#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1a h ASP 2 N 0.00 0.00 -4.30 2.61 3.32 -1.95 -3.42 116.42 112.68 1s1a h ASP 2 Ca 0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 1s1a h ASP 2 Cb 0.00 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 39.29 1s1a h ASP 2 CO 0.00 0.58 -0.80 -0.94 -1.72 0.00 0.00 179.24 176.36 1s1a s SER 3 N -6.74 1.75 -0.16 6.45 1.04 -1.26 -1.48 113.70 113.30 1s1a s SER 3 Ca -0.01 -0.43 -0.14 0.00 0.48 0.00 0.00 55.95 55.86 1s1a s SER 3 Cb 0.12 -0.13 0.04 0.00 0.10 0.00 0.00 66.02 66.15 1s1a s SER 3 CO 0.75 0.07 0.41 -0.22 0.98 0.00 0.00 173.24 175.23 1s1a s LEU 4 N -0.99 0.40 -0.03 2.42 2.96 -0.48 -5.01 118.68 117.95 1s1a s LEU 4 Ca 0.03 0.83 -0.19 0.00 -0.22 0.00 0.00 54.13 54.58 1s1a s LEU 4 Cb -0.07 1.41 0.04 0.00 0.50 0.00 0.00 46.19 48.06 1s1a s LEU 4 CO 0.01 -0.15 0.41 -0.94 -1.32 0.00 0.00 176.35 174.36 1s1a s SER 5 N 0.28 -0.32 0.02 3.68 1.04 -1.26 -0.87 113.70 116.26 1s1a s SER 5 Ca -0.01 0.27 -0.23 0.00 0.48 0.00 0.00 55.95 56.47 1s1a s SER 5 Cb -0.03 0.39 0.05 0.00 0.10 0.00 0.00 66.02 66.53 1s1a s SER 5 CO -0.00 -0.48 0.52 0.72 0.98 0.00 0.00 173.24 174.98 1s1a s PHE 6 N -1.24 -0.43 -0.02 5.02 -0.12 -0.37 -5.00 117.98 115.82 1s1a s PHE 6 Ca -0.13 0.58 0.00 0.00 -0.05 0.00 0.00 56.93 57.34 1s1a s PHE 6 Cb -0.04 0.31 0.02 0.00 -0.63 0.00 0.00 43.02 42.69 1s1a s PHE 6 CO 0.06 -0.59 0.01 0.20 -0.05 0.00 0.00 175.22 174.85 1s1a s GLY 7 N -1.70 0.10 -0.53 1.99 0.00 -1.26 -0.97 107.32 104.96 1s1a s GLY 7 Ca -0.08 0.18 0.03 0.00 0.00 0.00 0.00 44.72 44.86 1s1a s GLY 7 CO 0.02 0.45 0.28 -1.36 0.00 0.00 0.00 173.10 172.49 1s1a s PHE 8 N 0.72 3.20 0.46 1.90 0.40 0.19 -4.93 117.98 119.91 1s1a s PHE 8 Ca -0.06 -3.14 0.16 0.00 -0.60 0.00 0.00 56.93 53.28 1s1a s PHE 8 Cb -0.09 -2.85 1.09 0.00 0.51 0.00 0.00 43.02 41.68 1s1a s PHE 8 CO -0.02 -0.75 2.03 -1.35 0.70 0.00 0.00 175.22 175.83 1s1a h PRO 9 N 6.53 0.00 -3.92 0.24 0.11 -1.91 -1.37 132.00 131.68 1s1a h PRO 9 Ca -0.07 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.86 1s1a h PRO 9 Cb 0.89 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.92 1s1a h PRO 9 CO 0.69 0.15 -0.17 0.95 -0.21 0.00 0.00 178.00 179.41 1s1a s THR 10 N -4.68 0.00 -0.59 -1.15 -4.23 -1.26 -4.56 115.64 99.18 1s1a s THR 10 Ca -0.04 -1.53 0.04 0.00 -1.18 0.00 0.00 61.69 58.98 1s1a s THR 10 Cb 0.16 -2.49 0.16 0.00 1.34 0.00 0.00 72.50 71.66 1s1a s THR 10 CO 0.68 0.00 0.38 -0.36 -0.54 0.00 0.00 174.62 174.79 1s1a s PHE 11 N -3.44 2.94 0.78 3.99 0.08 -0.57 -4.97 117.98 116.79 1s1a s PHE 11 Ca 0.27 -3.04 -0.14 0.00 0.12 0.00 0.00 56.93 54.15 1s1a s PHE 11 Cb -0.00 -2.39 0.07 0.00 -0.57 0.00 0.00 43.02 40.13 1s1a s PHE 11 CO 0.15 -0.66 1.20 -2.14 -0.10 0.00 0.00 175.22 173.67 1s1a s PRO 12 N -0.73 1.81 0.53 0.24 0.02 -1.26 -3.58 135.00 132.03 1s1a s PRO 12 Ca 0.23 1.74 0.20 0.00 0.02 0.00 0.00 61.00 63.19 1s1a s PRO 12 Cb -0.11 -1.80 1.37 0.00 0.02 0.00 0.00 34.50 33.98 1s1a s PRO 12 CO -0.11 -2.08 2.14 1.03 -0.33 0.00 0.00 177.00 177.65 1s1a h SER 13 N -0.72 0.00 -1.70 2.53 0.87 -1.96 -3.36 113.55 109.20 1s1a h SER 13 Ca -0.47 0.00 -0.66 0.00 -1.23 0.00 0.00 61.79 59.43 1s1a h SER 13 Cb 1.29 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.12 1s1a h SER 13 CO 0.47 0.00 1.33 -0.62 -0.53 0.00 0.00 176.83 177.49 1s1a s ASP 14 N -6.76 6.68 -0.02 6.23 2.15 -1.26 -4.98 116.67 118.70 1s1a s ASP 14 Ca -0.05 -2.03 0.02 0.00 0.43 0.00 0.00 52.55 50.92 1s1a s ASP 14 Cb 0.17 -2.48 -0.03 0.00 -0.30 0.00 0.00 42.92 40.27 1s1a s ASP 14 CO 0.66 -1.19 -0.03 -1.10 -0.17 0.00 0.00 175.17 173.34 1s1a s GLN 15 N 3.55 2.72 0.00 4.34 -1.52 -1.26 -5.02 119.66 122.48 1s1a s GLN 15 Ca 0.42 -0.62 0.00 0.00 -1.95 0.00 0.00 55.36 53.21 1s1a s GLN 15 Cb -0.02 -2.62 0.00 0.00 -0.22 0.00 0.00 33.01 30.16 1s1a s GLN 15 CO -0.06 0.63 0.00 1.63 -0.25 0.00 0.00 175.29 177.24 1s1a n LYS 16 N 1.63 2.94 -0.78 2.91 4.76 -1.26 -4.83 118.16 123.54 1s1a n LYS 16 Ca -0.16 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.33 1s1a n LYS 16 Cb 0.53 -0.89 0.33 0.00 -1.84 0.00 0.00 35.03 33.16 1s1a n LYS 16 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1s1a n ASN 17 N -1.62 4.84 -4.43 4.39 3.02 -1.26 -4.95 115.26 115.25 1s1a n ASN 17 Ca 0.00 -3.06 -0.32 0.00 -0.03 0.00 0.00 54.58 51.17 1s1a n ASN 17 Cb 0.35 -0.65 -0.14 0.00 -0.61 0.00 0.00 39.78 38.73 1s1a n ASN 17 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1s1a s LEU 18 N -2.86 2.56 -0.31 3.41 1.43 -1.26 -0.71 118.68 120.93 1s1a s LEU 18 Ca 0.50 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 53.22 1s1a s LEU 18 Cb 0.40 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 45.09 1s1a s LEU 18 CO 0.12 0.33 0.20 -0.63 0.23 0.00 0.00 176.35 176.60 1s1a s ILE 19 N -0.63 5.08 -0.16 -0.59 1.01 0.30 -4.89 121.20 121.32 1s1a s ILE 19 Ca 0.09 -0.16 -0.14 0.00 0.00 0.00 0.00 60.65 60.44 1s1a s ILE 19 Cb -0.11 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 1s1a s ILE 19 CO 0.01 0.09 0.29 -0.36 0.00 0.00 0.00 174.94 174.97 1s1a s PHE 20 N 1.70 3.45 0.05 3.97 0.08 -1.26 -1.68 117.98 124.29 1s1a s PHE 20 Ca 0.06 0.59 0.07 0.00 0.12 0.00 0.00 56.93 57.76 1s1a s PHE 20 Cb -0.17 -2.35 -0.03 0.00 -0.57 0.00 0.00 43.02 39.91 1s1a s PHE 20 CO 0.09 0.23 -0.18 -0.65 -0.10 0.00 0.00 175.22 174.61 1s1a s GLN 21 N 0.51 1.16 5.91 0.44 -0.21 -0.23 -5.01 119.66 122.23 1s1a s GLN 21 Ca 0.16 -0.92 0.00 0.00 0.02 0.00 0.00 55.36 54.62 1s1a s GLN 21 Cb -0.13 -1.27 0.00 0.00 1.00 0.00 0.00 33.01 32.61 1s1a s GLN 21 CO 0.04 0.31 0.00 0.41 -2.12 0.00 0.00 175.29 173.93 1s1a n GLY 22 N 1.69 2.09 0.53 3.09 0.00 -1.26 -1.64 105.19 109.68 1s1a n GLY 22 Ca -0.18 -0.50 0.13 0.00 0.00 0.00 0.00 46.02 45.47 1s1a n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s1a n ASP 23 N 3.42 1.63 -4.73 1.61 8.00 0.27 -4.94 116.55 121.80 1s1a n ASP 23 Ca 0.00 -1.57 -0.42 0.00 0.71 0.00 0.00 54.79 53.51 1s1a n ASP 23 Cb 0.00 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.07 1s1a n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s1a n ALA 24 N 0.28 1.84 -3.49 2.24 0.00 -1.13 -4.49 120.51 115.75 1s1a n ALA 24 Ca 0.18 0.36 -0.10 0.00 0.00 0.00 0.00 53.44 53.88 1s1a n ALA 24 Cb 0.37 -2.34 -0.02 0.00 0.00 0.00 0.00 19.45 17.45 1s1a n ALA 24 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1s1a s GLN 25 N -1.72 0.93 -0.01 0.00 -2.07 -0.83 -4.76 119.66 111.20 1s1a s GLN 25 Ca 0.56 -0.28 -0.23 0.00 -1.82 0.00 0.00 55.36 53.60 1s1a s GLN 25 Cb -0.53 0.43 -0.05 0.00 -1.09 0.00 0.00 33.01 31.77 1s1a s GLN 25 CO 0.61 -0.39 0.68 0.42 -1.32 0.00 0.00 175.29 175.28 1s1a s ILE 26 N -3.01 4.90 -0.16 3.63 -1.09 -1.26 -0.60 121.20 123.60 1s1a s ILE 26 Ca 0.03 1.42 -0.08 0.00 -2.23 0.00 0.00 60.65 59.79 1s1a s ILE 26 Cb -0.01 -4.02 0.06 0.00 -1.58 0.00 0.00 42.46 36.91 1s1a s ILE 26 CO -0.08 0.35 0.37 -0.54 -1.23 0.00 0.00 174.94 173.80 1s1a s LYS 27 N 0.17 0.32 -1.36 2.79 3.01 -0.25 -4.93 119.74 119.50 1s1a s LYS 27 Ca 0.35 0.77 -0.04 0.00 -1.01 0.00 0.00 55.97 56.04 1s1a s LYS 27 Cb -0.19 0.01 0.02 0.00 -1.01 0.00 0.00 37.83 36.66 1s1a s LYS 27 CO 0.19 -0.18 0.80 0.09 0.51 0.00 0.00 175.35 176.76 1s1a n ASN 28 N 4.51 -2.30 -1.74 2.83 3.02 -1.26 -2.30 115.26 118.03 1s1a n ASN 28 Ca -0.20 -0.79 -0.20 0.00 -0.03 0.00 0.00 54.58 53.36 1s1a n ASN 28 Cb 0.53 -4.11 -0.06 0.00 -0.61 0.00 0.00 39.78 35.53 1s1a n ASN 28 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1s1a n ASN 29 N -3.01 -5.44 -4.06 6.41 3.02 -1.26 -4.98 115.26 105.94 1s1a n ASN 29 Ca -0.21 0.33 -0.08 0.00 -0.03 0.00 0.00 54.58 54.59 1s1a n ASN 29 Cb 0.64 -4.61 -0.09 0.00 -0.61 0.00 0.00 39.78 35.10 1s1a n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s1a s ALA 30 N -2.81 0.46 -0.25 5.41 0.00 -0.97 -1.51 121.76 122.09 1s1a s ALA 30 Ca 0.00 -1.17 -0.17 0.00 0.00 0.00 0.00 51.96 50.63 1s1a s ALA 30 Cb 0.00 0.47 -0.03 0.00 0.00 0.00 0.00 23.12 23.56 1s1a s ALA 30 CO 0.00 -0.43 0.45 0.08 0.00 0.00 0.00 175.76 175.85 1s1a s VAL 31 N -3.94 5.13 -0.55 0.00 1.01 -0.24 -1.09 120.40 120.72 1s1a s VAL 31 Ca 0.11 0.75 -0.18 0.00 0.00 0.00 0.00 61.98 62.67 1s1a s VAL 31 Cb 0.07 -3.77 0.10 0.00 0.00 0.00 0.00 36.38 32.79 1s1a s VAL 31 CO -0.07 0.15 0.61 -1.10 0.00 0.00 0.00 175.10 174.69 1s1a s GLN 32 N 1.98 3.03 0.18 2.72 -1.52 0.23 -0.97 119.66 125.31 1s1a s GLN 32 Ca 0.19 -1.38 -0.10 0.00 -1.95 0.00 0.00 55.36 52.13 1s1a s GLN 32 Cb -0.15 -4.24 0.08 0.00 -0.22 0.00 0.00 33.01 28.47 1s1a s GLN 32 CO 0.09 -1.39 1.67 -0.07 -0.25 0.00 0.00 175.29 175.34 1s1a h LEU 33 N 9.52 1.02 -9.70 2.90 3.38 -1.63 -2.21 115.31 118.58 1s1a h LEU 33 Ca -0.29 -0.27 -0.62 0.00 0.09 0.00 0.00 57.88 56.79 1s1a h LEU 33 Cb 1.09 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 41.49 1s1a h LEU 33 CO 1.04 1.03 -0.58 0.42 0.09 0.00 0.00 178.44 180.45 1s1a s THR 34 N -5.17 4.59 0.40 0.22 -4.23 -1.26 -2.86 115.64 107.33 1s1a s THR 34 Ca -0.12 -0.83 -0.27 0.00 -1.18 0.00 0.00 61.69 59.29 1s1a s THR 34 Cb 0.14 -3.25 -0.10 0.00 1.34 0.00 0.00 72.50 70.62 1s1a s THR 34 CO 0.85 0.06 1.46 -0.75 -0.54 0.00 0.00 174.62 175.69 1s1a s LYS 35 N -2.61 4.00 0.04 3.99 2.20 -1.26 -4.79 119.74 121.31 1s1a s LYS 35 Ca 0.30 2.51 0.05 0.00 -0.36 0.00 0.00 55.97 58.47 1s1a s LYS 35 Cb -0.12 -2.88 -0.02 0.00 -1.51 0.00 0.00 37.83 33.30 1s1a s LYS 35 CO 0.23 -0.60 -0.13 0.95 -0.36 0.00 0.00 175.35 175.43 1s1a s THR 36 N -1.15 1.05 0.00 3.43 -4.23 -1.26 -2.98 115.64 110.49 1s1a s THR 36 Ca 0.55 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 1s1a s THR 36 Cb -0.45 -0.96 0.00 0.00 1.34 0.00 0.00 72.50 72.43 1s1a s THR 36 CO 0.61 -0.04 0.00 -0.90 -0.54 0.00 0.00 174.62 173.75 1s1a n ASP 37 N 1.86 -0.34 -0.27 3.99 5.68 0.53 -4.80 116.55 123.19 1s1a n ASP 37 Ca -0.18 -0.68 0.02 0.00 -0.50 0.00 0.00 54.79 53.44 1s1a n ASP 37 Cb 0.55 0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.76 1s1a n ASP 37 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1s1a h SER 38 N -0.34 0.91 0.28 -1.12 4.64 -2.02 -1.22 113.55 114.67 1s1a h SER 38 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1s1a h SER 38 Cb 0.00 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 61.88 1s1a h SER 38 CO 0.00 0.63 0.00 0.59 -0.87 0.00 0.00 176.83 177.18 1s1a n ASN 39 N -4.44 0.00 0.00 4.97 4.13 -1.26 -4.87 115.26 113.79 1s1a n ASN 39 Ca 0.11 -0.53 0.00 0.00 1.68 0.00 0.00 54.58 55.84 1s1a n ASN 39 Cb 0.10 -0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.19 1s1a n ASN 39 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1s1a n GLY 40 N 1.04 0.66 3.83 7.41 0.00 -0.46 -5.05 105.19 112.62 1s1a n GLY 40 Ca 0.18 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1s1a n GLY 40 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s1a s ASN 41 N -2.01 6.91 0.53 1.61 0.02 -1.26 -4.73 114.94 116.02 1s1a s ASN 41 Ca 0.00 1.39 -0.20 0.00 -1.02 0.00 0.00 52.86 53.03 1s1a s ASN 41 Cb 0.00 -2.41 -0.06 0.00 0.02 0.00 0.00 41.25 38.79 1s1a s ASN 41 CO 0.00 -0.13 1.11 -2.16 0.02 0.00 0.00 177.10 175.94 1s1a s PRO 42 N -2.60 3.45 0.21 -0.60 0.04 -1.26 -0.35 135.00 133.90 1s1a s PRO 42 Ca 0.51 1.56 0.07 0.00 0.04 0.00 0.00 61.00 63.18 1s1a s PRO 42 Cb -0.13 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1s1a s PRO 42 CO 0.19 -0.76 -0.13 0.14 0.04 0.00 0.00 177.00 176.48 1s1a s VAL 43 N -1.82 1.68 0.74 -0.36 -7.23 -1.16 -4.83 120.40 107.42 1s1a s VAL 43 Ca 0.72 -2.19 -0.11 0.00 -1.81 0.00 0.00 61.98 58.58 1s1a s VAL 43 Cb -0.22 -2.07 0.04 0.00 0.56 0.00 0.00 36.38 34.69 1s1a s VAL 43 CO 0.25 -0.58 1.11 0.00 -0.31 0.00 0.00 175.10 175.57 1s1a s ALA 44 N -3.01 2.86 -0.90 1.32 0.00 -1.26 -4.57 121.76 116.20 1s1a s ALA 44 Ca 0.23 -0.54 -0.06 0.00 0.00 0.00 0.00 51.96 51.59 1s1a s ALA 44 Cb -0.00 -2.93 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 1s1a s ALA 44 CO 0.07 -1.34 0.74 0.43 0.00 0.00 0.00 175.76 175.66 1s1a n SER 45 N -3.09 -6.51 -3.85 0.00 7.64 -0.66 -5.00 113.62 102.16 1s1a n SER 45 Ca 0.07 -0.56 -0.12 0.00 1.01 0.00 0.00 58.87 59.28 1s1a n SER 45 Cb 0.59 -4.18 -0.11 0.00 -1.01 0.00 0.00 64.21 59.50 1s1a n SER 45 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1s1a s THR 46 N -3.17 0.05 -0.03 0.44 -1.32 -0.77 -5.01 115.64 105.83 1s1a s THR 46 Ca 0.19 -0.42 -0.05 0.00 -1.21 0.00 0.00 61.69 60.20 1s1a s THR 46 Cb -0.05 -0.37 0.01 0.00 -1.51 0.00 0.00 72.50 70.58 1s1a s THR 46 CO 0.80 -0.23 0.12 -0.69 -2.21 0.00 0.00 174.62 172.41 1s1a s VAL 47 N -0.82 0.02 -0.03 5.08 1.01 -1.26 -1.12 120.40 123.29 1s1a s VAL 47 Ca -0.09 -0.17 -0.26 0.00 0.00 0.00 0.00 61.98 61.46 1s1a s VAL 47 Cb -0.05 -0.23 0.06 0.00 0.00 0.00 0.00 36.38 36.15 1s1a s VAL 47 CO 0.01 -0.09 0.57 -0.83 0.00 0.00 0.00 175.10 174.76 1s1a s GLY 48 N -0.27 -0.46 0.07 4.51 0.00 -0.87 -0.57 107.32 109.73 1s1a s GLY 48 Ca -0.03 0.99 -0.11 0.00 0.00 0.00 0.00 44.72 45.57 1s1a s GLY 48 CO 0.00 0.68 0.24 0.50 0.00 0.00 0.00 173.10 174.51 1s1a s ARG 49 N -1.41 0.83 0.05 2.90 0.52 -0.65 -1.65 118.95 119.54 1s1a s ARG 49 Ca -0.11 -0.78 0.03 0.00 -0.52 0.00 0.00 55.73 54.35 1s1a s ARG 49 Cb -0.01 0.35 -0.03 0.00 0.52 0.00 0.00 34.95 35.78 1s1a s ARG 49 CO 0.07 -0.27 -0.09 0.96 0.02 0.00 0.00 175.30 175.99 1s1a s ILE 50 N -3.35 0.63 0.02 1.52 -4.36 7.74 -1.06 121.20 122.33 1s1a s ILE 50 Ca 0.01 -1.13 0.01 0.00 -0.26 0.00 0.00 60.65 59.28 1s1a s ILE 50 Cb 0.02 -0.69 -0.01 0.00 1.25 0.00 0.00 42.46 43.03 1s1a s ILE 50 CO -0.08 -0.37 -0.04 -0.76 0.24 0.00 0.00 174.94 173.93 1s1a s LEU 51 N -1.62 2.16 0.25 0.37 1.43 -0.68 -1.49 118.68 119.10 1s1a s LEU 51 Ca -0.09 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.36 1s1a s LEU 51 Cb -0.10 -0.04 -0.09 0.00 0.03 0.00 0.00 46.19 45.99 1s1a s LEU 51 CO 0.01 -0.16 1.00 0.12 0.23 0.00 0.00 176.35 177.54 1s1a s PHE 52 N -0.96 3.84 0.15 0.29 5.36 -0.66 -0.54 117.98 125.46 1s1a s PHE 52 Ca -0.09 1.84 -0.14 0.00 -0.96 0.00 0.00 56.93 57.58 1s1a s PHE 52 Cb -0.07 -3.09 0.02 0.00 -0.34 0.00 0.00 43.02 39.54 1s1a s PHE 52 CO -0.00 0.09 1.69 0.66 -1.46 0.00 0.00 175.22 176.19 1s1a h SER 53 N 4.05 0.67 -3.51 6.13 4.64 -1.26 -3.43 113.55 120.84 1s1a h SER 53 Ca -0.46 -0.18 -0.52 0.00 -0.47 0.00 0.00 61.79 60.16 1s1a h SER 53 Cb 1.20 -0.17 0.04 0.00 -0.31 0.00 0.00 62.40 63.16 1s1a h SER 53 CO 0.68 0.67 0.66 0.00 -0.87 0.00 0.00 176.83 177.97 1s1a s ALA 54 N -5.50 3.53 0.34 5.18 0.00 -1.26 -4.99 121.76 119.07 1s1a s ALA 54 Ca -0.13 1.17 -0.25 0.00 0.00 0.00 0.00 51.96 52.75 1s1a s ALA 54 Cb 0.11 -3.49 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 1s1a s ALA 54 CO 0.77 -0.58 0.96 -0.65 0.00 0.00 0.00 175.76 176.26 1s1a s GLN 55 N -0.60 4.50 -0.15 0.00 -0.21 -1.26 -4.82 119.66 117.12 1s1a s GLN 55 Ca 0.55 1.32 -0.08 0.00 0.02 0.00 0.00 55.36 57.17 1s1a s GLN 55 Cb -0.38 -2.69 -0.04 0.00 1.00 0.00 0.00 33.01 30.90 1s1a s GLN 55 CO 0.42 0.20 0.12 0.08 -2.12 0.00 0.00 175.29 173.99 1s1a s VAL 56 N -1.70 5.28 -0.71 1.09 1.01 0.74 -4.92 120.40 121.20 1s1a s VAL 56 Ca 0.52 0.13 -0.21 0.00 0.00 0.00 0.00 61.98 62.43 1s1a s VAL 56 Cb -0.18 -3.34 0.10 0.00 0.00 0.00 0.00 36.38 32.96 1s1a s VAL 56 CO 0.23 0.54 0.93 -2.28 0.00 0.00 0.00 175.10 174.52 1s1a s HIS 57 N -0.39 2.88 0.08 5.22 2.46 -1.26 -1.29 115.29 122.99 1s1a s HIS 57 Ca 0.11 -0.88 -0.15 0.00 0.47 0.00 0.00 55.06 54.62 1s1a s HIS 57 Cb -0.12 -4.21 -0.16 0.00 -0.13 0.00 0.00 32.58 27.96 1s1a s HIS 57 CO 0.01 -1.51 1.29 1.25 -2.47 0.00 0.00 174.74 173.31 1s1a h LEU 58 N 10.71 0.83 -7.26 8.88 5.85 -0.97 -3.43 115.31 129.92 1s1a h LEU 58 Ca -0.18 -0.62 -0.04 0.00 0.84 0.00 0.00 57.88 57.87 1s1a h LEU 58 Cb 1.06 -0.25 -0.13 0.00 0.37 0.00 0.00 40.66 41.72 1s1a h LEU 58 CO 1.14 1.32 0.02 -1.66 -0.34 0.00 0.00 178.44 178.91 1s1a s TRP 59 N -3.77 -0.32 -0.21 1.25 1.48 -1.12 0.24 118.94 116.50 1s1a s TRP 59 Ca -0.11 0.06 -0.02 0.00 -1.06 0.00 0.00 56.10 54.97 1s1a s TRP 59 Cb 0.08 0.35 0.06 0.00 -1.16 0.00 0.00 33.47 32.80 1s1a s TRP 59 CO 0.88 -0.74 0.00 -2.00 -4.06 0.00 0.00 176.95 171.03 1s1a s GLU 60 N -3.68 1.01 0.16 3.25 2.12 -0.39 -4.56 118.70 116.60 1s1a s GLU 60 Ca 0.02 -0.61 -0.16 0.00 0.36 0.00 0.00 54.97 54.57 1s1a s GLU 60 Cb 0.01 -2.26 0.08 0.00 0.26 0.00 0.00 34.13 32.22 1s1a s GLU 60 CO -0.12 -0.62 1.71 -0.22 -0.54 0.00 0.00 175.26 175.48 1s1a h LYS 61 N 8.14 0.12 0.00 4.30 3.11 -1.98 -1.65 116.57 128.61 1s1a h LYS 61 Ca -0.17 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.66 1s1a h LYS 61 Cb 1.10 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 32.31 1s1a h LYS 61 CO 0.36 0.08 -0.01 0.66 -2.81 0.00 0.00 179.45 177.73 1s1a h SER 62 N 0.12 0.00 -0.02 4.20 4.64 -1.97 -3.09 113.55 117.43 1s1a h SER 62 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1s1a h SER 62 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1s1a h SER 62 CO -0.28 0.01 0.00 -1.54 -0.87 0.00 0.00 176.83 174.14 1s1a n SER 63 N -3.13 1.37 -2.48 4.97 3.41 -1.00 -5.00 113.62 111.75 1s1a n SER 63 Ca -0.02 -1.24 -0.21 0.00 -0.26 0.00 0.00 58.87 57.14 1s1a n SER 63 Cb 0.16 -0.01 -0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1s1a n SER 63 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1s1a n SER 64 N 0.11 -5.97 -4.75 4.04 7.64 -0.65 -4.91 113.62 109.13 1s1a n SER 64 Ca 0.02 -0.06 -0.30 0.00 1.01 0.00 0.00 58.87 59.54 1s1a n SER 64 Cb 0.10 -4.94 -0.07 0.00 -1.01 0.00 0.00 64.21 58.29 1s1a n SER 64 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1s1a s ARG 65 N -5.14 2.76 0.00 1.43 0.52 -1.16 -3.39 118.95 113.97 1s1a s ARG 65 Ca 0.05 -0.77 0.02 0.00 -0.52 0.00 0.00 55.73 54.51 1s1a s ARG 65 Cb -0.02 -2.65 -0.01 0.00 0.52 0.00 0.00 34.95 32.80 1s1a s ARG 65 CO 0.06 0.55 -0.06 0.08 0.02 0.00 0.00 175.30 175.94 1s1a s VAL 66 N -1.41 0.46 0.35 3.52 1.01 -0.69 -1.27 120.40 122.38 1s1a s VAL 66 Ca 0.28 -0.34 -0.26 0.00 0.00 0.00 0.00 61.98 61.66 1s1a s VAL 66 Cb -0.12 -0.41 -0.09 0.00 0.00 0.00 0.00 36.38 35.76 1s1a s VAL 66 CO 0.21 0.07 1.08 0.00 0.00 0.00 0.00 175.10 176.45 1s1a s ALA 67 N -0.28 3.21 -0.27 5.51 0.00 0.14 -1.90 121.76 128.16 1s1a s ALA 67 Ca 0.01 0.79 -0.10 0.00 0.00 0.00 0.00 51.96 52.66 1s1a s ALA 67 Cb -0.03 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1s1a s ALA 67 CO -0.00 -0.22 0.16 1.21 0.00 0.00 0.00 175.76 176.91 1s1a s ASN 68 N -1.28 5.76 0.10 0.00 3.84 0.10 -4.44 114.94 119.03 1s1a s ASN 68 Ca 0.53 -0.08 0.03 0.00 0.21 0.00 0.00 52.86 53.55 1s1a s ASN 68 Cb -0.26 -2.06 -0.04 0.00 -0.55 0.00 0.00 41.25 38.34 1s1a s ASN 68 CO 0.33 -0.05 -0.09 0.72 -2.79 0.00 0.00 177.10 175.22 1s1a s PHE 69 N 1.72 1.02 -0.01 0.43 -0.12 -1.15 -1.52 117.98 118.35 1s1a s PHE 69 Ca 0.07 -0.72 0.00 0.00 -0.05 0.00 0.00 56.93 56.23 1s1a s PHE 69 Cb -0.16 -0.56 0.01 0.00 -0.63 0.00 0.00 43.02 41.68 1s1a s PHE 69 CO 0.09 -0.03 -0.00 -0.65 -0.05 0.00 0.00 175.22 174.58 1s1a s GLN 70 N -3.08 0.10 -0.12 1.99 -0.21 -0.26 -1.49 119.66 116.59 1s1a s GLN 70 Ca 0.07 0.03 -0.01 0.00 0.02 0.00 0.00 55.36 55.48 1s1a s GLN 70 Cb -0.01 -0.20 0.03 0.00 1.00 0.00 0.00 33.01 33.84 1s1a s GLN 70 CO -0.01 -0.05 -0.06 0.45 -2.12 0.00 0.00 175.29 173.50 1s1a s SER 71 N 0.40 2.28 -0.11 5.90 0.15 0.33 -1.56 113.70 121.09 1s1a s SER 71 Ca -0.03 -0.36 0.01 0.00 0.70 0.00 0.00 55.95 56.26 1s1a s SER 71 Cb -0.06 -0.83 -0.01 0.00 -1.71 0.00 0.00 66.02 63.41 1s1a s SER 71 CO -0.01 -0.14 -0.15 -1.58 1.20 0.00 0.00 173.24 172.56 1s1a s GLN 72 N 1.71 3.17 0.17 5.44 -0.44 -0.17 -0.61 119.66 128.94 1s1a s GLN 72 Ca 0.04 -0.72 -0.18 0.00 -2.50 0.00 0.00 55.36 52.00 1s1a s GLN 72 Cb -0.13 -2.53 0.04 0.00 -1.64 0.00 0.00 33.01 28.75 1s1a s GLN 72 CO -0.08 0.28 0.51 -0.59 0.50 0.00 0.00 175.29 175.91 1s1a s PHE 73 N 0.15 -0.21 0.01 1.67 -0.12 -0.30 -0.60 117.98 118.57 1s1a s PHE 73 Ca -0.08 -0.10 0.03 0.00 -0.05 0.00 0.00 56.93 56.73 1s1a s PHE 73 Cb -0.15 0.39 -0.01 0.00 -0.63 0.00 0.00 43.02 42.62 1s1a s PHE 73 CO 0.05 -0.86 -0.10 -1.54 -0.05 0.00 0.00 175.22 172.73 1s1a s SER 74 N -2.84 1.12 0.16 1.98 1.04 -0.92 -0.26 113.70 113.99 1s1a s SER 74 Ca 0.06 -0.28 -0.10 0.00 0.48 0.00 0.00 55.95 56.12 1s1a s SER 74 Cb -0.00 -0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.03 1s1a s SER 74 CO -0.07 0.04 0.30 0.72 0.98 0.00 0.00 173.24 175.22 1s1a s PHE 75 N -0.51 0.30 0.01 5.02 -0.71 -0.96 -0.68 117.98 120.45 1s1a s PHE 75 Ca 0.01 -0.67 -0.02 0.00 -1.04 0.00 0.00 56.93 55.21 1s1a s PHE 75 Cb -0.05 0.00 -0.01 0.00 -1.21 0.00 0.00 43.02 41.75 1s1a s PHE 75 CO 0.00 -0.72 0.03 -1.54 -1.34 0.00 0.00 175.22 171.65 1s1a s SER 76 N -2.94 0.14 -0.01 1.98 1.04 -0.60 -0.92 113.70 112.37 1s1a s SER 76 Ca 0.15 -0.33 0.08 0.00 0.48 0.00 0.00 55.95 56.32 1s1a s SER 76 Cb 0.03 0.13 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 1s1a s SER 76 CO -0.02 -0.28 -0.25 -0.76 0.98 0.00 0.00 173.24 172.91 1s1a s LEU 77 N -1.24 2.06 -0.03 2.42 1.43 -1.26 -1.78 118.68 120.27 1s1a s LEU 77 Ca -0.14 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.49 1s1a s LEU 77 Cb -0.08 -1.27 0.02 0.00 0.03 0.00 0.00 46.19 44.89 1s1a s LEU 77 CO -0.00 0.30 0.07 -0.75 0.23 0.00 0.00 176.35 176.20 1s1a s LYS 78 N -0.63 0.03 -0.28 1.70 2.47 -1.21 -0.12 119.74 121.70 1s1a s LYS 78 Ca 0.10 0.20 -0.20 0.00 -1.56 0.00 0.00 55.97 54.51 1s1a s LYS 78 Cb -0.10 -0.15 0.09 0.00 -1.46 0.00 0.00 37.83 36.22 1s1a s LYS 78 CO -0.01 -0.12 0.77 0.45 0.16 0.00 0.00 175.35 176.60 1s1a s SER 79 N 0.79 -0.78 0.41 1.43 0.15 -1.26 -0.98 113.70 113.46 1s1a s SER 79 Ca -0.06 1.35 0.28 0.00 0.70 0.00 0.00 55.95 58.22 1s1a s SER 79 Cb -0.09 1.35 1.06 0.00 -1.71 0.00 0.00 66.02 66.63 1s1a s SER 79 CO -0.03 -0.22 1.83 1.55 1.20 0.00 0.00 173.24 177.57 1s1a h PRO 80 N 5.83 0.00 -7.25 5.44 0.13 -1.99 -3.45 132.00 130.71 1s1a h PRO 80 Ca -0.29 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.35 1s1a h PRO 80 Cb 1.19 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.37 1s1a h PRO 80 CO 0.12 0.00 0.39 -0.51 -0.23 0.00 0.00 178.00 177.76 1s1a s LEU 81 N -5.47 3.45 0.36 1.56 1.43 -1.26 -4.98 118.68 113.77 1s1a s LEU 81 Ca 0.04 1.58 0.25 0.00 -1.03 0.00 0.00 54.13 54.97 1s1a s LEU 81 Cb 0.09 -4.50 0.64 0.00 0.03 0.00 0.00 46.19 42.44 1s1a s LEU 81 CO 0.52 -0.84 1.71 0.77 0.23 0.00 0.00 176.35 178.73 1s1a h SER 82 N 0.35 0.00 -2.14 2.29 4.64 -1.97 -3.36 113.55 113.36 1s1a h SER 82 Ca -0.46 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.30 1s1a h SER 82 Cb 1.19 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.87 1s1a h SER 82 CO 0.60 0.00 -0.83 0.59 -0.87 0.00 0.00 176.83 176.32 1s1a n ASN 83 N -2.76 2.66 -4.72 4.97 3.02 -1.26 -5.10 115.26 112.06 1s1a n ASN 83 Ca 0.04 -3.27 -0.41 0.00 -0.03 0.00 0.00 54.58 50.91 1s1a n ASN 83 Cb 0.46 -0.62 0.01 0.00 -0.61 0.00 0.00 39.78 39.01 1s1a n ASN 83 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s1a n GLY 84 N 0.54 0.74 3.16 7.41 0.00 -1.26 -4.58 105.19 111.20 1s1a n GLY 84 Ca 0.27 0.23 -0.09 0.00 0.00 0.00 0.00 46.02 46.44 1s1a n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1a s ALA 85 N -1.16 0.50 -0.04 4.61 0.00 -1.25 -4.30 121.76 120.12 1s1a s ALA 85 Ca 0.59 -1.20 0.10 0.00 0.00 0.00 0.00 51.96 51.44 1s1a s ALA 85 Cb -0.50 0.62 -0.14 0.00 0.00 0.00 0.00 23.12 23.09 1s1a s ALA 85 CO 0.60 -0.47 0.17 -0.25 0.00 0.00 0.00 175.76 175.80 1s1a n ASP 86 N -0.03 2.72 0.00 0.00 8.00 0.63 -2.65 116.55 125.21 1s1a n ASP 86 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1s1a n ASP 86 Cb 0.63 1.25 0.00 0.00 -0.02 0.00 0.00 41.12 42.97 1s1a n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s1a n GLY 87 N 2.08 2.90 3.29 0.44 0.00 -1.23 -2.64 105.19 110.04 1s1a n GLY 87 Ca -0.06 -1.59 -0.24 0.00 0.00 0.00 0.00 46.02 44.14 1s1a n GLY 87 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1s1a s ILE 88 N -1.98 1.74 -0.05 -0.61 2.07 -0.98 -2.97 121.20 118.41 1s1a s ILE 88 Ca 0.00 -1.59 -0.07 0.00 -1.41 0.00 0.00 60.65 57.58 1s1a s ILE 88 Cb 0.00 -1.60 0.01 0.00 0.13 0.00 0.00 42.46 41.01 1s1a s ILE 88 CO 0.00 -0.08 0.18 0.00 -1.91 0.00 0.00 174.94 173.13 1s1a s ALA 89 N -1.26 -0.44 -0.10 1.50 0.00 0.44 -1.05 121.76 120.85 1s1a s ALA 89 Ca 0.08 0.38 -0.15 0.00 0.00 0.00 0.00 51.96 52.26 1s1a s ALA 89 Cb -0.10 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 1s1a s ALA 89 CO 0.05 -0.12 0.38 0.12 0.00 0.00 0.00 175.76 176.19 1s1a s PHE 90 N -0.26 3.56 0.09 0.00 5.36 -0.64 -0.78 117.98 125.32 1s1a s PHE 90 Ca -0.04 0.80 -0.02 0.00 -0.96 0.00 0.00 56.93 56.71 1s1a s PHE 90 Cb -0.03 -2.38 -0.03 0.00 -0.34 0.00 0.00 43.02 40.23 1s1a s PHE 90 CO 0.01 0.34 0.05 -0.59 -1.46 0.00 0.00 175.22 173.57 1s1a s PHE 91 N 0.05 0.60 -0.07 10.12 -0.71 0.02 -0.83 117.98 127.16 1s1a s PHE 91 Ca 0.22 -1.06 0.01 0.00 -1.04 0.00 0.00 56.93 55.06 1s1a s PHE 91 Cb -0.15 -0.36 0.02 0.00 -1.21 0.00 0.00 43.02 41.32 1s1a s PHE 91 CO 0.09 -0.48 -0.09 0.42 -1.34 0.00 0.00 175.22 173.81 1s1a s ILE 92 N -3.97 0.98 0.34 -4.49 1.01 0.06 -1.78 121.20 113.34 1s1a s ILE 92 Ca 0.14 -0.35 -0.07 0.00 0.00 0.00 0.00 60.65 60.37 1s1a s ILE 92 Cb 0.07 -0.94 0.01 0.00 0.01 0.00 0.00 42.46 41.62 1s1a s ILE 92 CO -0.05 0.33 0.55 0.00 0.00 0.00 0.00 174.94 175.77 1s1a s ALA 93 N 0.98 0.25 0.65 9.38 0.00 -0.92 -2.14 121.76 129.95 1s1a s ALA 93 Ca -0.09 -1.23 -0.18 0.00 0.00 0.00 0.00 51.96 50.46 1s1a s ALA 93 Cb -0.15 1.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.99 1s1a s ALA 93 CO 0.00 -0.85 1.27 -2.14 0.00 0.00 0.00 175.76 174.04 1s1a s PRO 94 N -3.05 2.57 0.48 0.00 0.02 -1.26 -1.38 135.00 132.39 1s1a s PRO 94 Ca 0.26 1.99 0.23 0.00 0.02 0.00 0.00 61.00 63.50 1s1a s PRO 94 Cb -0.02 -1.86 1.28 0.00 0.02 0.00 0.00 34.50 33.92 1s1a s PRO 94 CO 0.16 -1.56 1.92 -1.35 -0.33 0.00 0.00 177.00 175.84 1s1a h PRO 95 N 0.50 0.18 -0.61 5.54 0.11 -1.86 -1.98 132.00 133.88 1s1a h PRO 95 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1s1a h PRO 95 Cb 1.33 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1s1a h PRO 95 CO 0.53 0.12 0.00 -0.40 -0.21 0.00 0.00 178.00 178.04 1s1a n ASP 96 N -4.40 3.14 -4.75 -2.05 3.85 -1.26 -4.88 116.55 106.19 1s1a n ASP 96 Ca 0.15 -2.30 -0.42 0.00 -0.71 0.00 0.00 54.79 51.52 1s1a n ASP 96 Cb 0.71 -0.47 -0.01 0.00 -1.35 0.00 0.00 41.12 40.01 1s1a n ASP 96 CO 0.00 0.00 0.00 1.07 -1.01 0.00 0.00 177.20 177.26 1s1a n THR 97 N 0.56 1.47 -4.24 2.12 5.66 -0.74 -5.02 114.28 114.08 1s1a n THR 97 Ca 0.16 -0.37 -0.14 0.00 -3.05 0.00 0.00 64.05 60.65 1s1a n THR 97 Cb 0.61 -1.92 -0.10 0.00 -1.55 0.00 0.00 70.33 67.37 1s1a n THR 97 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1s1a s THR 98 N -0.52 0.41 -0.07 1.09 -4.23 -1.26 -5.09 115.64 105.97 1s1a s THR 98 Ca 0.59 -1.98 -0.30 0.00 -1.18 0.00 0.00 61.69 58.83 1s1a s THR 98 Cb -0.50 -2.35 -0.05 0.00 1.34 0.00 0.00 72.50 70.94 1s1a s THR 98 CO 0.56 -0.23 1.63 -0.63 -0.54 0.00 0.00 174.62 175.40 1s1a s ILE 99 N -3.85 3.64 0.52 2.99 1.01 -1.26 -4.96 121.20 119.29 1s1a s ILE 99 Ca 0.31 0.77 -0.21 0.00 0.00 0.00 0.00 60.65 61.52 1s1a s ILE 99 Cb 0.07 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 1s1a s ILE 99 CO 0.08 -0.08 1.25 -2.84 0.00 0.00 0.00 174.94 173.35 1s1a s PRO 100 N 4.06 3.33 0.16 2.79 0.02 -1.26 -4.93 135.00 139.16 1s1a s PRO 100 Ca 0.72 1.97 -0.32 0.00 0.02 0.00 0.00 61.00 63.40 1s1a s PRO 100 Cb -0.32 -2.24 -0.10 0.00 0.02 0.00 0.00 34.50 31.86 1s1a s PRO 100 CO 0.28 -0.96 1.59 0.45 -0.33 0.00 0.00 177.00 178.03 1s1a s SER 101 N -1.25 6.57 -1.06 2.53 0.15 -1.26 -2.44 113.70 116.94 1s1a s SER 101 Ca 0.70 2.62 0.00 0.00 0.70 0.00 0.00 55.95 59.97 1s1a s SER 101 Cb -0.34 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.38 1s1a s SER 101 CO 0.40 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.61 1s1a n GLY 102 N 3.79 0.28 0.98 9.45 0.00 -1.26 -4.48 105.19 113.95 1s1a n GLY 102 Ca 0.14 -0.42 0.05 0.00 0.00 0.00 0.00 46.02 45.78 1s1a n GLY 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s1a n SER 103 N -0.12 2.78 -3.26 1.61 3.41 -1.02 -4.36 113.62 112.65 1s1a n SER 103 Ca -0.13 -2.27 -0.21 0.00 -0.26 0.00 0.00 58.87 56.00 1s1a n SER 103 Cb 0.54 -0.45 0.18 0.00 -0.26 0.00 0.00 64.21 64.22 1s1a n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s1a n GLY 104 N 0.64 -2.58 7.00 5.00 0.00 -1.26 0.24 105.19 114.23 1s1a n GLY 104 Ca 0.13 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1s1a n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s1a n GLY 105 N -2.57 3.29 0.00 -0.02 0.00 -1.26 -2.14 105.19 102.49 1s1a n GLY 105 Ca 0.11 -0.11 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1s1a n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s1a n GLY 106 N 0.00 -0.61 0.30 -0.02 0.00 -1.26 -1.53 105.19 102.07 1s1a n GLY 106 Ca 0.00 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.15 1s1a n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s1a n LEU 107 N -1.46 0.98 -1.56 0.99 4.77 -0.91 -4.93 117.00 114.88 1s1a n LEU 107 Ca 0.01 -0.29 -0.12 0.00 -0.03 0.00 0.00 56.01 55.58 1s1a n LEU 107 Cb 0.05 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1s1a n LEU 107 CO 0.04 0.17 -0.13 0.18 -1.33 0.00 0.00 177.39 176.32 1s1a n LEU 108 N -0.36 -0.95 -0.38 2.23 4.77 -0.58 -1.18 117.00 120.55 1s1a n LEU 108 Ca 0.18 0.29 -0.05 0.00 -0.03 0.00 0.00 56.01 56.40 1s1a n LEU 108 Cb 0.30 -1.95 -0.02 0.00 -2.33 0.00 0.00 43.42 39.42 1s1a n LEU 108 CO 0.19 -0.55 -0.05 0.61 -1.33 0.00 0.00 177.39 176.26 1s1a n GLY 109 N -0.34 0.72 0.05 -0.72 0.00 0.14 -3.97 105.19 101.08 1s1a n GLY 109 Ca -0.13 -0.34 -0.05 0.00 0.00 0.00 0.00 46.02 45.51 1s1a n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s1a n LEU 110 N -0.57 0.00 -4.28 0.99 4.77 -0.33 -4.47 117.00 113.12 1s1a n LEU 110 Ca -0.05 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.75 1s1a n LEU 110 Cb 0.26 0.26 -0.11 0.00 -2.33 0.00 0.00 43.42 41.50 1s1a n LEU 110 CO 0.08 0.26 -0.44 -0.36 -1.33 0.00 0.00 177.39 175.59 1s1a s PHE 111 N -2.28 1.50 0.12 -1.77 0.40 -1.17 -4.85 117.98 109.93 1s1a s PHE 111 Ca -0.05 -0.60 -0.11 0.00 -0.60 0.00 0.00 56.93 55.57 1s1a s PHE 111 Cb 0.03 -0.75 -0.06 0.00 0.51 0.00 0.00 43.02 42.75 1s1a s PHE 111 CO 0.44 0.21 0.47 0.00 0.70 0.00 0.00 175.22 177.04 1s1a s ALA 112 N -2.63 3.66 0.22 5.36 0.00 -1.26 -4.07 121.76 123.03 1s1a s ALA 112 Ca 0.15 -0.29 -0.08 0.00 0.00 0.00 0.00 51.96 51.74 1s1a s ALA 112 Cb -0.02 -2.37 0.32 0.00 0.00 0.00 0.00 23.12 21.05 1s1a s ALA 112 CO 0.04 0.52 1.74 -1.35 0.00 0.00 0.00 175.76 176.72 1s1a h PRO 113 N 3.47 0.42 -0.32 0.00 0.11 -1.78 0.35 132.00 134.24 1s1a h PRO 113 Ca -0.48 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.66 1s1a h PRO 113 Cb 1.19 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1s1a h PRO 113 CO 0.67 0.28 0.22 0.78 -0.21 0.00 0.00 178.00 179.74 1s1a h GLY 114 N 0.43 0.22 -0.65 -0.55 0.00 -1.94 -3.18 103.07 97.40 1s1a h GLY 114 Ca 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 1s1a h GLY 114 CO -0.33 0.06 -0.31 -1.30 0.00 0.00 0.00 176.54 174.66 1s1a n THR 115 N -4.48 0.91 0.08 4.70 -2.24 -0.99 -4.85 114.28 107.42 1s1a n THR 115 Ca 0.04 -1.17 0.18 0.00 -2.27 0.00 0.00 64.05 60.83 1s1a n THR 115 Cb 0.26 0.17 0.72 0.00 -2.10 0.00 0.00 70.33 69.38 1s1a n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s1a h ALA 116 N 0.08 2.27 -0.12 6.98 0.00 -0.92 -1.79 119.26 125.76 1s1a h ALA 116 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1s1a h ALA 116 Cb 1.23 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1s1a h ALA 116 CO 0.00 -0.52 0.00 1.04 0.00 0.00 0.00 179.25 179.78 1s1a n GLN 117 N -4.20 2.25 -3.41 0.00 6.02 -1.26 -1.31 117.38 115.48 1s1a n GLN 117 Ca 0.07 -2.45 -0.44 0.00 -0.01 0.00 0.00 57.00 54.16 1s1a n GLN 117 Cb 0.50 -1.51 -0.06 0.00 1.02 0.00 0.00 30.24 30.19 1s1a n GLN 117 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1s1a s ASN 118 N -2.08 6.13 0.54 1.08 3.84 -0.67 -4.93 114.94 118.85 1s1a s ASN 118 Ca 0.30 -2.10 0.37 0.00 0.21 0.00 0.00 52.86 51.63 1s1a s ASN 118 Cb 0.24 -2.13 1.96 0.00 -0.55 0.00 0.00 41.25 40.77 1s1a s ASN 118 CO 0.06 -0.72 2.12 0.71 -2.79 0.00 0.00 177.10 176.48 1s1a h THR 119 N 5.66 0.00 -0.00 -5.21 1.35 -1.84 -1.51 112.91 111.36 1s1a h THR 119 Ca -0.16 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1s1a h THR 119 Cb 1.07 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1s1a h THR 119 CO 0.91 0.00 -0.22 -0.24 -0.25 0.00 0.00 175.52 175.71 1s1a n SER 120 N -2.80 0.23 -0.65 5.36 2.88 -1.26 -3.75 113.62 113.62 1s1a n SER 120 Ca -0.02 0.16 0.07 0.00 -1.33 0.00 0.00 58.87 57.74 1s1a n SER 120 Cb 0.07 -0.16 0.12 0.00 -0.75 0.00 0.00 64.21 63.49 1s1a n SER 120 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s1a n ALA 121 N -1.49 2.35 -2.40 -1.46 0.00 -0.57 -5.01 120.51 111.93 1s1a n ALA 121 Ca 0.06 -0.89 -0.18 0.00 0.00 0.00 0.00 53.44 52.43 1s1a n ALA 121 Cb 0.34 -0.49 -0.11 0.00 0.00 0.00 0.00 19.45 19.19 1s1a n ALA 121 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1s1a s ASN 122 N -1.06 2.34 -0.39 0.00 0.01 -1.24 -5.09 114.94 109.52 1s1a s ASN 122 Ca 0.22 -0.93 0.02 0.00 -0.71 0.00 0.00 52.86 51.46 1s1a s ASN 122 Cb 0.13 -0.11 0.15 0.00 0.41 0.00 0.00 41.25 41.83 1s1a s ASN 122 CO 0.18 -0.16 0.27 -1.10 -1.51 0.00 0.00 177.10 174.78 1s1a s GLN 123 N -3.22 0.76 -0.27 -0.60 -0.21 -1.26 -4.81 119.66 110.05 1s1a s GLN 123 Ca 0.17 -1.71 -0.25 0.00 0.02 0.00 0.00 55.36 53.59 1s1a s GLN 123 Cb -0.02 -1.43 0.08 0.00 1.00 0.00 0.00 33.01 32.63 1s1a s GLN 123 CO 0.05 -1.28 0.78 0.54 -2.12 0.00 0.00 175.29 173.26 1s1a s VAL 124 N 0.58 0.00 -0.10 1.09 0.11 -1.26 -4.29 120.40 116.53 1s1a s VAL 124 Ca 0.24 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.32 1s1a s VAL 124 Cb -0.12 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.74 1s1a s VAL 124 CO -0.08 0.00 -0.22 -0.63 -3.33 0.00 0.00 175.10 170.85 1s1a s ILE 125 N 0.40 1.91 0.03 7.04 1.01 -0.91 -1.06 121.20 129.62 1s1a s ILE 125 Ca 0.00 -0.92 -0.07 0.00 0.00 0.00 0.00 60.65 59.66 1s1a s ILE 125 Cb -0.05 -1.67 -0.00 0.00 0.01 0.00 0.00 42.46 40.75 1s1a s ILE 125 CO -0.01 0.52 0.14 0.00 0.00 0.00 0.00 174.94 175.59 1s1a s ALA 126 N 0.50 -0.23 -0.25 9.38 0.00 -0.13 -0.76 121.76 130.27 1s1a s ALA 126 Ca -0.16 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1s1a s ALA 126 Cb -0.17 0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.22 1s1a s ALA 126 CO 0.06 -0.31 -0.09 0.08 0.00 0.00 0.00 175.76 175.50 1s1a s VAL 127 N -2.32 2.56 0.07 0.00 1.01 -0.01 -0.06 120.40 121.64 1s1a s VAL 127 Ca -0.07 -1.24 0.02 0.00 0.00 0.00 0.00 61.98 60.69 1s1a s VAL 127 Cb -0.03 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 1s1a s VAL 127 CO -0.03 0.14 0.09 -1.83 0.00 0.00 0.00 175.10 173.48 1s1a s GLU 128 N 1.24 2.97 -0.43 2.72 -1.05 0.08 -1.61 118.70 122.61 1s1a s GLU 128 Ca -0.03 -0.63 0.03 0.00 -0.15 0.00 0.00 54.97 54.19 1s1a s GLU 128 Cb -0.18 -2.78 0.12 0.00 -0.44 0.00 0.00 34.13 30.85 1s1a s GLU 128 CO -0.05 0.58 0.18 -0.06 0.95 0.00 0.00 175.26 176.86 1s1a s PHE 129 N -1.38 2.92 -0.32 4.83 0.40 -0.21 -0.92 117.98 123.31 1s1a s PHE 129 Ca 0.29 -2.82 -0.14 0.00 -0.60 0.00 0.00 56.93 53.66 1s1a s PHE 129 Cb -0.12 -2.53 -0.02 0.00 0.51 0.00 0.00 43.02 40.85 1s1a s PHE 129 CO 0.22 -0.82 0.32 0.34 0.70 0.00 0.00 175.22 175.98 1s1a s ASP 130 N 0.36 6.15 0.00 1.36 -1.08 -0.44 -2.31 116.67 120.71 1s1a s ASP 130 Ca 0.15 -0.13 0.18 0.00 -0.52 0.00 0.00 52.55 52.23 1s1a s ASP 130 Cb -0.23 -2.18 -0.09 0.00 -1.46 0.00 0.00 42.92 38.96 1s1a s ASP 130 CO -0.05 -0.25 0.86 0.35 0.52 0.00 0.00 175.17 176.60 1s1a n THR 131 N 5.17 0.00 -4.25 1.71 -2.24 -1.08 -1.81 114.28 111.78 1s1a n THR 131 Ca -0.10 -0.20 -0.33 0.00 -2.27 0.00 0.00 64.05 61.14 1s1a n THR 131 Cb 0.50 1.12 -0.16 0.00 -2.10 0.00 0.00 70.33 69.69 1s1a n THR 131 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1s1a s PHE 132 N -2.38 2.76 -0.07 4.78 5.36 -1.24 -4.78 117.98 122.41 1s1a s PHE 132 Ca 0.11 -1.52 0.18 0.00 -0.96 0.00 0.00 56.93 54.74 1s1a s PHE 132 Cb 0.14 -1.91 0.37 0.00 -0.34 0.00 0.00 43.02 41.29 1s1a s PHE 132 CO 0.59 -0.74 1.17 2.48 -1.46 0.00 0.00 175.22 177.25 1s1a n TYR 133 N 4.48 0.00 -1.54 10.12 4.11 -1.26 -4.95 117.16 128.12 1s1a n TYR 133 Ca -0.21 -0.79 -0.51 0.00 -0.00 0.00 0.00 57.90 56.39 1s1a n TYR 133 Cb 0.50 -0.17 -0.07 0.00 -0.00 0.00 0.00 39.34 39.61 1s1a n TYR 133 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1s1a n ALA 134 N -0.19 0.84 0.15 -3.48 0.00 -1.26 -4.77 120.51 111.79 1s1a n ALA 134 Ca 0.10 0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.71 1s1a n ALA 134 Cb 0.92 -2.49 0.49 0.00 0.00 0.00 0.00 19.45 18.37 1s1a n ALA 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1s1a n GLN 135 N 7.44 0.12 0.05 0.00 1.13 -1.26 -0.29 117.38 124.56 1s1a n GLN 135 Ca 0.35 0.61 -0.04 0.00 -1.94 0.00 0.00 57.00 55.98 1s1a n GLN 135 Cb 0.23 -1.93 -0.09 0.00 0.11 0.00 0.00 30.24 28.56 1s1a n GLN 135 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 1s1a h ASP 136 N 0.00 0.00 0.00 1.08 3.04 -1.97 -3.37 116.42 115.20 1s1a h ASP 136 Ca 0.00 0.00 -0.19 0.00 -3.24 0.00 0.00 57.03 53.60 1s1a h ASP 136 Cb 0.09 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.35 1s1a h ASP 136 CO 0.00 0.80 -1.54 -1.54 -2.04 0.00 0.00 179.24 174.92 1s1a n SER 137 N -3.12 0.99 -3.70 4.15 3.41 -0.72 -4.72 113.62 109.91 1s1a n SER 137 Ca -0.07 0.17 -0.41 0.00 -0.26 0.00 0.00 58.87 58.30 1s1a n SER 137 Cb 0.91 -0.40 -0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1s1a n SER 137 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1s1a n ASN 138 N -3.63 6.26 0.22 4.04 5.03 0.60 -4.77 115.26 123.01 1s1a n ASN 138 Ca -0.23 -3.09 0.17 0.00 0.87 0.00 0.00 54.58 52.30 1s1a n ASN 138 Cb 0.62 -1.45 0.84 0.00 -1.02 0.00 0.00 39.78 38.77 1s1a n ASN 138 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1s1a h THR 139 N 3.31 0.50 0.00 3.41 1.35 -1.74 -2.14 112.91 117.60 1s1a h THR 139 Ca 0.53 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.39 1s1a h THR 139 Cb 0.50 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1s1a h THR 139 CO 1.59 0.00 -0.04 4.11 -0.25 0.00 0.00 175.52 180.93 1s1a h TRP 140 N 0.00 0.00 -3.82 4.73 0.09 -1.92 -3.47 115.95 111.56 1s1a h TRP 140 Ca 0.07 0.00 -0.48 0.00 0.09 0.00 0.00 58.89 58.57 1s1a h TRP 140 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.63 1s1a h TRP 140 CO 0.00 0.00 0.17 -0.51 0.09 0.00 0.00 178.44 178.19 1s1a s ASP 141 N -4.64 6.69 0.85 0.11 1.01 -0.81 -4.78 116.67 115.10 1s1a s ASP 141 Ca 0.10 1.32 -0.11 0.00 0.71 0.00 0.00 52.55 54.57 1s1a s ASP 141 Cb 0.12 -2.39 0.10 0.00 1.01 0.00 0.00 42.92 41.75 1s1a s ASP 141 CO 0.61 -0.34 1.09 -2.16 0.21 0.00 0.00 175.17 174.59 1s1a s PRO 142 N -3.44 1.65 -1.36 8.23 0.04 -1.26 -4.91 135.00 133.96 1s1a s PRO 142 Ca 0.55 0.75 -0.07 0.00 0.04 0.00 0.00 61.00 62.27 1s1a s PRO 142 Cb -0.10 -1.86 0.10 0.00 0.04 0.00 0.00 34.50 32.68 1s1a s PRO 142 CO 0.23 -1.95 2.39 -1.71 0.04 0.00 0.00 177.00 176.00 1s1a n ASN 143 N -3.68 7.69 0.00 6.66 5.15 -1.26 -4.84 115.26 124.98 1s1a n ASN 143 Ca 0.07 -3.06 0.00 0.00 -0.60 0.00 0.00 54.58 50.99 1s1a n ASN 143 Cb 0.56 -1.41 0.00 0.00 -0.53 0.00 0.00 39.78 38.40 1s1a n ASN 143 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1s1a n TYR 144 N 2.30 0.00 -1.77 1.20 0.18 -1.26 -5.10 117.16 112.71 1s1a n TYR 144 Ca 0.61 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 60.00 1s1a n TYR 144 Cb 0.26 0.00 0.03 0.00 -0.38 0.00 0.00 39.34 39.25 1s1a n TYR 144 CO 0.00 0.00 0.00 -1.25 -2.08 0.00 0.00 176.86 173.53 1s1a s PRO 145 N -2.00 3.38 0.20 -3.48 0.04 -1.26 -4.86 135.00 127.02 1s1a s PRO 145 Ca 0.00 2.35 -0.19 0.00 0.04 0.00 0.00 61.00 63.20 1s1a s PRO 145 Cb 0.00 -2.45 0.03 0.00 0.04 0.00 0.00 34.50 32.13 1s1a s PRO 145 CO 0.00 -1.04 0.56 -3.38 0.04 0.00 0.00 177.00 173.18 1s1a s HIS 146 N -1.24 -0.19 -0.14 0.56 -3.43 -0.75 -1.82 115.29 108.28 1s1a s HIS 146 Ca 0.67 -0.15 -0.05 0.00 -0.80 0.00 0.00 55.06 54.73 1s1a s HIS 146 Cb -0.43 0.45 -0.03 0.00 -1.43 0.00 0.00 32.58 31.14 1s1a s HIS 146 CO 0.53 -0.94 0.02 0.42 -2.00 0.00 0.00 174.74 172.77 1s1a s ILE 147 N -3.86 4.44 0.06 -5.38 1.01 -0.82 -1.32 121.20 115.33 1s1a s ILE 147 Ca 0.08 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.57 1s1a s ILE 147 Cb -0.02 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 1s1a s ILE 147 CO -0.03 0.52 -0.07 -0.83 0.00 0.00 0.00 174.94 174.53 1s1a s GLY 148 N -0.09 0.59 -0.23 6.18 0.00 -0.09 -1.75 107.32 111.93 1s1a s GLY 148 Ca 0.05 -1.02 -0.06 0.00 0.00 0.00 0.00 44.72 43.69 1s1a s GLY 148 CO 0.02 -1.10 0.02 -0.42 0.00 0.00 0.00 173.10 171.62 1s1a s ILE 149 N -2.47 3.97 -0.19 0.90 1.01 -0.54 -0.74 121.20 123.13 1s1a s ILE 149 Ca -0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 1s1a s ILE 149 Cb -0.03 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.59 1s1a s ILE 149 CO -0.03 0.38 -0.02 -1.81 0.00 0.00 0.00 174.94 173.47 1s1a s ASP 150 N 1.42 4.69 -0.33 3.58 -0.00 0.91 -1.01 116.67 125.94 1s1a s ASP 150 Ca 0.05 -0.23 0.02 0.00 -0.00 0.00 0.00 52.55 52.39 1s1a s ASP 150 Cb -0.15 -1.79 0.10 0.00 -0.00 0.00 0.00 42.92 41.08 1s1a s ASP 150 CO 0.01 0.07 0.07 -0.69 -0.00 0.00 0.00 175.17 174.64 1s1a s VAL 151 N 0.94 1.63 -1.80 -1.27 1.01 -1.26 -0.96 120.40 118.69 1s1a s VAL 151 Ca 0.01 -1.91 0.00 0.00 0.00 0.00 0.00 61.98 60.08 1s1a s VAL 151 Cb -0.14 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.02 1s1a s VAL 151 CO 0.01 -0.64 0.00 0.59 0.00 0.00 0.00 175.10 175.07 1s1a n ASN 152 N 4.53 -5.48 -3.55 3.32 3.02 -0.22 -4.92 115.26 111.96 1s1a n ASN 152 Ca 0.01 0.42 -0.17 0.00 -0.03 0.00 0.00 54.58 54.81 1s1a n ASN 152 Cb 0.42 -4.47 -0.06 0.00 -0.61 0.00 0.00 39.78 35.06 1s1a n ASN 152 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1s1a s SER 153 N -2.67 -0.67 0.29 6.41 0.15 -1.26 -3.59 113.70 112.35 1s1a s SER 153 Ca 0.00 0.89 0.26 0.00 0.70 0.00 0.00 55.95 57.79 1s1a s SER 153 Cb 0.00 0.76 0.89 0.00 -1.71 0.00 0.00 66.02 65.95 1s1a s SER 153 CO 0.00 -0.51 1.76 -0.29 1.20 0.00 0.00 173.24 175.39 1s1a h ILE 154 N 3.23 0.00 -2.35 6.45 6.09 -1.57 -3.38 117.51 125.98 1s1a h ILE 154 Ca -0.27 -0.44 -0.62 0.00 -1.37 0.00 0.00 64.86 62.15 1s1a h ILE 154 Cb 1.15 1.34 -0.14 0.00 0.47 0.00 0.00 36.82 39.64 1s1a h ILE 154 CO 0.30 0.00 0.81 -0.60 -3.07 0.00 0.00 178.15 175.60 1s1a s ARG 155 N -3.25 3.29 0.32 2.19 3.52 -1.26 -4.93 118.95 118.83 1s1a s ARG 155 Ca 0.07 -0.98 -0.27 0.00 -0.13 0.00 0.00 55.73 54.41 1s1a s ARG 155 Cb 0.10 -4.52 -0.13 0.00 -1.56 0.00 0.00 34.95 28.84 1s1a s ARG 155 CO 0.52 -1.91 1.02 0.43 -0.81 0.00 0.00 175.30 174.55 1s1a n SER 156 N 7.87 1.34 0.24 -2.12 7.64 -1.26 -4.81 113.62 122.52 1s1a n SER 156 Ca 0.08 1.15 0.15 0.00 1.01 0.00 0.00 58.87 61.26 1s1a n SER 156 Cb 0.48 -1.31 0.49 0.00 -1.01 0.00 0.00 64.21 62.86 1s1a n SER 156 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1s1a h VAL 157 N 1.91 0.00 -1.67 0.44 -1.51 -1.41 -3.45 116.25 110.57 1s1a h VAL 157 Ca -0.41 -0.64 0.05 0.00 -1.23 0.00 0.00 66.70 64.47 1s1a h VAL 157 Cb 1.34 1.61 -0.25 0.00 -2.13 0.00 0.00 31.29 31.86 1s1a h VAL 157 CO 0.60 0.00 0.39 -0.75 -1.23 0.00 0.00 177.57 176.58 1s1a s LYS 158 N -3.46 0.56 0.10 5.19 2.20 -1.24 -5.03 119.74 118.05 1s1a s LYS 158 Ca 0.04 0.67 0.02 0.00 -0.36 0.00 0.00 55.97 56.34 1s1a s LYS 158 Cb 0.08 0.26 -0.04 0.00 -1.51 0.00 0.00 37.83 36.62 1s1a s LYS 158 CO 0.57 -0.07 -0.07 0.95 -0.36 0.00 0.00 175.35 176.37 1s1a s THR 159 N 0.31 0.71 0.02 3.43 -4.23 -1.26 -1.47 115.64 113.15 1s1a s THR 159 Ca 0.02 -1.86 0.01 0.00 -1.18 0.00 0.00 61.69 58.68 1s1a s THR 159 Cb -0.05 -1.58 -0.02 0.00 1.34 0.00 0.00 72.50 72.19 1s1a s THR 159 CO -0.06 -0.81 -0.04 0.68 -0.54 0.00 0.00 174.62 173.84 1s1a s VAL 160 N -3.37 0.28 0.34 2.29 -7.23 -0.72 -4.99 120.40 107.00 1s1a s VAL 160 Ca 0.10 -0.75 -0.29 0.00 -1.81 0.00 0.00 61.98 59.23 1s1a s VAL 160 Cb 0.04 -0.35 -0.11 0.00 0.56 0.00 0.00 36.38 36.52 1s1a s VAL 160 CO -0.04 -0.31 1.39 -0.75 -0.31 0.00 0.00 175.10 175.08 1s1a s LYS 161 N -1.12 4.25 0.05 4.82 2.20 -1.26 -1.94 119.74 126.73 1s1a s LYS 161 Ca -0.09 2.36 0.02 0.00 -0.36 0.00 0.00 55.97 57.89 1s1a s LYS 161 Cb -0.08 -3.03 -0.03 0.00 -1.51 0.00 0.00 37.83 33.18 1s1a s LYS 161 CO -0.00 -0.34 -0.06 -0.46 -0.36 0.00 0.00 175.35 174.12 1s1a s TRP 162 N -1.05 0.61 -0.20 4.03 -0.00 -0.75 -4.79 118.94 116.79 1s1a s TRP 162 Ca 0.51 -0.59 -0.05 0.00 -0.00 0.00 0.00 56.10 55.97 1s1a s TRP 162 Cb -0.43 -0.38 -0.03 0.00 -0.00 0.00 0.00 33.47 32.64 1s1a s TRP 162 CO 0.56 -0.13 0.01 -0.51 -0.00 0.00 0.00 176.95 176.88 1s1a s ASP 163 N -1.82 4.93 -0.07 5.86 1.11 -1.26 -4.42 116.67 121.00 1s1a s ASP 163 Ca -0.07 -0.17 -0.25 0.00 0.18 0.00 0.00 52.55 52.24 1s1a s ASP 163 Cb -0.07 -1.84 -0.03 0.00 1.07 0.00 0.00 42.92 42.04 1s1a s ASP 163 CO -0.01 0.08 0.77 -0.60 1.18 0.00 0.00 175.17 176.58 1s1a s ARG 164 N 0.93 4.44 -0.25 8.23 3.52 -1.26 -5.03 118.95 129.54 1s1a s ARG 164 Ca 0.02 1.00 0.01 0.00 -0.13 0.00 0.00 55.73 56.62 1s1a s ARG 164 Cb -0.14 -3.46 0.06 0.00 -1.56 0.00 0.00 34.95 29.85 1s1a s ARG 164 CO 0.02 -0.00 -0.05 1.03 -0.81 0.00 0.00 175.30 175.48 1s1a s ARG 165 N 1.00 1.70 0.14 5.12 0.52 -1.26 -5.10 118.95 121.07 1s1a s ARG 165 Ca 0.40 -1.10 -0.33 0.00 -0.52 0.00 0.00 55.73 54.18 1s1a s ARG 165 Cb -0.18 -2.66 -0.13 0.00 0.52 0.00 0.00 34.95 32.50 1s1a s ARG 165 CO 0.19 -0.62 1.67 -3.47 0.02 0.00 0.00 175.30 173.09 1s1a n ASP 166 N 4.61 3.43 0.00 0.23 2.03 -1.26 -2.38 116.55 123.21 1s1a n ASP 166 Ca -0.11 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.25 1s1a n ASP 166 Cb 0.43 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.37 1s1a n ASP 166 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1s1a n GLY 167 N 3.73 0.45 3.73 0.27 0.00 0.82 -5.00 105.19 109.19 1s1a n GLY 167 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1s1a n GLY 167 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s1a s GLN 168 N -0.62 3.45 0.19 1.61 -0.21 -1.00 -4.93 119.66 118.15 1s1a s GLN 168 Ca 0.00 -0.29 -0.30 0.00 0.02 0.00 0.00 55.36 54.79 1s1a s GLN 168 Cb 0.00 -3.06 -0.08 0.00 1.00 0.00 0.00 33.01 30.87 1s1a s GLN 168 CO 0.00 0.59 1.04 -1.12 -2.12 0.00 0.00 175.29 173.68 1s1a s SER 169 N -0.54 7.39 -0.16 5.90 0.01 -1.26 -4.46 113.70 120.58 1s1a s SER 169 Ca 0.11 2.02 -0.03 0.00 1.31 0.00 0.00 55.95 59.36 1s1a s SER 169 Cb -0.12 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.49 1s1a s SER 169 CO 0.02 -0.10 -0.05 -0.22 0.41 0.00 0.00 173.24 173.29 1s1a s LEU 170 N -0.58 3.09 -0.19 2.44 2.96 -0.10 -4.31 118.68 121.99 1s1a s LEU 170 Ca 0.47 -0.21 -0.10 0.00 -0.22 0.00 0.00 54.13 54.06 1s1a s LEU 170 Cb -0.28 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 1s1a s LEU 170 CO 0.34 0.13 0.15 0.20 -1.32 0.00 0.00 176.35 175.86 1s1a s ASN 171 N 0.58 6.26 -0.01 3.68 0.01 -0.33 -2.26 114.94 122.86 1s1a s ASN 171 Ca -0.04 0.29 0.05 0.00 -0.71 0.00 0.00 52.86 52.45 1s1a s ASN 171 Cb -0.15 -2.10 -0.01 0.00 0.41 0.00 0.00 41.25 39.40 1s1a s ASN 171 CO 0.03 0.18 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.95 1s1a s VAL 172 N 0.28 1.28 -0.14 1.60 1.01 0.64 -0.72 120.40 124.36 1s1a s VAL 172 Ca 0.10 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1s1a s VAL 172 Cb -0.11 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1s1a s VAL 172 CO -0.01 0.34 -0.12 -0.22 0.00 0.00 0.00 175.10 175.09 1s1a s LEU 173 N -0.44 1.55 -0.17 3.92 2.96 0.03 -1.15 118.68 125.38 1s1a s LEU 173 Ca 0.06 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 53.51 1s1a s LEU 173 Cb -0.06 -1.08 -0.01 0.00 0.50 0.00 0.00 46.19 45.54 1s1a s LEU 173 CO -0.00 -0.08 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.15 1s1a s VAL 174 N 1.55 3.05 0.08 1.68 1.01 0.22 -1.60 120.40 126.40 1s1a s VAL 174 Ca 0.05 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.44 1s1a s VAL 174 Cb -0.13 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1s1a s VAL 174 CO -0.10 0.49 -0.13 0.42 0.00 0.00 0.00 175.10 175.78 1s1a s THR 175 N 0.83 1.07 -0.07 3.92 -4.23 -0.34 -0.51 115.64 116.31 1s1a s THR 175 Ca -0.04 -1.41 0.01 0.00 -1.18 0.00 0.00 61.69 59.07 1s1a s THR 175 Cb -0.15 -1.16 0.02 0.00 1.34 0.00 0.00 72.50 72.56 1s1a s THR 175 CO 0.01 -0.33 -0.06 0.12 -0.54 0.00 0.00 174.62 173.82 1s1a s PHE 176 N -1.62 1.05 -0.32 3.99 5.36 -0.55 -0.57 117.98 125.32 1s1a s PHE 176 Ca 0.00 -0.39 -0.05 0.00 -0.96 0.00 0.00 56.93 55.54 1s1a s PHE 176 Cb -0.08 -0.90 0.04 0.00 -0.34 0.00 0.00 43.02 41.74 1s1a s PHE 176 CO 0.02 -0.30 0.06 1.21 -1.46 0.00 0.00 175.22 174.74 1s1a s ASN 177 N 1.22 5.10 0.58 6.13 3.84 -0.80 -2.94 114.94 128.07 1s1a s ASN 177 Ca -0.06 -1.12 0.34 0.00 0.21 0.00 0.00 52.86 52.23 1s1a s ASN 177 Cb -0.14 -1.81 1.82 0.00 -0.55 0.00 0.00 41.25 40.57 1s1a s ASN 177 CO -0.02 -0.28 2.19 1.55 -2.79 0.00 0.00 177.10 177.76 1s1a h PRO 178 N 8.14 0.00 -0.24 0.43 0.13 -1.89 0.74 132.00 139.31 1s1a h PRO 178 Ca -0.24 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.72 1s1a h PRO 178 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1s1a h PRO 178 CO 0.58 0.04 -0.50 0.77 -0.23 0.00 0.00 178.00 178.67 1s1a h SER 179 N 0.00 0.86 0.00 1.44 0.02 -1.93 -3.29 113.55 110.65 1s1a h SER 179 Ca -0.00 -0.55 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1s1a h SER 179 Cb 0.18 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1s1a h SER 179 CO 0.01 1.24 -1.17 0.35 -1.14 0.00 0.00 176.83 176.12 1s1a n THR 180 N -4.11 0.00 -1.75 -2.27 -2.24 -1.11 -4.97 114.28 97.84 1s1a n THR 180 Ca -0.05 -0.18 -0.17 0.00 -2.27 0.00 0.00 64.05 61.38 1s1a n THR 180 Cb 0.60 0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 69.49 1s1a n THR 180 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1s1a n ARG 181 N -1.66 -1.24 -3.18 -0.78 1.74 0.26 -4.87 116.66 106.93 1s1a n ARG 181 Ca 0.01 1.02 -0.39 0.00 -0.77 0.00 0.00 57.85 57.72 1s1a n ARG 181 Cb 0.35 -5.31 -0.05 0.00 -1.02 0.00 0.00 32.46 26.43 1s1a n ARG 181 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1s1a s ASN 182 N -2.64 6.80 -0.35 0.55 -0.87 -1.12 -0.84 114.94 116.47 1s1a s ASN 182 Ca 0.00 0.96 -0.10 0.00 -1.57 0.00 0.00 52.86 52.14 1s1a s ASN 182 Cb 0.00 -2.34 0.01 0.00 -0.02 0.00 0.00 41.25 38.90 1s1a s ASN 182 CO 0.00 -0.08 0.19 -0.22 -2.57 0.00 0.00 177.10 174.41 1s1a s LEU 183 N 0.88 4.46 -0.03 0.60 0.20 0.51 -1.91 118.68 123.40 1s1a s LEU 183 Ca 0.31 -0.78 0.01 0.00 0.69 0.00 0.00 54.13 54.36 1s1a s LEU 183 Cb -0.16 -2.02 -0.03 0.00 -0.43 0.00 0.00 46.19 43.55 1s1a s LEU 183 CO 0.13 -0.30 -0.03 -1.81 -0.29 0.00 0.00 176.35 174.05 1s1a s ASP 184 N 1.58 4.95 -0.08 3.68 1.01 0.27 -1.45 116.67 126.64 1s1a s ASP 184 Ca 0.03 -0.01 0.02 0.00 0.71 0.00 0.00 52.55 53.30 1s1a s ASP 184 Cb -0.18 -1.27 0.02 0.00 1.01 0.00 0.00 42.92 42.49 1s1a s ASP 184 CO 0.07 0.31 -0.12 -0.69 0.21 0.00 0.00 175.17 174.95 1s1a s VAL 185 N -0.98 1.14 -0.08 -1.27 1.01 0.01 -1.20 120.40 119.02 1s1a s VAL 185 Ca 0.17 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1s1a s VAL 185 Cb -0.11 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.23 1s1a s VAL 185 CO 0.07 0.36 -0.07 -0.69 0.00 0.00 0.00 175.10 174.77 1s1a s VAL 186 N 0.84 0.85 -0.00 2.92 1.01 -0.63 -1.75 120.40 123.66 1s1a s VAL 186 Ca -0.11 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.68 1s1a s VAL 186 Cb -0.15 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 1s1a s VAL 186 CO 0.02 0.32 -0.16 0.00 0.00 0.00 0.00 175.10 175.28 1s1a s ALA 187 N 1.35 1.33 0.01 5.51 0.00 -0.23 -0.79 121.76 128.93 1s1a s ALA 187 Ca -0.03 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 1s1a s ALA 187 Cb -0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 1s1a s ALA 187 CO -0.03 0.31 0.01 0.95 0.00 0.00 0.00 175.76 177.00 1s1a s THR 188 N -0.46 0.09 0.36 0.00 -4.23 0.11 -0.83 115.64 110.68 1s1a s THR 188 Ca 0.06 -0.77 0.06 0.00 -1.18 0.00 0.00 61.69 59.85 1s1a s THR 188 Cb -0.06 -0.28 -0.01 0.00 1.34 0.00 0.00 72.50 73.49 1s1a s THR 188 CO -0.00 -0.43 0.50 -0.31 -0.54 0.00 0.00 174.62 173.84 1s1a s TYR 189 N -1.30 3.07 -0.49 3.99 1.51 -0.56 -1.19 117.35 122.38 1s1a s TYR 189 Ca -0.14 -0.21 0.17 0.00 -1.01 0.00 0.00 57.07 55.88 1s1a s TYR 189 Cb -0.09 -2.08 0.85 0.00 -0.11 0.00 0.00 41.96 40.53 1s1a s TYR 189 CO -0.00 -0.11 1.52 -1.13 -1.11 0.00 0.00 175.55 174.73 1s1a n SER 190 N -1.71 0.43 -0.84 2.29 3.41 -1.26 -1.71 113.62 114.23 1s1a n SER 190 Ca 0.01 0.67 0.10 0.00 -0.26 0.00 0.00 58.87 59.39 1s1a n SER 190 Cb 0.58 -0.73 0.28 0.00 -0.26 0.00 0.00 64.21 64.08 1s1a n SER 190 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1s1a n ASP 191 N -2.04 2.48 0.00 4.04 5.75 -1.26 -4.92 116.55 120.61 1s1a n ASP 191 Ca 0.00 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 1s1a n ASP 191 Cb 0.09 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 1s1a n ASP 191 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s1a n GLY 192 N 1.29 0.58 3.71 6.12 0.00 -0.69 -5.04 105.19 111.16 1s1a n GLY 192 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1s1a n GLY 192 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s1a s THR 193 N -2.24 2.36 0.05 2.61 2.01 -1.26 -4.81 115.64 114.36 1s1a s THR 193 Ca 0.00 0.14 0.08 0.00 0.31 0.00 0.00 61.69 62.22 1s1a s THR 193 Cb 0.00 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 1s1a s THR 193 CO 0.00 0.01 -0.22 -0.60 -0.69 0.00 0.00 174.62 173.11 1s1a s ARG 194 N 1.75 1.47 -0.02 4.92 3.52 -1.26 -1.49 118.95 127.84 1s1a s ARG 194 Ca 0.76 -1.03 0.03 0.00 -0.13 0.00 0.00 55.73 55.36 1s1a s ARG 194 Cb -0.47 -1.63 -0.00 0.00 -1.56 0.00 0.00 34.95 31.29 1s1a s ARG 194 CO 0.33 0.41 -0.10 0.71 -0.81 0.00 0.00 175.30 175.84 1s1a s TYR 195 N -0.85 1.01 0.00 5.12 1.51 -0.01 -5.00 117.35 119.14 1s1a s TYR 195 Ca 0.09 -0.23 0.01 0.00 -1.01 0.00 0.00 57.07 55.92 1s1a s TYR 195 Cb -0.09 -0.69 -0.00 0.00 -0.11 0.00 0.00 41.96 41.06 1s1a s TYR 195 CO 0.02 -0.07 -0.03 -1.21 -1.11 0.00 0.00 175.55 173.15 1s1a s GLU 196 N 0.02 0.24 -0.19 -0.62 2.02 -1.26 -1.07 118.70 117.83 1s1a s GLU 196 Ca -0.00 -0.16 -0.17 0.00 0.02 0.00 0.00 54.97 54.65 1s1a s GLU 196 Cb -0.07 -0.20 0.05 0.00 0.10 0.00 0.00 34.13 34.01 1s1a s GLU 196 CO 0.00 0.05 0.51 0.54 0.02 0.00 0.00 175.26 176.39 1s1a s VAL 197 N -0.21 -0.00 0.07 2.63 0.11 -0.71 -4.98 120.40 117.31 1s1a s VAL 197 Ca -0.00 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 1s1a s VAL 197 Cb -0.02 -0.72 -0.03 0.00 -1.53 0.00 0.00 36.38 34.08 1s1a s VAL 197 CO -0.00 0.00 -0.09 -0.55 -3.33 0.00 0.00 175.10 171.14 1s1a s SER 198 N 0.37 1.14 -0.16 3.54 0.15 -1.26 -0.81 113.70 116.66 1s1a s SER 198 Ca -0.01 -0.73 -0.15 0.00 0.70 0.00 0.00 55.95 55.77 1s1a s SER 198 Cb -0.04 0.04 0.04 0.00 -1.71 0.00 0.00 66.02 64.35 1s1a s SER 198 CO -0.01 -0.27 0.43 -0.47 1.20 0.00 0.00 173.24 174.12 1s1a s TYR 199 N -2.17 -0.48 -0.23 3.44 6.14 -0.53 -4.97 117.35 118.54 1s1a s TYR 199 Ca -0.00 1.16 -0.17 0.00 0.64 0.00 0.00 57.07 58.70 1s1a s TYR 199 Cb -0.05 0.17 -0.03 0.00 0.42 0.00 0.00 41.96 42.47 1s1a s TYR 199 CO -0.01 -0.23 0.48 -2.00 0.64 0.00 0.00 175.55 174.42 1s1a s GLU 200 N 0.29 4.12 -0.12 4.97 2.12 -1.26 -0.36 118.70 128.46 1s1a s GLU 200 Ca -0.01 0.29 -0.10 0.00 0.36 0.00 0.00 54.97 55.52 1s1a s GLU 200 Cb -0.03 -3.61 0.03 0.00 0.26 0.00 0.00 34.13 30.79 1s1a s GLU 200 CO -0.00 -0.23 0.31 0.54 -0.54 0.00 0.00 175.26 175.34 1s1a s VAL 201 N 1.90 -0.01 -0.60 3.70 0.11 -0.02 -5.00 120.40 120.49 1s1a s VAL 201 Ca 0.21 0.03 -0.20 0.00 -2.93 0.00 0.00 61.98 59.08 1s1a s VAL 201 Cb -0.15 -0.44 0.08 0.00 -1.53 0.00 0.00 36.38 34.34 1s1a s VAL 201 CO 0.09 0.01 0.80 -0.62 -3.33 0.00 0.00 175.10 172.05 1s1a s ASP 202 N 0.40 6.19 0.62 3.54 -1.08 -1.26 -4.72 116.67 120.36 1s1a s ASP 202 Ca -0.02 -1.16 0.34 0.00 -0.52 0.00 0.00 52.55 51.19 1s1a s ASP 202 Cb -0.04 -2.35 1.96 0.00 -1.46 0.00 0.00 42.92 41.04 1s1a s ASP 202 CO -0.02 -1.21 2.23 -0.37 0.52 0.00 0.00 175.17 176.32 1s1a h VAL 203 N 5.94 0.31 0.00 1.11 -1.51 -1.97 -2.09 116.25 118.04 1s1a h VAL 203 Ca -0.29 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.15 1s1a h VAL 203 Cb 1.08 0.93 -0.00 0.00 -2.13 0.00 0.00 31.29 31.17 1s1a h VAL 203 CO 1.11 0.00 -0.14 0.03 -1.23 0.00 0.00 177.57 177.34 1s1a h ARG 204 N 0.00 0.00 -0.01 5.19 3.08 -1.91 -0.75 114.38 119.98 1s1a h ARG 204 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1s1a h ARG 204 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1s1a h ARG 204 CO -0.00 0.14 -0.26 -1.13 -1.07 0.00 0.00 179.97 177.66 1s1a n SER 205 N -3.65 1.42 -0.04 7.04 3.41 -0.79 -4.41 113.62 116.61 1s1a n SER 205 Ca -0.02 -1.18 -0.05 0.00 -0.26 0.00 0.00 58.87 57.37 1s1a n SER 205 Cb 0.27 0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 1s1a n SER 205 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1s1a n VAL 206 N -0.29 0.43 -4.39 -3.33 0.31 -0.88 -5.08 118.33 105.10 1s1a n VAL 206 Ca 0.13 -0.19 -0.24 0.00 -0.01 0.00 0.00 64.34 64.03 1s1a n VAL 206 Cb 0.39 -0.78 -0.11 0.00 -0.91 0.00 0.00 33.84 32.42 1s1a n VAL 206 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1s1a s LEU 207 N -5.20 2.47 0.98 7.52 1.43 -0.34 -4.56 118.68 120.98 1s1a s LEU 207 Ca -0.08 -0.90 -0.12 0.00 -1.03 0.00 0.00 54.13 51.99 1s1a s LEU 207 Cb 0.02 -0.99 0.18 0.00 0.03 0.00 0.00 46.19 45.43 1s1a s LEU 207 CO 0.19 0.03 1.10 -2.16 0.23 0.00 0.00 176.35 175.74 1s1a s PRO 208 N -2.92 0.55 0.23 1.29 0.04 -1.26 -4.63 135.00 128.31 1s1a s PRO 208 Ca 0.20 0.46 -0.08 0.00 0.04 0.00 0.00 61.00 61.62 1s1a s PRO 208 Cb -0.06 -1.76 0.23 0.00 0.04 0.00 0.00 34.50 32.96 1s1a s PRO 208 CO 0.09 -2.63 1.88 0.93 0.04 0.00 0.00 177.00 177.31 1s1a h GLU 209 N -1.82 1.02 -5.79 4.56 5.08 -1.96 -3.42 114.58 112.26 1s1a h GLU 209 Ca -0.54 -0.06 -0.67 0.00 -1.00 0.00 0.00 59.36 57.09 1s1a h GLU 209 Cb 1.33 -0.23 -0.20 0.00 0.50 0.00 0.00 28.75 30.16 1s1a h GLU 209 CO 0.59 0.67 -0.68 -1.58 -1.00 0.00 0.00 179.01 177.01 1s1a s TRP 210 N -6.11 2.99 0.27 4.33 0.52 -1.26 -0.32 118.94 119.36 1s1a s TRP 210 Ca -0.13 -0.10 0.02 0.00 0.02 0.00 0.00 56.10 55.91 1s1a s TRP 210 Cb 0.17 -1.81 -0.03 0.00 -1.15 0.00 0.00 33.47 30.64 1s1a s TRP 210 CO 0.79 0.20 0.24 0.14 0.02 0.00 0.00 176.95 178.34 1s1a s VAL 211 N -0.36 0.00 0.11 4.03 -7.23 -0.41 -4.35 120.40 112.19 1s1a s VAL 211 Ca 0.06 -1.93 0.09 0.00 -1.81 0.00 0.00 61.98 58.38 1s1a s VAL 211 Cb -0.12 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1s1a s VAL 211 CO 0.02 0.00 -0.23 -0.13 -0.31 0.00 0.00 175.10 174.45 1s1a s ARG 212 N -3.76 1.24 0.15 4.82 0.52 -0.48 -0.19 118.95 121.25 1s1a s ARG 212 Ca 0.38 -1.23 0.11 0.00 -0.52 0.00 0.00 55.73 54.47 1s1a s ARG 212 Cb 0.04 -1.59 -0.04 0.00 0.52 0.00 0.00 34.95 33.88 1s1a s ARG 212 CO 0.19 0.37 -0.24 0.14 0.02 0.00 0.00 175.30 175.78 1s1a s VAL 213 N -1.12 2.40 0.00 3.52 -7.23 -1.26 -2.17 120.40 114.54 1s1a s VAL 213 Ca 0.09 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 1s1a s VAL 213 Cb -0.10 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.74 1s1a s VAL 213 CO 0.05 0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 1s1a n GLY 214 N 0.68 0.94 3.17 2.32 0.00 -0.74 -1.65 105.19 109.91 1s1a n GLY 214 Ca -0.16 -0.63 -0.15 0.00 0.00 0.00 0.00 46.02 45.08 1s1a n GLY 214 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s1a s PHE 215 N -2.17 1.08 0.01 1.61 0.40 -0.56 -0.80 117.98 117.55 1s1a s PHE 215 Ca 0.00 -0.61 -0.03 0.00 -0.60 0.00 0.00 56.93 55.69 1s1a s PHE 215 Cb 0.00 -0.59 -0.01 0.00 0.51 0.00 0.00 43.02 42.93 1s1a s PHE 215 CO 0.00 0.01 0.04 0.45 0.70 0.00 0.00 175.22 176.43 1s1a s SER 216 N -2.27 0.13 0.11 1.36 0.15 0.04 -1.40 113.70 111.81 1s1a s SER 216 Ca 0.03 -0.32 -0.17 0.00 0.70 0.00 0.00 55.95 56.19 1s1a s SER 216 Cb -0.05 0.14 0.04 0.00 -1.71 0.00 0.00 66.02 64.45 1s1a s SER 216 CO 0.01 -0.30 0.43 0.00 1.20 0.00 0.00 173.24 174.58 1s1a s ALA 217 N -1.27 -1.03 0.17 5.45 0.00 -0.66 -0.42 121.76 124.01 1s1a s ALA 217 Ca -0.14 0.11 -0.20 0.00 0.00 0.00 0.00 51.96 51.74 1s1a s ALA 217 Cb -0.08 0.61 0.05 0.00 0.00 0.00 0.00 23.12 23.70 1s1a s ALA 217 CO 0.00 -0.60 0.54 0.00 0.00 0.00 0.00 175.76 175.69 1s1a s ALA 218 N -3.43 -1.23 -0.06 0.00 0.00 -1.16 -2.06 121.76 113.82 1s1a s ALA 218 Ca 0.01 0.11 -0.03 0.00 0.00 0.00 0.00 51.96 52.05 1s1a s ALA 218 Cb 0.01 0.83 0.04 0.00 0.00 0.00 0.00 23.12 24.00 1s1a s ALA 218 CO -0.09 -0.77 0.13 -1.12 0.00 0.00 0.00 175.76 173.91 1s1a s SER 219 N -2.81 -0.06 0.00 0.00 0.01 -0.27 -0.27 113.70 110.29 1s1a s SER 219 Ca 0.04 0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.58 1s1a s SER 219 Cb -0.01 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.39 1s1a s SER 219 CO -0.09 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.02 1s1a n GLY 220 N 4.24 0.48 0.29 3.44 0.00 -1.26 -1.85 105.19 110.53 1s1a n GLY 220 Ca -0.26 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 1s1a n GLY 220 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1s1a h GLU 221 N 0.00 0.90 -6.27 1.61 4.11 -1.97 -1.76 114.58 111.20 1s1a h GLU 221 Ca 0.00 -0.29 -0.54 0.00 0.07 0.00 0.00 59.36 58.60 1s1a h GLU 221 Cb 0.00 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1s1a h GLU 221 CO 0.00 0.93 -0.29 -0.65 0.07 0.00 0.00 179.01 179.07 1s1a s GLN 222 N -4.91 3.56 0.17 1.06 1.11 -1.26 -4.83 119.66 114.56 1s1a s GLN 222 Ca -0.10 -0.22 -0.09 0.00 0.01 0.00 0.00 55.36 54.96 1s1a s GLN 222 Cb 0.14 -2.80 -0.01 0.00 -1.01 0.00 0.00 33.01 29.33 1s1a s GLN 222 CO 0.84 0.37 0.28 1.52 0.01 0.00 0.00 175.29 178.31 1s1a s TYR 223 N -1.88 0.42 -0.07 0.91 1.13 -1.25 -4.24 117.35 112.38 1s1a s TYR 223 Ca 0.40 -0.79 -0.30 0.00 -1.41 0.00 0.00 57.07 54.97 1s1a s TYR 223 Cb -0.11 -0.07 0.11 0.00 -1.10 0.00 0.00 41.96 40.79 1s1a s TYR 223 CO 0.28 -0.72 0.96 1.14 -2.51 0.00 0.00 175.55 174.71 1s1a s GLN 224 N -3.97 0.69 0.48 -3.49 -2.07 -1.08 -3.89 119.66 106.33 1s1a s GLN 224 Ca 0.18 -0.18 -0.19 0.00 -1.82 0.00 0.00 55.36 53.35 1s1a s GLN 224 Cb 0.03 0.32 -0.09 0.00 -1.09 0.00 0.00 33.01 32.18 1s1a s GLN 224 CO 0.00 -0.29 0.98 0.95 -1.32 0.00 0.00 175.29 175.61 1s1a s THR 225 N -2.61 4.39 -0.39 3.63 -4.23 -0.15 -4.87 115.64 111.42 1s1a s THR 225 Ca 0.04 1.32 0.01 0.00 -1.18 0.00 0.00 61.69 61.88 1s1a s THR 225 Cb -0.01 -3.64 0.12 0.00 1.34 0.00 0.00 72.50 70.32 1s1a s THR 225 CO -0.06 -0.49 0.18 -1.00 -0.54 0.00 0.00 174.62 172.71 1s1a s HIS 226 N -2.38 1.99 -0.35 3.99 0.09 -1.26 -3.32 115.29 114.05 1s1a s HIS 226 Ca 0.61 -2.23 -0.12 0.00 -0.00 0.00 0.00 55.06 53.32 1s1a s HIS 226 Cb -0.10 -1.89 0.00 0.00 -0.00 0.00 0.00 32.58 30.59 1s1a s HIS 226 CO 0.23 -0.83 0.21 0.99 -0.00 0.00 0.00 174.74 175.34 1s1a s THR 227 N 0.81 4.86 -0.29 1.30 2.01 -0.73 -1.87 115.64 121.72 1s1a s THR 227 Ca 0.15 -0.54 -0.23 0.00 0.31 0.00 0.00 61.69 61.38 1s1a s THR 227 Cb -0.22 -3.58 -0.00 0.00 0.01 0.00 0.00 72.50 68.70 1s1a s THR 227 CO -0.08 -0.10 0.75 -0.22 -0.69 0.00 0.00 174.62 174.28 1s1a s LEU 228 N 1.63 4.09 -0.14 4.42 2.96 -0.15 -1.56 118.68 129.93 1s1a s LEU 228 Ca 0.04 0.68 0.10 0.00 -0.22 0.00 0.00 54.13 54.73 1s1a s LEU 228 Cb -0.18 -3.02 -0.23 0.00 0.50 0.00 0.00 46.19 43.26 1s1a s LEU 228 CO 0.08 -0.55 0.29 -0.62 -1.32 0.00 0.00 176.35 174.23 1s1a n GLU 229 N 6.06 0.67 -3.50 1.98 1.02 0.14 -1.07 120.64 125.95 1s1a n GLU 229 Ca 0.03 0.17 -0.13 0.00 -0.02 0.00 0.00 57.16 57.20 1s1a n GLU 229 Cb 0.48 -1.65 -0.04 0.00 -0.02 0.00 0.00 31.44 30.22 1s1a n GLU 229 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1s1a s SER 230 N -6.09 -0.51 -0.28 1.62 1.04 -1.19 -4.31 113.70 103.98 1s1a s SER 230 Ca -0.14 0.11 -0.16 0.00 0.48 0.00 0.00 55.95 56.24 1s1a s SER 230 Cb 0.07 0.55 0.10 0.00 0.10 0.00 0.00 66.02 66.84 1s1a s SER 230 CO 0.79 -0.84 0.75 0.86 0.98 0.00 0.00 173.24 175.78 1s1a s TRP 231 N -3.08 -0.96 0.02 5.02 -0.00 -0.52 -2.16 118.94 117.26 1s1a s TRP 231 Ca -0.02 1.91 0.03 0.00 -0.00 0.00 0.00 56.10 58.03 1s1a s TRP 231 Cb -0.00 0.57 -0.01 0.00 -0.00 0.00 0.00 33.47 34.03 1s1a s TRP 231 CO -0.07 -0.48 -0.11 -1.54 -0.00 0.00 0.00 176.95 174.76 1s1a s SER 232 N 1.59 1.25 -0.02 5.86 1.04 0.23 0.52 113.70 124.18 1s1a s SER 232 Ca -0.10 -0.32 -0.04 0.00 0.48 0.00 0.00 55.95 55.97 1s1a s SER 232 Cb -0.05 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1s1a s SER 232 CO -0.19 0.04 0.10 0.12 0.98 0.00 0.00 173.24 174.30 1s1a s PHE 233 N -0.60 -0.02 -0.07 5.02 2.19 -0.14 -1.00 117.98 123.37 1s1a s PHE 233 Ca 0.01 0.05 -0.10 0.00 0.33 0.00 0.00 56.93 57.22 1s1a s PHE 233 Cb -0.06 -0.02 0.02 0.00 -1.31 0.00 0.00 43.02 41.65 1s1a s PHE 233 CO 0.00 -0.15 0.26 -0.08 1.83 0.00 0.00 175.22 177.08 1s1a s THR 234 N -0.61 0.02 -0.10 0.12 -1.32 -0.60 -1.24 115.64 111.92 1s1a s THR 234 Ca -0.07 -0.18 -0.10 0.00 -1.21 0.00 0.00 61.69 60.13 1s1a s THR 234 Cb -0.04 -0.43 0.03 0.00 -1.51 0.00 0.00 72.50 70.54 1s1a s THR 234 CO 0.00 -0.10 0.28 -0.55 -2.21 0.00 0.00 174.62 172.04 1s1a s SER 235 N -0.34 -0.28 -0.11 8.08 0.15 -0.05 -1.11 113.70 120.04 1s1a s SER 235 Ca -0.05 0.52 -0.06 0.00 0.70 0.00 0.00 55.95 57.06 1s1a s SER 235 Cb -0.03 0.55 0.04 0.00 -1.71 0.00 0.00 66.02 64.87 1s1a s SER 235 CO 0.01 -0.13 0.25 -0.89 1.20 0.00 0.00 173.24 173.69 1s1a s THR 236 N 0.02 -0.03 0.09 6.45 2.01 -0.57 -1.39 115.64 122.21 1s1a s THR 236 Ca -0.01 0.13 -0.31 0.00 0.31 0.00 0.00 61.69 61.81 1s1a s THR 236 Cb -0.02 -0.39 -0.06 0.00 0.01 0.00 0.00 72.50 72.04 1s1a s THR 236 CO 0.01 0.05 1.21 -0.76 -0.69 0.00 0.00 174.62 174.44 1s1a s LEU 237 N 1.13 4.39 0.14 4.42 1.43 -0.55 -0.72 118.68 128.91 1s1a s LEU 237 Ca -0.08 2.08 0.07 0.00 -1.03 0.00 0.00 54.13 55.17 1s1a s LEU 237 Cb -0.09 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 1s1a s LEU 237 CO -0.08 -0.47 -0.15 -0.76 0.23 0.00 0.00 176.35 175.12 1s1a s LEU 238 N 0.84 2.42 0.18 1.79 1.43 -0.80 -4.94 118.68 119.60 1s1a s LEU 238 Ca 0.58 -0.84 -0.30 0.00 -1.03 0.00 0.00 54.13 52.54 1s1a s LEU 238 Cb -0.31 -0.64 -0.08 0.00 0.03 0.00 0.00 46.19 45.20 1s1a s LEU 238 CO 0.30 -0.12 1.00 -0.72 0.23 0.00 0.00 176.35 177.05 1s1a s TYR 239 N -2.17 3.80 -0.02 0.29 -0.85 -1.26 -1.70 117.35 115.43 1s1a s TYR 239 Ca 0.12 1.78 0.07 0.00 -0.52 0.00 0.00 57.07 58.52 1s1a s TYR 239 Cb -0.05 -3.10 -0.02 0.00 0.38 0.00 0.00 41.96 39.17 1s1a s TYR 239 CO 0.04 0.03 -0.23 0.99 -1.52 0.00 0.00 175.55 174.86 1s1a s THR 240 N -0.51 1.81 0.00 -3.49 2.01 -1.22 -4.94 115.64 109.30 1s1a s THR 240 Ca 0.45 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.48 1s1a s THR 240 Cb -0.26 -1.51 0.00 0.00 0.01 0.00 0.00 72.50 70.74 1s1a s THR 240 CO 0.33 0.51 0.00 0.00 -0.69 0.00 0.00 174.62 174.77