 0.00 -2.83 6.45 6.09 -1.45 -3.38 117.51 125.63 1q8p h ILE 154 Ca -0.27 -0.57 -0.60 0.00 -1.37 0.00 0.00 64.86 62.05 1q8p h ILE 154 Cb 1.15 1.52 -0.12 0.00 0.47 0.00 0.00 36.82 39.84 1q8p h ILE 154 CO 0.28 0.00 0.68 -0.60 -3.07 0.00 0.00 178.15 175.44 1q8p s ARG 155 N -3.44 3.23 0.31 2.19 3.52 -1.26 -4.93 118.95 118.57 1q8p s ARG 155 Ca 0.04 -0.44 -0.28 0.00 -0.13 0.00 0.00 55.73 54.92 1q8p s ARG 155 Cb 0.08 -4.14 -0.13 0.00 -1.56 0.00 0.00 34.95 29.20 1q8p s ARG 155 CO 0.55 -1.75 1.14 0.43 -0.81 0.00 0.00 175.30 174.86 1q8p n SER 156 N 7.99 1.98 0.09 -2.12 7.64 -1.26 -4.81 113.62 123.13 1q8p n SER 156 Ca 0.00 1.19 0.12 0.00 1.01 0.00 0.00 58.87 61.19 1q8p n SER 156 Cb 0.47 -1.38 0.45 0.00 -1.01 0.00 0.00 64.21 62.74 1q8p n SER 156 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1q8p n VAL 157 N 0.29 0.71 -3.63 0.44 0.24 -0.25 -4.77 118.33 111.36 1q8p n VAL 157 Ca 0.07 0.07 -0.10 0.00 -2.04 0.00 0.00 64.34 62.34 1q8p n VAL 157 Cb 0.34 -0.91 -0.07 0.00 -1.47 0.00 0.00 33.84 31.73 1q8p n VAL 157 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1q8p s LYS 158 N -3.18 0.56 0.05 7.34 2.20 -1.23 -5.01 119.74 120.47 1q8p s LYS 158 Ca 0.07 0.60 -0.04 0.00 -0.36 0.00 0.00 55.97 56.24 1q8p s LYS 158 Cb 0.11 0.27 -0.02 0.00 -1.51 0.00 0.00 37.83 36.68 1q8p s LYS 158 CO 0.44 -0.08 0.06 0.95 -0.36 0.00 0.00 175.35 176.36 1q8p s THR 159 N 0.10 0.16 0.03 3.43 -4.23 -1.26 -1.19 115.64 112.68 1q8p s THR 159 Ca 0.02 -1.36 0.01 0.00 -1.18 0.00 0.00 61.69 59.19 1q8p s THR 159 Cb -0.04 -1.17 -0.02 0.00 1.34 0.00 0.00 72.50 72.60 1q8p s THR 159 CO -0.04 -0.75 -0.06 0.68 -0.54 0.00 0.00 174.62 173.91 1q8p s VAL 160 N -3.27 0.37 0.33 2.29 -7.23 -0.74 -4.98 120.40 107.17 1q8p s VAL 160 Ca 0.01 -0.88 -0.29 0.00 -1.81 0.00 0.00 61.98 59.01 1q8p s VAL 160 Cb 0.03 -0.44 -0.10 0.00 0.56 0.00 0.00 36.38 36.42 1q8p s VAL 160 CO -0.08 -0.34 1.39 -0.75 -0.31 0.00 0.00 175.10 175.01 1q8p s LYS 161 N -1.30 4.26 0.07 4.82 2.20 -1.26 -1.92 119.74 126.61 1q8p s LYS 161 Ca -0.10 2.34 0.03 0.00 -0.36 0.00 0.00 55.97 57.88 1q8p s LYS 161 Cb -0.09 -3.05 -0.03 0.00 -1.51 0.00 0.00 37.83 33.16 1q8p s LYS 161 CO -0.00 -0.34 -0.08 -0.46 -0.36 0.00 0.00 175.35 174.11 1q8p s TRP 162 N -0.90 0.85 -0.22 4.03 -0.00 -0.59 -4.79 118.94 117.32 1q8p s TRP 162 Ca 0.52 -0.65 -0.05 0.00 -0.00 0.00 0.00 56.10 55.92 1q8p s TRP 162 Cb -0.42 -0.49 -0.02 0.00 -0.00 0.00 0.00 33.47 32.54 1q8p s TRP 162 CO 0.54 -0.08 0.00 0.34 -0.00 0.00 0.00 176.95 177.76 1q8p s ASP 163 N -2.19 4.73 -0.05 5.86 3.68 -1.26 -4.42 116.67 123.02 1q8p s ASP 163 Ca -0.00 -0.27 -0.26 0.00 2.13 0.00 0.00 52.55 54.16 1q8p s ASP 163 Cb -0.04 -1.82 -0.03 0.00 -1.45 0.00 0.00 42.92 39.57 1q8p s ASP 163 CO -0.01 0.01 0.80 -0.60 0.13 0.00 0.00 175.17 175.50 1q8p s ARG 164 N 1.32 4.47 -0.21 4.34 3.52 -1.26 -5.03 118.95 126.09 1q8p s ARG 164 Ca 0.04 1.06 0.01 0.00 -0.13 0.00 0.00 55.73 56.71 1q8p s ARG 164 Cb -0.15 -3.46 0.05 0.00 -1.56 0.00 0.00 34.95 29.83 1q8p s ARG 164 CO 0.01 0.00 -0.08 1.03 -0.81 0.00 0.00 175.30 175.45 1q8p s ARG 165 N 0.95 1.80 0.18 5.12 0.52 -1.26 -5.10 118.95 121.17 1q8p s ARG 165 Ca 0.42 -0.86 -0.32 0.00 -0.52 0.00 0.00 55.73 54.46 1q8p s ARG 165 Cb -0.19 -2.43 -0.11 0.00 0.52 0.00 0.00 34.95 32.74 1q8p s ARG 165 CO 0.21 -0.49 1.77 -3.47 0.02 0.00 0.00 175.30 173.34 1q8p n ASP 166 N 4.70 4.04 0.00 0.23 2.03 -1.26 -2.50 116.55 123.79 1q8p n ASP 166 Ca -0.13 1.03 0.00 0.00 0.52 0.00 0.00 54.79 56.21 1q8p n ASP 166 Cb 0.46 -1.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.29 1q8p n ASP 166 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1q8p n GLY 167 N 4.09 0.83 3.80 0.27 0.00 0.74 -5.00 105.19 109.93 1q8p n GLY 167 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1q8p n GLY 167 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q8p s GLN 168 N -0.30 3.90 0.16 1.61 -0.21 -1.04 -4.91 119.66 118.86 1q8p s GLN 168 Ca 0.00 0.05 -0.30 0.00 0.02 0.00 0.00 55.36 55.13 1q8p s GLN 168 Cb 0.00 -3.30 -0.07 0.00 1.00 0.00 0.00 33.01 30.64 1q8p s GLN 168 CO 0.00 0.53 1.02 -1.12 -2.12 0.00 0.00 175.29 173.60 1q8p s SER 169 N -0.40 7.41 -0.16 5.90 0.01 -1.26 -4.47 113.70 120.72 1q8p s SER 169 Ca 0.17 1.96 -0.04 0.00 1.31 0.00 0.00 55.95 59.34 1q8p s SER 169 Cb -0.13 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.47 1q8p s SER 169 CO 0.05 -0.11 -0.03 -0.22 0.41 0.00 0.00 173.24 173.35 1q8p s LEU 170 N -0.35 3.25 -0.18 2.44 2.96 -0.03 -4.33 118.68 122.44 1q8p s LEU 170 Ca 0.47 -0.14 -0.11 0.00 -0.22 0.00 0.00 54.13 54.13 1q8p s LEU 170 Cb -0.27 -1.79 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 1q8p s LEU 170 CO 0.33 0.15 0.18 0.20 -1.32 0.00 0.00 176.35 175.88 1q8p s ASN 171 N 0.47 6.29 -0.01 3.68 0.01 -0.18 -2.27 114.94 122.94 1q8p s ASN 171 Ca -0.03 0.34 0.05 0.00 -0.71 0.00 0.00 52.86 52.50 1q8p s ASN 171 Cb -0.14 -2.11 -0.01 0.00 0.41 0.00 0.00 41.25 39.39 1q8p s ASN 171 CO 0.03 0.19 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.96 1q8p s VAL 172 N 0.22 1.18 -0.14 1.60 1.01 0.68 -0.51 120.40 124.45 1q8p s VAL 172 Ca 0.11 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1q8p s VAL 172 Cb -0.12 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.30 1q8p s VAL 172 CO 0.00 0.33 -0.13 -0.22 0.00 0.00 0.00 175.10 175.09 1q8p s LEU 173 N -0.35 1.60 -0.17 3.92 2.96 0.04 -1.09 118.68 125.58 1q8p s LEU 173 Ca 0.06 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 53.50 1q8p s LEU 173 Cb -0.06 -1.12 -0.01 0.00 0.50 0.00 0.00 46.19 45.51 1q8p s LEU 173 CO -0.01 -0.07 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.16 1q8p s VAL 174 N 1.51 2.97 0.06 1.68 1.01 0.37 -1.46 120.40 126.54 1q8p s VAL 174 Ca 0.05 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.42 1q8p s VAL 174 Cb -0.13 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1q8p s VAL 174 CO -0.10 0.49 -0.15 -0.89 0.00 0.00 0.00 175.10 174.45 1q8p s THR 175 N 0.92 1.19 -0.07 3.92 2.01 -0.13 -0.26 115.64 123.23 1q8p s THR 175 Ca -0.02 -1.20 0.01 0.00 0.31 0.00 0.00 61.69 60.78 1q8p s THR 175 Cb -0.15 -1.11 0.02 0.00 0.01 0.00 0.00 72.50 71.27 1q8p s THR 175 CO -0.01 -0.10 -0.07 0.12 -0.69 0.00 0.00 174.62 173.88 1q8p s PHE 176 N -1.07 1.13 -0.30 4.92 5.36 -0.49 -0.33 117.98 127.20 1q8p s PHE 176 Ca 0.01 -0.44 -0.04 0.00 -0.96 0.00 0.00 56.93 55.50 1q8p s PHE 176 Cb -0.09 -0.96 0.03 0.00 -0.34 0.00 0.00 43.02 41.67 1q8p s PHE 176 CO 0.02 -0.33 0.03 1.21 -1.46 0.00 0.00 175.22 174.69 1q8p s ASN 177 N 1.26 4.95 0.59 6.13 3.84 -0.88 -2.74 114.94 128.09 1q8p s ASN 177 Ca -0.05 -1.04 0.35 0.00 0.21 0.00 0.00 52.86 52.34 1q8p s ASN 177 Cb -0.14 -1.78 1.81 0.00 -0.55 0.00 0.00 41.25 40.59 1q8p s ASN 177 CO -0.02 -0.24 2.17 1.55 -2.79 0.00 0.00 177.10 177.77 1q8p h PRO 178 N 8.11 0.00 -0.25 0.43 0.13 -1.88 0.68 132.00 139.23 1q8p h PRO 178 Ca -0.26 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.78 1q8p h PRO 178 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1q8p h PRO 178 CO 0.57 0.04 -0.21 0.77 -0.23 0.00 0.00 178.00 178.94 1q8p h SER 179 N 0.00 0.61 0.00 1.44 0.02 -1.94 -3.28 113.55 110.41 1q8p h SER 179 Ca -0.00 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1q8p h SER 179 Cb 0.24 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1q8p h SER 179 CO 0.01 0.95 -1.23 0.35 -1.14 0.00 0.00 176.83 175.77 1q8p n THR 180 N -4.38 0.00 -1.83 -2.27 -2.24 -1.12 -4.97 114.28 97.47 1q8p n THR 180 Ca -0.04 -0.15 -0.17 0.00 -2.27 0.00 0.00 64.05 61.41 1q8p n THR 180 Cb 0.42 0.73 -0.05 0.00 -2.10 0.00 0.00 70.33 69.33 1q8p n THR 180 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1q8p n ARG 181 N -1.68 -1.29 -3.26 -0.78 1.74 0.24 -4.88 116.66 106.75 1q8p n ARG 181 Ca 0.02 1.01 -0.39 0.00 -0.77 0.00 0.00 57.85 57.72 1q8p n ARG 181 Cb 0.38 -5.34 -0.06 0.00 -1.02 0.00 0.00 32.46 26.41 1q8p n ARG 181 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1q8p s ASN 182 N -2.58 6.66 -0.37 0.55 -0.87 -1.13 -0.82 114.94 116.39 1q8p s ASN 182 Ca 0.00 0.79 -0.12 0.00 -1.57 0.00 0.00 52.86 51.96 1q8p s ASN 182 Cb 0.00 -2.30 0.01 0.00 -0.02 0.00 0.00 41.25 38.94 1q8p s ASN 182 CO 0.00 -0.08 0.23 -0.22 -2.57 0.00 0.00 177.10 174.46 1q8p s LEU 183 N 1.06 4.71 -0.08 0.60 2.96 0.43 -2.06 118.68 126.29 1q8p s LEU 183 Ca 0.26 -0.78 -0.01 0.00 -0.22 0.00 0.00 54.13 53.38 1q8p s LEU 183 Cb -0.15 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 1q8p s LEU 183 CO 0.11 -0.35 -0.01 -1.81 -1.32 0.00 0.00 176.35 172.96 1q8p s ASP 184 N 1.63 5.10 -0.08 3.68 1.01 0.56 -1.46 116.67 127.10 1q8p s ASP 184 Ca 0.04 0.10 0.03 0.00 0.71 0.00 0.00 52.55 53.43 1q8p s ASP 184 Cb -0.18 -1.40 0.01 0.00 1.01 0.00 0.00 42.92 42.36 1q8p s ASP 184 CO 0.08 0.37 -0.15 -0.69 0.21 0.00 0.00 175.17 174.99 1q8p s VAL 185 N -0.88 1.41 -0.09 -1.27 1.01 0.02 -0.95 120.40 119.66 1q8p s VAL 185 Ca 0.13 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1q8p s VAL 185 Cb -0.11 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.02 1q8p s VAL 185 CO 0.02 0.42 -0.06 -0.69 0.00 0.00 0.00 175.10 174.79 1q8p s VAL 186 N 0.65 0.83 -0.01 2.92 1.01 -0.53 -1.81 120.40 123.47 1q8p s VAL 186 Ca -0.14 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 61.69 1q8p s VAL 186 Cb -0.16 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 1q8p s VAL 186 CO 0.04 0.32 -0.18 0.00 0.00 0.00 0.00 175.10 175.28 1q8p s ALA 187 N 1.49 1.48 0.01 5.51 0.00 -0.17 -0.78 121.76 129.30 1q8p s ALA 187 Ca -0.00 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 1q8p s ALA 187 Cb -0.13 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 1q8p s ALA 187 CO -0.05 0.36 0.01 0.95 0.00 0.00 0.00 175.76 177.03 1q8p s THR 188 N -0.48 0.09 0.36 0.00 -4.23 0.34 -0.66 115.64 111.06 1q8p s THR 188 Ca 0.07 -0.74 0.06 0.00 -1.18 0.00 0.00 61.69 59.90 1q8p s THR 188 Cb -0.07 -0.26 -0.00 0.00 1.34 0.00 0.00 72.50 73.50 1q8p s THR 188 CO -0.00 -0.41 0.51 -0.31 -0.54 0.00 0.00 174.62 173.87 1q8p s TYR 189 N -1.24 3.07 -0.29 3.99 1.51 -0.52 -1.01 117.35 122.87 1q8p s TYR 189 Ca -0.14 -0.21 0.22 0.00 -1.01 0.00 0.00 57.07 55.94 1q8p s TYR 189 Cb -0.08 -2.09 1.11 0.00 -0.11 0.00 0.00 41.96 40.79 1q8p s TYR 189 CO -0.00 -0.12 1.68 -1.13 -1.11 0.00 0.00 175.55 174.87 1q8p n SER 190 N -1.72 0.60 -0.77 2.29 3.41 -1.26 -1.71 113.62 114.45 1q8p n SER 190 Ca 0.01 0.73 0.10 0.00 -0.26 0.00 0.00 58.87 59.46 1q8p n SER 190 Cb 0.58 -0.83 0.29 0.00 -0.26 0.00 0.00 64.21 63.99 1q8p n SER 190 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1q8p n ASP 191 N -2.25 2.30 0.00 4.04 5.75 -1.26 -4.91 116.55 120.21 1q8p n ASP 191 Ca -0.00 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 1q8p n ASP 191 Cb 0.09 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 1q8p n ASP 191 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q8p n GLY 192 N 1.24 0.70 3.71 6.12 0.00 -0.70 -5.04 105.19 111.24 1q8p n GLY 192 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1q8p n GLY 192 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q8p s THR 193 N -2.41 2.64 0.04 2.61 2.01 -1.25 -4.83 115.64 114.44 1q8p s THR 193 Ca 0.00 0.42 0.07 0.00 0.31 0.00 0.00 61.69 62.49 1q8p s THR 193 Cb 0.00 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 1q8p s THR 193 CO 0.00 0.03 -0.20 -0.60 -0.69 0.00 0.00 174.62 173.16 1q8p s ARG 194 N 1.35 1.35 -0.02 4.92 3.52 -1.26 -1.43 118.95 127.37 1q8p s ARG 194 Ca 0.71 -0.90 0.04 0.00 -0.13 0.00 0.00 55.73 55.45 1q8p s ARG 194 Cb -0.44 -1.44 -0.01 0.00 -1.56 0.00 0.00 34.95 31.51 1q8p s ARG 194 CO 0.31 0.37 -0.13 0.71 -0.81 0.00 0.00 175.30 175.75 1q8p s TYR 195 N -0.78 1.22 -0.00 5.12 1.51 0.16 -4.99 117.35 119.59 1q8p s TYR 195 Ca 0.07 -0.27 0.01 0.00 -1.01 0.00 0.00 57.07 55.87 1q8p s TYR 195 Cb -0.09 -0.81 0.00 0.00 -0.11 0.00 0.00 41.96 40.96 1q8p s TYR 195 CO 0.01 -0.06 -0.02 -1.21 -1.11 0.00 0.00 175.55 173.17 1q8p s GLU 196 N -0.15 0.14 -0.17 -0.62 2.02 -1.26 -1.00 118.70 117.67 1q8p s GLU 196 Ca 0.02 -0.05 -0.16 0.00 0.02 0.00 0.00 54.97 54.80 1q8p s GLU 196 Cb -0.07 -0.15 0.04 0.00 0.10 0.00 0.00 34.13 34.06 1q8p s GLU 196 CO 0.00 0.02 0.46 0.54 0.02 0.00 0.00 175.26 176.31 1q8p s VAL 197 N 0.03 0.00 0.06 2.63 0.11 -0.75 -4.99 120.40 117.49 1q8p s VAL 197 Ca -0.00 -0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.06 1q8p s VAL 197 Cb -0.01 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 34.16 1q8p s VAL 197 CO -0.00 -0.01 -0.07 -0.55 -3.33 0.00 0.00 175.10 171.14 1q8p s SER 198 N 0.19 0.88 -0.15 3.54 0.15 -1.26 -0.79 113.70 116.26 1q8p s SER 198 Ca -0.00 -0.71 -0.13 0.00 0.70 0.00 0.00 55.95 55.81 1q8p s SER 198 Cb -0.03 0.07 0.04 0.00 -1.71 0.00 0.00 66.02 64.39 1q8p s SER 198 CO 0.01 -0.31 0.39 -0.47 1.20 0.00 0.00 173.24 174.06 1q8p s TYR 199 N -2.21 -0.46 -0.22 3.44 6.14 -0.54 -4.98 117.35 118.52 1q8p s TYR 199 Ca -0.03 1.09 -0.18 0.00 0.64 0.00 0.00 57.07 58.59 1q8p s TYR 199 Cb -0.04 0.16 -0.03 0.00 0.42 0.00 0.00 41.96 42.47 1q8p s TYR 199 CO -0.02 -0.23 0.51 -2.00 0.64 0.00 0.00 175.55 174.45 1q8p s GLU 200 N 0.40 4.14 -0.11 4.97 2.12 -1.26 -0.43 118.70 128.53 1q8p s GLU 200 Ca -0.02 0.36 -0.09 0.00 0.36 0.00 0.00 54.97 55.59 1q8p s GLU 200 Cb -0.04 -3.59 0.04 0.00 0.26 0.00 0.00 34.13 30.79 1q8p s GLU 200 CO -0.02 -0.22 0.29 0.54 -0.54 0.00 0.00 175.26 175.32 1q8p s VAL 201 N 1.86 -0.01 -0.60 3.70 0.11 -0.00 -5.00 120.40 120.46 1q8p s VAL 201 Ca 0.23 0.04 -0.21 0.00 -2.93 0.00 0.00 61.98 59.11 1q8p s VAL 201 Cb -0.15 -0.43 0.08 0.00 -1.53 0.00 0.00 36.38 34.35 1q8p s VAL 201 CO 0.09 0.02 0.83 -0.62 -3.33 0.00 0.00 175.10 172.09 1q8p s ASP 202 N 0.52 6.20 0.62 3.54 -1.08 -1.26 -4.74 116.67 120.47 1q8p s ASP 202 Ca -0.03 -1.05 0.34 0.00 -0.52 0.00 0.00 52.55 51.29 1q8p s ASP 202 Cb -0.04 -2.36 1.94 0.00 -1.46 0.00 0.00 42.92 41.00 1q8p s ASP 202 CO -0.03 -1.23 2.23 -0.37 0.52 0.00 0.00 175.17 176.29 1q8p h VAL 203 N 5.95 0.33 0.00 1.11 -1.51 -1.97 -2.20 116.25 117.96 1q8p h VAL 203 Ca -0.29 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.14 1q8p h VAL 203 Cb 1.08 0.94 -0.01 0.00 -2.13 0.00 0.00 31.29 31.17 1q8p h VAL 203 CO 1.11 0.00 -0.21 0.03 -1.23 0.00 0.00 177.57 177.28 1q8p h ARG 204 N 0.00 0.00 -0.02 5.19 3.08 -1.91 -0.29 114.38 120.44 1q8p h ARG 204 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1q8p h ARG 204 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1q8p h ARG 204 CO -0.00 0.21 0.00 -1.13 -1.07 0.00 0.00 179.97 177.97 1q8p n SER 205 N -4.18 1.52 -0.02 7.04 3.41 -0.83 -4.30 113.62 116.27 1q8p n SER 205 Ca -0.02 -1.51 -0.03 0.00 -0.26 0.00 0.00 58.87 57.05 1q8p n SER 205 Cb 0.27 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.20 1q8p n SER 205 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1q8p n VAL 206 N 0.19 0.22 -4.40 -3.33 0.31 -0.83 -5.08 118.33 105.41 1q8p n VAL 206 Ca 0.19 -0.09 -0.24 0.00 -0.01 0.00 0.00 64.34 64.18 1q8p n VAL 206 Cb 0.36 -0.68 -0.11 0.00 -0.91 0.00 0.00 33.84 32.50 1q8p n VAL 206 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1q8p s LEU 207 N -5.10 2.47 0.99 7.52 1.43 -0.18 -4.57 118.68 121.25 1q8p s LEU 207 Ca -0.05 -0.90 -0.13 0.00 -1.03 0.00 0.00 54.13 52.02 1q8p s LEU 207 Cb 0.01 -1.02 0.18 0.00 0.03 0.00 0.00 46.19 45.40 1q8p s LEU 207 CO 0.10 0.04 1.12 -2.16 0.23 0.00 0.00 176.35 175.67 1q8p s PRO 208 N -2.92 0.48 0.23 1.29 0.04 -1.26 -4.63 135.00 128.24 1q8p s PRO 208 Ca 0.21 0.33 -0.08 0.00 0.04 0.00 0.00 61.00 61.50 1q8p s PRO 208 Cb -0.06 -1.76 0.22 0.00 0.04 0.00 0.00 34.50 32.94 1q8p s PRO 208 CO 0.10 -2.65 1.89 0.93 0.04 0.00 0.00 177.00 177.30 1q8p h GLU 209 N -1.83 1.09 -5.80 4.56 5.08 -1.95 -3.42 114.58 112.31 1q8p h GLU 209 Ca -0.52 -0.07 -0.67 0.00 -1.00 0.00 0.00 59.36 57.11 1q8p h GLU 209 Cb 1.33 -0.25 -0.20 0.00 0.50 0.00 0.00 28.75 30.13 1q8p h GLU 209 CO 0.57 0.72 -0.69 -1.58 -1.00 0.00 0.00 179.01 177.03 1q8p s TRP 210 N -6.12 2.97 0.29 4.33 0.52 -1.26 -0.04 118.94 119.64 1q8p s TRP 210 Ca -0.13 -0.12 0.03 0.00 0.02 0.00 0.00 56.10 55.90 1q8p s TRP 210 Cb 0.17 -1.81 -0.03 0.00 -1.15 0.00 0.00 33.47 30.65 1q8p s TRP 210 CO 0.79 0.18 0.27 0.14 0.02 0.00 0.00 176.95 178.36 1q8p s VAL 211 N -0.35 0.00 0.13 4.03 -7.23 -0.32 -4.32 120.40 112.34 1q8p s VAL 211 Ca 0.05 -1.93 0.09 0.00 -1.81 0.00 0.00 61.98 58.38 1q8p s VAL 211 Cb -0.12 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 1q8p s VAL 211 CO 0.02 0.00 -0.21 -0.13 -0.31 0.00 0.00 175.10 174.48 1q8p s ARG 212 N -3.60 1.21 0.11 4.82 0.52 -0.25 -0.13 118.95 121.62 1q8p s ARG 212 Ca 0.38 -1.27 0.10 0.00 -0.52 0.00 0.00 55.73 54.42 1q8p s ARG 212 Cb 0.03 -1.43 -0.04 0.00 0.52 0.00 0.00 34.95 34.03 1q8p s ARG 212 CO 0.22 0.32 -0.24 0.14 0.02 0.00 0.00 175.30 175.76 1q8p s VAL 213 N -1.45 2.01 0.00 3.52 -7.23 -1.26 -1.99 120.40 113.99 1q8p s VAL 213 Ca 0.11 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 1q8p s VAL 213 Cb -0.09 -1.79 0.00 0.00 0.56 0.00 0.00 36.38 35.07 1q8p s VAL 213 CO 0.05 0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.51 1q8p n GLY 214 N 1.07 1.13 3.14 2.32 0.00 -0.76 -1.73 105.19 110.37 1q8p n GLY 214 Ca -0.18 -0.61 -0.15 0.00 0.00 0.00 0.00 46.02 45.08 1q8p n GLY 214 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q8p s PHE 215 N -2.13 0.98 0.02 1.61 0.40 -0.49 -0.93 117.98 117.44 1q8p s PHE 215 Ca 0.00 -0.59 -0.01 0.00 -0.60 0.00 0.00 56.93 55.74 1q8p s PHE 215 Cb 0.00 -0.55 -0.02 0.00 0.51 0.00 0.00 43.02 42.96 1q8p s PHE 215 CO 0.00 -0.02 -0.02 0.45 0.70 0.00 0.00 175.22 176.33 1q8p s SER 216 N -2.10 0.24 0.09 1.36 0.15 0.18 -1.36 113.70 112.25 1q8p s SER 216 Ca 0.00 -0.50 -0.21 0.00 0.70 0.00 0.00 55.95 55.94 1q8p s SER 216 Cb -0.06 0.11 0.05 0.00 -1.71 0.00 0.00 66.02 64.42 1q8p s SER 216 CO 0.00 -0.32 0.52 0.00 1.20 0.00 0.00 173.24 174.64 1q8p s ALA 217 N -1.55 -1.31 0.14 5.45 0.00 -0.76 -0.23 121.76 123.49 1q8p s ALA 217 Ca -0.15 0.44 -0.20 0.00 0.00 0.00 0.00 51.96 52.05 1q8p s ALA 217 Cb -0.09 0.57 0.06 0.00 0.00 0.00 0.00 23.12 23.65 1q8p s ALA 217 CO -0.01 -0.60 0.52 0.00 0.00 0.00 0.00 175.76 175.67 1q8p s ALA 218 N -3.04 -1.33 -0.03 0.00 0.00 -1.17 -2.01 121.76 114.17 1q8p s ALA 218 Ca -0.02 0.30 -0.00 0.00 0.00 0.00 0.00 51.96 52.24 1q8p s ALA 218 Cb -0.00 0.77 0.03 0.00 0.00 0.00 0.00 23.12 23.92 1q8p s ALA 218 CO -0.07 -0.70 0.02 -1.12 0.00 0.00 0.00 175.76 173.89 1q8p s SER 219 N -2.70 0.41 0.00 0.00 0.01 -0.07 -0.19 113.70 111.16 1q8p s SER 219 Ca 0.01 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1q8p s SER 219 Cb 0.00 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.06 1q8p s SER 219 CO -0.12 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.01 1q8p n GLY 220 N 4.31 0.53 0.13 3.44 0.00 -1.26 -1.64 105.19 110.69 1q8p n GLY 220 Ca -0.24 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.75 1q8p n GLY 220 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1q8p h GLU 221 N 0.00 0.02 -6.13 1.61 4.39 -1.97 -0.30 114.58 112.20 1q8p h GLU 221 Ca 0.00 -0.02 -0.57 0.00 0.34 0.00 0.00 59.36 59.11 1q8p h GLU 221 Cb 0.00 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.60 1q8p h GLU 221 CO 0.00 0.70 -0.53 -0.65 -1.16 0.00 0.00 179.01 177.36 1q8p s GLN 222 N -3.47 3.10 0.19 2.33 -1.52 -1.26 -4.86 119.66 114.16 1q8p s GLN 222 Ca -0.01 -0.74 -0.08 0.00 -1.95 0.00 0.00 55.36 52.58 1q8p s GLN 222 Cb 0.12 -2.78 -0.02 0.00 -0.22 0.00 0.00 33.01 30.12 1q8p s GLN 222 CO 0.78 0.51 0.29 1.52 -0.25 0.00 0.00 175.29 178.13 1q8p s TYR 223 N -1.70 0.55 -0.13 0.91 1.13 -1.25 -4.24 117.35 112.63 1q8p s TYR 223 Ca 0.32 -0.89 -0.32 0.00 -1.41 0.00 0.00 57.07 54.77 1q8p s TYR 223 Cb -0.11 -0.12 0.13 0.00 -1.10 0.00 0.00 41.96 40.77 1q8p s TYR 223 CO 0.25 -0.76 1.07 1.14 -2.51 0.00 0.00 175.55 174.75 1q8p s GLN 224 N -4.02 0.51 0.46 -3.49 -2.07 -1.08 -3.69 119.66 106.28 1q8p s GLN 224 Ca 0.23 -0.13 -0.20 0.00 -1.82 0.00 0.00 55.36 53.44 1q8p s GLN 224 Cb 0.03 0.24 -0.10 0.00 -1.09 0.00 0.00 33.01 32.09 1q8p s GLN 224 CO 0.04 -0.21 0.97 0.95 -1.32 0.00 0.00 175.29 175.72 1q8p s THR 225 N -2.37 4.37 -0.39 3.63 -4.23 0.07 -4.86 115.64 111.85 1q8p s THR 225 Ca 0.06 1.39 0.02 0.00 -1.18 0.00 0.00 61.69 61.98 1q8p s THR 225 Cb -0.01 -3.61 0.12 0.00 1.34 0.00 0.00 72.50 70.34 1q8p s THR 225 CO -0.05 -0.40 0.16 -1.00 -0.54 0.00 0.00 174.62 172.79 1q8p s HIS 226 N -2.27 2.28 -0.35 3.99 0.09 -1.26 -3.20 115.29 114.57 1q8p s HIS 226 Ca 0.62 -2.36 -0.12 0.00 -0.00 0.00 0.00 55.06 53.20 1q8p s HIS 226 Cb -0.10 -2.08 0.00 0.00 -0.00 0.00 0.00 32.58 30.40 1q8p s HIS 226 CO 0.18 -0.84 0.22 0.99 -0.00 0.00 0.00 174.74 175.29 1q8p s THR 227 N 0.80 4.93 -0.31 1.30 2.01 -0.64 -1.88 115.64 121.86 1q8p s THR 227 Ca 0.14 -0.50 -0.23 0.00 0.31 0.00 0.00 61.69 61.41 1q8p s THR 227 Cb -0.21 -3.62 -0.00 0.00 0.01 0.00 0.00 72.50 68.67 1q8p s THR 227 CO -0.09 -0.10 0.76 -0.22 -0.69 0.00 0.00 174.62 174.28 1q8p s LEU 228 N 1.65 4.10 -0.12 4.42 2.96 -0.11 -1.63 118.68 129.95 1q8p s LEU 228 Ca 0.05 0.59 0.09 0.00 -0.22 0.00 0.00 54.13 54.64 1q8p s LEU 228 Cb -0.18 -3.03 -0.23 0.00 0.50 0.00 0.00 46.19 43.25 1q8p s LEU 228 CO 0.08 -0.60 0.35 -0.62 -1.32 0.00 0.00 176.35 174.24 1q8p n GLU 229 N 6.17 0.67 -3.50 1.98 1.02 0.26 -1.21 120.64 126.04 1q8p n GLU 229 Ca 0.03 0.19 -0.12 0.00 -0.02 0.00 0.00 57.16 57.24 1q8p n GLU 229 Cb 0.48 -1.68 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 1q8p n GLU 229 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1q8p s SER 230 N -6.15 -0.47 -0.29 1.62 1.04 -1.19 -4.29 113.70 103.96 1q8p s SER 230 Ca -0.13 -0.01 -0.15 0.00 0.48 0.00 0.00 55.95 56.14 1q8p s SER 230 Cb 0.07 0.55 0.12 0.00 0.10 0.00 0.00 66.02 66.86 1q8p s SER 230 CO 0.79 -0.88 0.81 0.86 0.98 0.00 0.00 173.24 175.80 1q8p s TRP 231 N -3.41 -0.90 0.03 5.02 -0.00 -0.40 -2.28 118.94 117.01 1q8p s TRP 231 Ca -0.00 1.74 0.05 0.00 -0.00 0.00 0.00 56.10 57.88 1q8p s TRP 231 Cb -0.00 0.54 -0.02 0.00 -0.00 0.00 0.00 33.47 33.99 1q8p s TRP 231 CO -0.10 -0.45 -0.14 -1.54 -0.00 0.00 0.00 176.95 174.72 1q8p s SER 232 N 1.76 1.70 -0.04 5.86 1.04 0.25 0.60 113.70 124.86 1q8p s SER 232 Ca -0.09 -0.43 -0.06 0.00 0.48 0.00 0.00 55.95 55.86 1q8p s SER 232 Cb -0.05 -0.12 0.01 0.00 0.10 0.00 0.00 66.02 65.95 1q8p s SER 232 CO -0.18 0.06 0.15 0.12 0.98 0.00 0.00 173.24 174.37 1q8p s PHE 233 N -0.76 -0.11 -0.09 5.02 2.19 -0.11 -1.09 117.98 123.02 1q8p s PHE 233 Ca 0.02 0.27 -0.09 0.00 0.33 0.00 0.00 56.93 57.46 1q8p s PHE 233 Cb -0.07 0.03 0.02 0.00 -1.31 0.00 0.00 43.02 41.69 1q8p s PHE 233 CO 0.01 -0.14 0.26 -0.08 1.83 0.00 0.00 175.22 177.10 1q8p s THR 234 N -0.33 0.00 -0.07 0.12 -1.32 -0.65 -1.10 115.64 112.30 1q8p s THR 234 Ca -0.04 -0.02 -0.09 0.00 -1.21 0.00 0.00 61.69 60.33 1q8p s THR 234 Cb -0.03 -0.37 0.02 0.00 -1.51 0.00 0.00 72.50 70.61 1q8p s THR 234 CO 0.01 -0.01 0.23 -0.94 -2.21 0.00 0.00 174.62 171.70 1q8p s SER 235 N 0.08 -0.20 -0.11 8.08 1.04 -0.11 -0.91 113.70 121.57 1q8p s SER 235 Ca -0.00 0.33 -0.05 0.00 0.48 0.00 0.00 55.95 56.71 1q8p s SER 235 Cb -0.02 0.43 0.05 0.00 0.10 0.00 0.00 66.02 66.58 1q8p s SER 235 CO 0.00 -0.17 0.25 -0.89 0.98 0.00 0.00 173.24 173.41 1q8p s THR 236 N -0.27 -0.06 0.12 2.02 2.01 -0.44 -1.35 115.64 117.68 1q8p s THR 236 Ca -0.04 0.15 -0.31 0.00 0.31 0.00 0.00 61.69 61.81 1q8p s THR 236 Cb -0.03 -0.38 -0.07 0.00 0.01 0.00 0.00 72.50 72.02 1q8p s THR 236 CO 0.01 0.06 1.29 -0.76 -0.69 0.00 0.00 174.62 174.54 1q8p s LEU 237 N 1.31 4.39 0.14 4.42 1.43 -0.53 -0.87 118.68 128.97 1q8p s LEU 237 Ca -0.09 2.23 0.06 0.00 -1.03 0.00 0.00 54.13 55.30 1q8p s LEU 237 Cb -0.10 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 1q8p s LEU 237 CO -0.09 -0.54 -0.14 -0.76 0.23 0.00 0.00 176.35 175.05 1q8p s LEU 238 N 0.73 2.44 0.18 1.79 1.43 -0.75 -4.93 118.68 119.58 1q8p s LEU 238 Ca 0.60 -0.87 -0.30 0.00 -1.03 0.00 0.00 54.13 52.53 1q8p s LEU 238 Cb -0.34 -0.56 -0.08 0.00 0.03 0.00 0.00 46.19 45.24 1q8p s LEU 238 CO 0.32 -0.16 1.20 -0.31 0.23 0.00 0.00 176.35 177.63 1q8p s TYR 239 N -2.39 3.42 -0.18 0.29 2.02 -1.26 -1.66 117.35 117.58 1q8p s TYR 239 Ca 0.12 1.41 -0.02 0.00 -0.37 0.00 0.00 57.07 58.21 1q8p s TYR 239 Cb -0.03 -3.44 -0.01 0.00 -0.40 0.00 0.00 41.96 38.08 1q8p s TYR 239 CO 0.03 -1.24 -0.10 0.99 -1.57 0.00 0.00 175.55 173.66 1q8p s THR 240 N -0.02 3.09 0.00 -0.71 2.01 -1.24 -4.91 115.64 113.86 1q8p s THR 240 Ca 0.53 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.92 1q8p s THR 240 Cb -0.33 -2.35 0.00 0.00 0.01 0.00 0.00 72.50 69.83 1q8p s THR 240 CO 0.37 0.48 0.00 0.00 -0.69 0.00 0.00 174.62 174.78