#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ipv s GLU 2 N 0.00 3.90 0.04 0.00 0.41 0.02 -4.94 118.70 118.12 3ipv s GLU 2 Ca 0.00 -0.35 0.05 0.00 -0.41 0.00 0.00 54.97 54.26 3ipv s GLU 2 Cb 0.00 -3.53 -0.02 0.00 -1.78 0.00 0.00 34.13 28.80 3ipv s GLU 2 CO 0.00 -0.11 -0.14 -1.21 -0.49 0.00 0.00 175.26 173.30 3ipv s GLU 3 N 1.52 0.96 -0.04 1.61 2.02 -1.26 -1.21 118.70 122.30 3ipv s GLU 3 Ca 0.07 -0.75 -0.01 0.00 0.02 0.00 0.00 54.97 54.29 3ipv s GLU 3 Cb -0.15 -0.97 0.03 0.00 0.10 0.00 0.00 34.13 33.14 3ipv s GLU 3 CO 0.07 0.24 0.08 0.99 0.02 0.00 0.00 175.26 176.67 3ipv s THR 4 N -0.82 -0.06 0.04 3.63 2.01 -1.19 -4.99 115.64 114.25 3ipv s THR 4 Ca 0.02 0.22 -0.09 0.00 0.31 0.00 0.00 61.69 62.15 3ipv s THR 4 Cb -0.08 -0.15 0.00 0.00 0.01 0.00 0.00 72.50 72.28 3ipv s THR 4 CO 0.01 0.09 0.19 -0.94 -0.69 0.00 0.00 174.62 173.28 3ipv s SER 5 N 1.21 0.05 0.13 3.53 1.04 -1.26 -1.12 113.70 117.28 3ipv s SER 5 Ca -0.08 -0.39 -0.16 0.00 0.48 0.00 0.00 55.95 55.79 3ipv s SER 5 Cb -0.12 0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.32 3ipv s SER 5 CO -0.04 -0.56 0.41 0.72 0.98 0.00 0.00 173.24 174.75 3ipv s PHE 6 N -2.61 -0.21 -0.05 5.02 -0.71 -0.45 -4.98 117.98 113.99 3ipv s PHE 6 Ca -0.05 -0.11 0.01 0.00 -1.04 0.00 0.00 56.93 55.74 3ipv s PHE 6 Cb -0.01 0.27 0.02 0.00 -1.21 0.00 0.00 43.02 42.10 3ipv s PHE 6 CO -0.04 -0.72 -0.05 0.08 -1.34 0.00 0.00 175.22 173.15 3ipv s VAL 7 N -3.81 0.64 -0.50 -2.49 1.01 -1.26 -0.89 120.40 113.10 3ipv s VAL 7 Ca 0.03 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 3ipv s VAL 7 Cb 0.02 -0.66 0.13 0.00 0.00 0.00 0.00 36.38 35.87 3ipv s VAL 7 CO -0.11 0.26 0.35 -0.36 0.00 0.00 0.00 175.10 175.23 3ipv s PHE 8 N 1.01 3.49 -0.65 5.22 0.40 0.12 -4.94 117.98 122.63 3ipv s PHE 8 Ca -0.09 -2.20 0.25 0.00 -0.60 0.00 0.00 56.93 54.29 3ipv s PHE 8 Cb -0.14 -3.38 0.65 0.00 0.51 0.00 0.00 43.02 40.65 3ipv s PHE 8 CO -0.00 -0.96 1.69 0.77 0.70 0.00 0.00 175.22 177.41 3ipv h SER 9 N 8.03 0.00 -3.76 1.36 0.02 -1.88 0.20 113.55 117.52 3ipv h SER 9 Ca -0.13 -0.02 -0.24 0.00 -0.84 0.00 0.00 61.79 60.56 3ipv h SER 9 Cb 1.04 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.53 3ipv h SER 9 CO 0.78 0.01 -0.10 2.29 -1.14 0.00 0.00 176.83 178.67 3ipv n LYS 10 N -2.46 0.71 -4.10 3.45 2.85 -1.26 -4.61 118.16 112.75 3ipv n LYS 10 Ca 0.05 -2.59 -0.23 0.00 -1.05 0.00 0.00 58.31 54.49 3ipv n LYS 10 Cb 0.46 2.56 -0.07 0.00 -0.65 0.00 0.00 35.03 37.33 3ipv n LYS 10 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 3ipv s PHE 11 N -2.99 2.66 0.11 5.58 0.08 -0.89 -4.99 117.98 117.53 3ipv s PHE 11 Ca 0.26 -0.45 0.03 0.00 0.12 0.00 0.00 56.93 56.90 3ipv s PHE 11 Cb -0.01 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.66 3ipv s PHE 11 CO 0.19 0.28 -0.09 0.15 -0.10 0.00 0.00 175.22 175.65 3ipv s LYS 12 N -3.87 0.89 0.22 0.44 1.02 -1.26 -4.17 119.74 113.02 3ipv s LYS 12 Ca 0.39 -1.26 -0.08 0.00 0.02 0.00 0.00 55.97 55.03 3ipv s LYS 12 Cb -0.01 -0.48 0.19 0.00 -0.52 0.00 0.00 37.83 37.01 3ipv s LYS 12 CO 0.23 0.06 1.88 -1.35 -0.92 0.00 0.00 175.35 175.24 3ipv h PRO 13 N 3.25 1.14 -5.04 -1.68 0.11 -1.84 -3.28 132.00 124.67 3ipv h PRO 13 Ca -0.37 -0.09 -0.68 0.00 0.11 0.00 0.00 66.00 64.98 3ipv h PRO 13 Cb 1.18 -0.25 -0.18 0.00 0.11 0.00 0.00 31.00 31.87 3ipv h PRO 13 CO 0.58 0.79 0.11 -1.17 -0.21 0.00 0.00 178.00 178.09 3ipv s LEU 14 N -10.06 4.90 -0.56 2.35 2.96 -1.26 -4.91 118.68 112.10 3ipv s LEU 14 Ca -0.13 -0.88 0.05 0.00 -0.22 0.00 0.00 54.13 52.95 3ipv s LEU 14 Cb 0.16 -2.48 0.19 0.00 0.50 0.00 0.00 46.19 44.57 3ipv s LEU 14 CO 0.80 -0.94 0.49 1.21 -1.32 0.00 0.00 176.35 176.59 3ipv n GLU 15 N 6.32 1.25 0.00 1.98 4.07 -1.24 -4.98 120.64 128.05 3ipv n GLU 15 Ca -0.06 -3.91 0.10 0.00 -0.06 0.00 0.00 57.16 53.23 3ipv n GLU 15 Cb 0.45 -1.93 0.45 0.00 -0.06 0.00 0.00 31.44 30.35 3ipv n GLU 15 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 3ipv n PRO 16 N 1.98 0.01 -0.05 5.31 -0.04 -1.26 -2.04 135.00 138.91 3ipv n PRO 16 Ca 0.25 0.14 0.09 0.00 -0.04 0.00 0.00 63.50 63.94 3ipv n PRO 16 Cb 0.43 -1.51 0.38 0.00 -0.04 0.00 0.00 33.50 32.76 3ipv n PRO 16 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3ipv n ASN 17 N -1.52 0.95 -4.59 3.54 6.94 -1.26 -4.77 115.26 114.55 3ipv n ASN 17 Ca 0.05 -1.66 -0.32 0.00 -0.02 0.00 0.00 54.58 52.63 3ipv n ASN 17 Cb 0.25 -0.07 -0.11 0.00 -2.36 0.00 0.00 39.78 37.49 3ipv n ASN 17 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3ipv s LEU 18 N -1.46 3.13 -0.33 -4.53 1.43 -0.86 -1.05 118.68 115.00 3ipv s LEU 18 Ca 0.27 -0.15 -0.07 0.00 -1.03 0.00 0.00 54.13 53.15 3ipv s LEU 18 Cb 0.14 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.60 3ipv s LEU 18 CO 0.21 0.29 0.11 -0.63 0.23 0.00 0.00 176.35 176.56 3ipv s ILE 19 N -0.98 3.91 -0.13 -0.59 1.01 0.94 -4.86 121.20 120.50 3ipv s ILE 19 Ca 0.17 -1.00 -0.25 0.00 0.00 0.00 0.00 60.65 59.56 3ipv s ILE 19 Cb -0.11 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.18 3ipv s ILE 19 CO 0.07 -0.12 0.80 -0.76 0.00 0.00 0.00 174.94 174.93 3ipv s LEU 20 N 1.44 4.23 0.21 2.97 1.43 -1.26 -1.42 118.68 126.27 3ipv s LEU 20 Ca -0.00 1.21 0.11 0.00 -1.03 0.00 0.00 54.13 54.42 3ipv s LEU 20 Cb -0.19 -3.21 -0.05 0.00 0.03 0.00 0.00 46.19 42.77 3ipv s LEU 20 CO 0.03 -0.31 -0.23 -1.10 0.23 0.00 0.00 176.35 174.97 3ipv s GLN 21 N 1.70 1.53 6.30 1.70 -0.21 0.97 -4.98 119.66 126.67 3ipv s GLN 21 Ca 0.39 -1.57 0.00 0.00 0.02 0.00 0.00 55.36 54.20 3ipv s GLN 21 Cb -0.17 -1.78 0.00 0.00 1.00 0.00 0.00 33.01 32.05 3ipv s GLN 21 CO 0.15 0.37 0.00 0.41 -2.12 0.00 0.00 175.29 174.10 3ipv n GLY 22 N 0.07 2.22 0.17 3.09 0.00 -1.26 -1.08 105.19 108.40 3ipv n GLY 22 Ca -0.11 -0.44 0.13 0.00 0.00 0.00 0.00 46.02 45.60 3ipv n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ipv n ASP 23 N 3.98 0.75 -4.71 1.61 8.00 -0.25 -4.91 116.55 121.01 3ipv n ASP 23 Ca 0.00 -0.67 -0.43 0.00 0.71 0.00 0.00 54.79 54.40 3ipv n ASP 23 Cb 0.00 0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 3ipv n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ipv n ALA 24 N -0.87 2.25 -2.58 2.24 0.00 -1.14 -4.66 120.51 115.76 3ipv n ALA 24 Ca 0.12 0.40 -0.09 0.00 0.00 0.00 0.00 53.44 53.88 3ipv n ALA 24 Cb 0.32 -2.44 -0.09 0.00 0.00 0.00 0.00 19.45 17.24 3ipv n ALA 24 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3ipv s LEU 25 N 0.51 1.86 -0.08 0.00 0.05 -0.86 -4.70 118.68 115.45 3ipv s LEU 25 Ca 0.72 -0.64 -0.01 0.00 0.05 0.00 0.00 54.13 54.24 3ipv s LEU 25 Cb -0.55 0.61 -0.03 0.00 -2.05 0.00 0.00 46.19 44.16 3ipv s LEU 25 CO 0.40 -0.57 -0.01 -0.69 -0.55 0.00 0.00 176.35 174.94 3ipv s VAL 26 N -3.09 4.22 0.59 1.48 1.01 -1.26 -0.92 120.40 122.43 3ipv s VAL 26 Ca -0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 3ipv s VAL 26 Cb 0.02 -2.77 0.04 0.00 0.00 0.00 0.00 36.38 33.66 3ipv s VAL 26 CO -0.07 0.59 0.83 0.42 0.00 0.00 0.00 175.10 176.88 3ipv s THR 27 N -0.89 2.63 0.47 3.92 -4.23 -0.40 -4.69 115.64 112.45 3ipv s THR 27 Ca 0.14 -0.55 0.16 0.00 -1.18 0.00 0.00 61.69 60.26 3ipv s THR 27 Cb -0.11 -3.03 0.22 0.00 1.34 0.00 0.00 72.50 70.92 3ipv s THR 27 CO 0.03 -0.02 2.05 -0.37 -0.54 0.00 0.00 174.62 175.76 3ipv h VAL 28 N -0.09 1.04 0.00 2.29 -1.51 -1.97 0.97 116.25 116.98 3ipv h VAL 28 Ca -0.43 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 64.60 3ipv h VAL 28 Cb 1.30 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.70 3ipv h VAL 28 CO 0.55 0.12 0.00 0.00 -1.23 0.00 0.00 177.57 177.01 3ipv n ALA 29 N -2.49 2.48 -0.69 5.19 0.00 -1.26 -4.88 120.51 118.85 3ipv n ALA 29 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3ipv n ALA 29 Cb 0.20 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3ipv n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ipv n GLY 30 N 0.64 0.57 3.70 0.00 0.00 0.34 -4.96 105.19 105.48 3ipv n GLY 30 Ca 0.17 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 3ipv n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ipv s VAL 31 N -2.00 5.34 -0.64 1.61 1.01 -1.25 -2.10 120.40 122.37 3ipv s VAL 31 Ca 0.00 0.33 -0.28 0.00 0.00 0.00 0.00 61.98 62.04 3ipv s VAL 31 Cb 0.00 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.86 3ipv s VAL 31 CO 0.00 0.37 1.25 -0.22 0.00 0.00 0.00 175.10 176.50 3ipv s LEU 32 N 0.76 3.33 -0.71 3.92 2.96 -0.55 -1.27 118.68 127.12 3ipv s LEU 32 Ca 0.11 -0.10 -0.19 0.00 -0.22 0.00 0.00 54.13 53.73 3ipv s LEU 32 Cb -0.13 -2.91 0.12 0.00 0.50 0.00 0.00 46.19 43.77 3ipv s LEU 32 CO 0.03 -1.65 0.86 -1.10 -1.32 0.00 0.00 176.35 173.17 3ipv s GLN 33 N 5.32 3.25 0.27 1.98 -0.21 -0.10 -0.05 119.66 130.13 3ipv s GLN 33 Ca 0.40 -1.46 0.01 0.00 0.02 0.00 0.00 55.36 54.34 3ipv s GLN 33 Cb -0.08 -4.43 0.38 0.00 1.00 0.00 0.00 33.01 29.88 3ipv s GLN 33 CO 0.21 -1.62 1.72 -0.07 -2.12 0.00 0.00 175.29 173.41 3ipv h LEU 34 N 10.10 0.56 -9.00 2.90 3.38 -1.68 -2.29 115.31 119.28 3ipv h LEU 34 Ca -0.14 -0.18 -0.60 0.00 0.09 0.00 0.00 57.88 57.04 3ipv h LEU 34 Cb 1.06 -0.15 -0.17 0.00 0.09 0.00 0.00 40.66 41.49 3ipv h LEU 34 CO 1.08 0.77 -0.80 0.42 0.09 0.00 0.00 178.44 180.00 3ipv s THR 35 N -4.58 2.21 0.10 0.22 -4.23 -1.26 -3.10 115.64 104.99 3ipv s THR 35 Ca -0.07 -2.07 -0.36 0.00 -1.18 0.00 0.00 61.69 58.00 3ipv s THR 35 Cb 0.14 -2.07 -0.16 0.00 1.34 0.00 0.00 72.50 71.74 3ipv s THR 35 CO 0.80 -0.24 1.39 0.59 -0.54 0.00 0.00 174.62 176.62 3ipv n ASN 36 N 0.10 1.95 -3.83 3.99 3.02 -1.26 -4.71 115.26 114.51 3ipv n ASN 36 Ca -0.11 1.11 -0.19 0.00 -0.03 0.00 0.00 54.58 55.36 3ipv n ASN 36 Cb 0.57 -1.24 -0.17 0.00 -0.61 0.00 0.00 39.78 38.33 3ipv n ASN 36 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ipv s VAL 37 N 0.57 0.34 0.01 2.41 1.01 -1.26 -1.59 120.40 121.89 3ipv s VAL 37 Ca 0.83 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.83 3ipv s VAL 37 Cb -0.89 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 35.06 3ipv s VAL 37 CO 0.45 0.20 0.02 -0.90 0.00 0.00 0.00 175.10 174.86 3ipv n ASP 38 N 4.31 0.00 0.25 3.32 5.68 -0.30 -4.87 116.55 124.95 3ipv n ASP 38 Ca -0.22 -1.01 0.13 0.00 -0.50 0.00 0.00 54.79 53.20 3ipv n ASP 38 Cb 0.50 -0.01 0.59 0.00 -1.14 0.00 0.00 41.12 41.06 3ipv n ASP 38 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3ipv h LYS 39 N 0.00 0.00 -0.11 0.11 3.64 -2.02 -2.28 116.57 115.91 3ipv h LYS 39 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3ipv h LYS 39 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3ipv h LYS 39 CO 0.00 0.12 0.00 0.09 -2.27 0.00 0.00 179.45 177.40 3ipv n ASN 40 N -3.29 1.34 0.00 4.20 5.03 -1.26 -4.91 115.26 116.37 3ipv n ASN 40 Ca 0.00 -1.61 0.00 0.00 0.87 0.00 0.00 54.58 53.84 3ipv n ASN 40 Cb 0.35 -0.07 0.00 0.00 -1.02 0.00 0.00 39.78 39.04 3ipv n ASN 40 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ipv n GLY 41 N 1.08 0.64 3.64 7.41 0.00 -0.86 -5.05 105.19 112.06 3ipv n GLY 41 Ca 0.16 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3ipv n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ipv s VAL 42 N -2.00 5.02 0.66 1.61 1.01 -1.26 -4.77 120.40 120.67 3ipv s VAL 42 Ca 0.00 1.09 -0.14 0.00 0.00 0.00 0.00 61.98 62.93 3ipv s VAL 42 Cb 0.00 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 3ipv s VAL 42 CO 0.00 0.08 1.08 -2.16 0.00 0.00 0.00 175.10 174.10 3ipv s PRO 43 N 2.17 2.96 0.12 2.72 0.04 -1.26 -1.15 135.00 140.60 3ipv s PRO 43 Ca 0.26 1.19 0.08 0.00 0.04 0.00 0.00 61.00 62.57 3ipv s PRO 43 Cb -0.16 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 3ipv s PRO 43 CO 0.09 -1.10 -0.14 -1.21 0.04 0.00 0.00 177.00 174.68 3ipv s GLU 44 N -4.41 1.93 0.91 4.56 0.41 -0.62 -4.80 118.70 116.68 3ipv s GLU 44 Ca 0.63 -1.13 -0.14 0.00 -0.41 0.00 0.00 54.97 53.92 3ipv s GLU 44 Cb -0.17 -2.19 0.15 0.00 -1.78 0.00 0.00 34.13 30.14 3ipv s GLU 44 CO 0.45 0.49 1.23 -1.25 -0.49 0.00 0.00 175.26 175.68 3ipv s PRO 45 N -2.22 1.11 -1.64 0.39 0.05 -1.26 -4.28 135.00 127.15 3ipv s PRO 45 Ca 0.20 -0.08 0.00 0.00 0.05 0.00 0.00 61.00 61.17 3ipv s PRO 45 Cb -0.11 -1.87 0.00 0.00 0.05 0.00 0.00 34.50 32.57 3ipv s PRO 45 CO 0.12 -2.15 0.00 0.43 0.05 0.00 0.00 177.00 175.45 3ipv n SER 46 N -3.66 -5.47 -4.60 6.66 7.64 0.02 -4.96 113.62 109.25 3ipv n SER 46 Ca 0.11 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.67 3ipv n SER 46 Cb 0.60 -4.53 -0.10 0.00 -1.01 0.00 0.00 64.21 59.17 3ipv n SER 46 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3ipv s SER 47 N -2.17 4.66 -0.07 6.43 0.15 -1.26 -4.98 113.70 116.46 3ipv s SER 47 Ca 0.00 -0.13 -0.03 0.00 0.70 0.00 0.00 55.95 56.49 3ipv s SER 47 Cb 0.00 -1.10 0.04 0.00 -1.71 0.00 0.00 66.02 63.25 3ipv s SER 47 CO 0.00 0.29 0.17 -0.22 1.20 0.00 0.00 173.24 174.67 3ipv s LEU 48 N -1.41 0.65 -0.01 3.45 0.20 -1.26 -1.02 118.68 119.27 3ipv s LEU 48 Ca 0.17 0.34 -0.09 0.00 0.69 0.00 0.00 54.13 55.24 3ipv s LEU 48 Cb -0.11 0.44 0.01 0.00 -0.43 0.00 0.00 46.19 46.09 3ipv s LEU 48 CO 0.07 -0.15 0.19 -0.83 -0.29 0.00 0.00 176.35 175.34 3ipv s GLY 49 N 1.20 -0.03 0.06 7.98 0.00 -0.23 -1.09 107.32 115.21 3ipv s GLY 49 Ca -0.09 0.09 -0.03 0.00 0.00 0.00 0.00 44.72 44.69 3ipv s GLY 49 CO -0.06 -0.06 0.03 0.50 0.00 0.00 0.00 173.10 173.51 3ipv s ARG 50 N -1.14 0.67 -0.09 2.90 0.52 -0.24 -1.12 118.95 120.45 3ipv s ARG 50 Ca -0.12 -1.13 -0.06 0.00 -0.52 0.00 0.00 55.73 53.90 3ipv s ARG 50 Cb -0.06 0.24 0.04 0.00 0.52 0.00 0.00 34.95 35.69 3ipv s ARG 50 CO 0.02 -0.15 0.22 0.00 0.02 0.00 0.00 175.30 175.41 3ipv s ALA 51 N -3.85 -0.51 0.01 2.13 0.00 -0.81 -0.02 121.76 118.71 3ipv s ALA 51 Ca 0.06 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.85 3ipv s ALA 51 Cb 0.07 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 3ipv s ALA 51 CO -0.10 -0.16 -0.01 0.95 0.00 0.00 0.00 175.76 176.43 3ipv s THR 52 N 0.88 0.05 0.47 0.00 -4.23 -0.51 -0.75 115.64 111.56 3ipv s THR 52 Ca -0.06 -0.37 -0.24 0.00 -1.18 0.00 0.00 61.69 59.83 3ipv s THR 52 Cb -0.08 -0.12 -0.07 0.00 1.34 0.00 0.00 72.50 73.58 3ipv s THR 52 CO -0.05 -0.20 1.35 -0.47 -0.54 0.00 0.00 174.62 174.71 3ipv s TYR 53 N -0.60 2.52 -0.04 3.99 5.04 -0.30 -0.04 117.35 127.92 3ipv s TYR 53 Ca -0.07 1.36 0.18 0.00 -2.44 0.00 0.00 57.07 56.10 3ipv s TYR 53 Cb -0.04 -3.78 0.36 0.00 0.35 0.00 0.00 41.96 38.85 3ipv s TYR 53 CO -0.00 -2.61 1.58 0.66 -1.34 0.00 0.00 175.55 173.83 3ipv h SER 54 N 2.09 0.00 -3.30 4.32 4.64 -1.43 -3.42 113.55 116.46 3ipv h SER 54 Ca -0.50 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.24 3ipv h SER 54 Cb 1.27 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.30 3ipv h SER 54 CO 0.60 0.41 -0.06 0.00 -0.87 0.00 0.00 176.83 176.92 3ipv s ALA 55 N -3.23 3.48 0.55 5.18 0.00 -1.26 -5.02 121.76 121.46 3ipv s ALA 55 Ca 0.03 -0.05 -0.21 0.00 0.00 0.00 0.00 51.96 51.72 3ipv s ALA 55 Cb 0.09 -2.71 -0.05 0.00 0.00 0.00 0.00 23.12 20.45 3ipv s ALA 55 CO 0.71 0.11 1.32 -2.30 0.00 0.00 0.00 175.76 175.60 3ipv n PRO 56 N 3.09 1.59 -4.78 0.00 -0.02 -1.26 -4.79 135.00 128.83 3ipv n PRO 56 Ca -0.07 0.59 -0.33 0.00 -2.02 0.00 0.00 63.50 61.67 3ipv n PRO 56 Cb 0.51 -2.53 -0.14 0.00 -0.02 0.00 0.00 33.50 31.32 3ipv n PRO 56 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ipv s ILE 57 N -1.31 3.12 -0.52 4.25 1.01 0.98 -4.94 121.20 123.80 3ipv s ILE 57 Ca 0.72 -0.66 -0.27 0.00 0.00 0.00 0.00 60.65 60.45 3ipv s ILE 57 Cb -0.42 -2.29 0.03 0.00 0.01 0.00 0.00 42.46 39.79 3ipv s ILE 57 CO 0.49 0.54 1.08 0.21 0.00 0.00 0.00 174.94 177.26 3ipv s ASN 58 N 0.01 6.49 -0.09 3.58 3.84 -1.26 -1.73 114.94 125.79 3ipv s ASN 58 Ca -0.04 0.14 0.19 0.00 0.21 0.00 0.00 52.86 53.36 3ipv s ASN 58 Cb -0.14 -2.51 -0.25 0.00 -0.55 0.00 0.00 41.25 37.79 3ipv s ASN 58 CO 0.04 -1.28 0.37 0.00 -2.79 0.00 0.00 177.10 173.44 3ipv n ILE 59 N 6.59 0.90 -3.92 -5.21 0.00 0.17 -4.72 119.36 113.17 3ipv n ILE 59 Ca 0.08 -0.71 -0.09 0.00 0.00 0.00 0.00 62.75 62.04 3ipv n ILE 59 Cb 0.49 -0.38 -0.03 0.00 0.00 0.00 0.00 39.64 39.72 3ipv n ILE 59 CO 0.00 0.00 0.00 -1.66 0.00 0.00 0.00 176.55 174.89 3ipv s TRP 60 N -2.92 0.14 -0.06 9.51 1.48 -1.18 0.11 118.94 126.02 3ipv s TRP 60 Ca -0.08 -0.59 -0.03 0.00 -1.06 0.00 0.00 56.10 54.35 3ipv s TRP 60 Cb 0.09 0.49 0.04 0.00 -1.16 0.00 0.00 33.47 32.93 3ipv s TRP 60 CO 0.85 -1.20 0.12 0.34 -4.06 0.00 0.00 176.95 173.01 3ipv s ASP 61 N -3.00 0.55 0.27 -2.66 2.15 -0.18 -4.63 116.67 109.16 3ipv s ASP 61 Ca 0.17 0.24 0.14 0.00 0.43 0.00 0.00 52.55 53.52 3ipv s ASP 61 Cb -0.04 0.13 0.20 0.00 -0.30 0.00 0.00 42.92 42.91 3ipv s ASP 61 CO 0.09 -0.21 1.50 0.77 -0.17 0.00 0.00 175.17 177.16 3ipv h SER 62 N 7.99 0.00 -0.03 -0.34 4.64 -1.94 0.27 113.55 124.13 3ipv h SER 62 Ca -0.24 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3ipv h SER 62 Cb 1.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3ipv h SER 62 CO 0.25 0.60 0.00 0.00 -0.87 0.00 0.00 176.83 176.81 3ipv h ALA 63 N 1.40 0.04 0.00 5.18 0.00 -1.97 -3.26 119.26 120.65 3ipv h ALA 63 Ca -0.01 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 3ipv h ALA 63 Cb 1.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3ipv h ALA 63 CO 0.08 -0.30 -1.18 1.79 0.00 0.00 0.00 179.25 179.64 3ipv h THR 64 N -0.23 0.25 0.00 0.00 1.35 -1.99 -3.48 112.91 108.82 3ipv h THR 64 Ca 0.01 -1.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.38 3ipv h THR 64 Cb 0.30 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 3ipv h THR 64 CO 0.00 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 3ipv n GLY 65 N 1.28 0.51 3.81 5.82 0.00 0.94 -5.03 105.19 112.52 3ipv n GLY 65 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 3ipv n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ipv s LEU 66 N 0.00 3.99 0.09 0.99 1.43 -1.21 -4.81 118.68 119.16 3ipv s LEU 66 Ca 0.00 1.77 0.08 0.00 -1.03 0.00 0.00 54.13 54.95 3ipv s LEU 66 Cb 0.00 -4.45 -0.04 0.00 0.03 0.00 0.00 46.19 41.73 3ipv s LEU 66 CO 0.00 -0.40 -0.16 -0.69 0.23 0.00 0.00 176.35 175.33 3ipv s VAL 67 N -2.03 2.98 0.42 -1.59 1.01 -1.26 -1.01 120.40 118.91 3ipv s VAL 67 Ca 0.61 -1.35 -0.25 0.00 0.00 0.00 0.00 61.98 60.99 3ipv s VAL 67 Cb -0.12 -2.35 -0.08 0.00 0.00 0.00 0.00 36.38 33.83 3ipv s VAL 67 CO 0.17 0.17 1.21 0.00 0.00 0.00 0.00 175.10 176.64 3ipv s ALA 68 N -1.10 3.11 0.39 5.51 0.00 0.12 -4.66 121.76 125.12 3ipv s ALA 68 Ca 0.18 1.04 -0.15 0.00 0.00 0.00 0.00 51.96 53.03 3ipv s ALA 68 Cb -0.11 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.51 3ipv s ALA 68 CO 0.10 -0.68 0.82 -1.12 0.00 0.00 0.00 175.76 174.88 3ipv s SER 69 N -1.09 6.72 0.24 0.00 0.01 -0.72 -4.43 113.70 114.44 3ipv s SER 69 Ca 0.59 1.37 -0.07 0.00 1.31 0.00 0.00 55.95 59.15 3ipv s SER 69 Cb -0.32 -2.41 -0.02 0.00 0.21 0.00 0.00 66.02 63.47 3ipv s SER 69 CO 0.40 -0.34 0.34 0.72 0.41 0.00 0.00 173.24 174.77 3ipv s PHE 70 N -2.21 0.74 -0.18 2.43 -0.12 -0.94 -1.00 117.98 116.70 3ipv s PHE 70 Ca 0.56 -1.03 -0.17 0.00 -0.05 0.00 0.00 56.93 56.24 3ipv s PHE 70 Cb -0.10 -0.14 0.05 0.00 -0.63 0.00 0.00 43.02 42.20 3ipv s PHE 70 CO 0.22 -0.86 0.48 0.00 -0.05 0.00 0.00 175.22 175.01 3ipv s ALA 71 N -4.00 -1.18 -0.06 1.99 0.00 -0.25 -0.95 121.76 117.31 3ipv s ALA 71 Ca 0.30 1.35 -0.07 0.00 0.00 0.00 0.00 51.96 53.54 3ipv s ALA 71 Cb 0.02 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.37 3ipv s ALA 71 CO 0.11 -0.23 0.19 -0.08 0.00 0.00 0.00 175.76 175.75 3ipv s THR 72 N 0.26 0.01 0.03 0.00 -1.32 0.36 -1.53 115.64 113.46 3ipv s THR 72 Ca -0.00 -0.12 0.03 0.00 -1.21 0.00 0.00 61.69 60.40 3ipv s THR 72 Cb -0.03 -0.31 -0.02 0.00 -1.51 0.00 0.00 72.50 70.63 3ipv s THR 72 CO 0.01 -0.06 -0.11 -0.94 -2.21 0.00 0.00 174.62 171.31 3ipv s SER 73 N -0.16 1.22 0.14 8.08 1.04 -0.60 -0.34 113.70 123.08 3ipv s SER 73 Ca -0.03 -0.42 -0.15 0.00 0.48 0.00 0.00 55.95 55.84 3ipv s SER 73 Cb -0.02 -0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.07 3ipv s SER 73 CO 0.01 -0.03 0.40 0.72 0.98 0.00 0.00 173.24 175.31 3ipv s PHE 74 N -0.87 -0.09 -0.11 5.02 -0.71 -0.75 -0.94 117.98 119.53 3ipv s PHE 74 Ca -0.02 -0.24 0.03 0.00 -1.04 0.00 0.00 56.93 55.66 3ipv s PHE 74 Cb -0.07 0.23 0.01 0.00 -1.21 0.00 0.00 43.02 41.97 3ipv s PHE 74 CO 0.01 -0.73 -0.21 0.50 -1.34 0.00 0.00 175.22 173.44 3ipv s ARG 75 N -3.84 2.80 0.04 1.99 3.52 -1.01 -0.33 118.95 122.11 3ipv s ARG 75 Ca 0.06 -0.78 -0.03 0.00 -0.13 0.00 0.00 55.73 54.85 3ipv s ARG 75 Cb 0.02 -2.21 -0.02 0.00 -1.56 0.00 0.00 34.95 31.18 3ipv s ARG 75 CO -0.09 0.06 0.03 -0.59 -0.81 0.00 0.00 175.30 173.91 3ipv s PHE 76 N 0.63 0.29 -0.02 5.12 -0.71 -0.64 -0.78 117.98 121.88 3ipv s PHE 76 Ca -0.13 -0.65 0.06 0.00 -1.04 0.00 0.00 56.93 55.18 3ipv s PHE 76 Cb -0.16 -0.21 -0.01 0.00 -1.21 0.00 0.00 43.02 41.42 3ipv s PHE 76 CO 0.03 -0.32 -0.20 0.99 -1.34 0.00 0.00 175.22 174.38 3ipv s THR 77 N -2.62 1.55 -0.16 -4.49 2.01 -0.02 -0.42 115.64 111.50 3ipv s THR 77 Ca -0.05 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.13 3ipv s THR 77 Cb -0.01 -1.29 0.02 0.00 0.01 0.00 0.00 72.50 71.22 3ipv s THR 77 CO -0.05 0.44 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.50 3ipv s ILE 78 N -0.42 1.91 -0.15 1.82 1.01 -1.26 -1.57 121.20 122.54 3ipv s ILE 78 Ca 0.07 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.87 3ipv s ILE 78 Cb -0.08 -1.73 0.01 0.00 0.01 0.00 0.00 42.46 40.68 3ipv s ILE 78 CO -0.00 0.52 -0.19 -0.47 0.00 0.00 0.00 174.94 174.79 3ipv s TYR 79 N 1.17 2.52 -0.16 3.97 5.04 -1.25 -1.07 117.35 127.56 3ipv s TYR 79 Ca 0.01 -1.34 -0.01 0.00 -2.44 0.00 0.00 57.07 53.29 3ipv s TYR 79 Cb -0.14 -1.75 -0.01 0.00 0.35 0.00 0.00 41.96 40.42 3ipv s TYR 79 CO -0.08 -0.65 -0.13 0.00 -1.34 0.00 0.00 175.55 173.35 3ipv s ALA 80 N 1.05 2.58 0.49 3.97 0.00 -1.26 -1.12 121.76 127.46 3ipv s ALA 80 Ca -0.02 -1.02 0.35 0.00 0.00 0.00 0.00 51.96 51.27 3ipv s ALA 80 Cb -0.14 -1.30 1.86 0.00 0.00 0.00 0.00 23.12 23.54 3ipv s ALA 80 CO -0.06 -0.02 2.20 -1.00 0.00 0.00 0.00 175.76 176.88 3ipv h PRO 81 N 7.27 0.00 -3.13 0.00 0.13 -1.94 -3.37 132.00 130.96 3ipv h PRO 81 Ca -0.32 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.25 3ipv h PRO 81 Cb 1.19 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.92 3ipv h PRO 81 CO 0.57 0.04 -0.77 1.21 -0.23 0.00 0.00 178.00 178.82 3ipv s ASN 82 N -5.72 3.76 0.00 1.44 2.47 -1.26 -5.01 114.94 110.61 3ipv s ASN 82 Ca -0.03 -1.44 0.09 0.00 0.42 0.00 0.00 52.86 51.89 3ipv s ASN 82 Cb 0.13 -0.58 0.41 0.00 -1.45 0.00 0.00 41.25 39.76 3ipv s ASN 82 CO 0.51 -0.43 1.24 0.00 -3.72 0.00 0.00 177.10 174.70 3ipv n ILE 83 N 5.07 1.14 0.24 -5.21 0.13 -1.26 -1.07 119.36 118.41 3ipv n ILE 83 Ca -0.04 0.29 0.12 0.00 -1.10 0.00 0.00 62.75 62.01 3ipv n ILE 83 Cb 0.42 -1.13 0.18 0.00 -0.84 0.00 0.00 39.64 38.27 3ipv n ILE 83 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3ipv h ALA 84 N 2.36 0.99 -2.94 1.51 0.00 -1.95 -3.40 119.26 115.83 3ipv h ALA 84 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 3ipv h ALA 84 Cb 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.52 3ipv h ALA 84 CO 0.00 0.00 -0.76 0.95 0.00 0.00 0.00 179.25 179.44 3ipv s THR 85 N -3.21 1.15 0.12 0.00 -4.23 -0.23 -5.12 115.64 104.14 3ipv s THR 85 Ca 0.07 -2.33 0.05 0.00 -1.18 0.00 0.00 61.69 58.30 3ipv s THR 85 Cb 0.05 -1.82 -0.04 0.00 1.34 0.00 0.00 72.50 72.04 3ipv s THR 85 CO 0.67 -0.89 -0.12 0.27 -0.54 0.00 0.00 174.62 174.00 3ipv s ILE 86 N 0.57 1.20 0.00 2.99 -4.36 -1.26 -3.22 121.20 117.11 3ipv s ILE 86 Ca 0.17 -1.80 0.00 0.00 -0.26 0.00 0.00 60.65 58.76 3ipv s ILE 86 Cb -0.24 -1.58 0.00 0.00 1.25 0.00 0.00 42.46 41.89 3ipv s ILE 86 CO -0.01 -0.55 0.00 0.00 0.24 0.00 0.00 174.94 174.62 3ipv n ALA 87 N 0.32 0.00 -0.08 2.27 0.00 -1.26 -4.45 120.51 117.31 3ipv n ALA 87 Ca -0.14 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.23 3ipv n ALA 87 Cb 0.58 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.90 3ipv n ALA 87 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ipv n ASP 88 N 0.00 0.75 0.00 0.00 8.00 0.11 -3.36 116.55 122.05 3ipv n ASP 88 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3ipv n ASP 88 Cb 0.00 1.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.10 3ipv n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ipv n GLY 89 N 1.90 0.89 3.37 0.44 0.00 -1.01 -1.40 105.19 109.37 3ipv n GLY 89 Ca -0.26 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 43.78 3ipv n GLY 89 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3ipv s LEU 90 N 0.00 0.96 -0.19 0.99 0.05 -0.37 -2.55 118.68 117.57 3ipv s LEU 90 Ca 0.00 -1.32 -0.24 0.00 0.05 0.00 0.00 54.13 52.63 3ipv s LEU 90 Cb 0.00 0.96 0.06 0.00 -2.05 0.00 0.00 46.19 45.17 3ipv s LEU 90 CO 0.00 -1.02 0.63 0.00 -0.55 0.00 0.00 176.35 175.41 3ipv s ALA 91 N -3.87 -1.58 -0.09 1.48 0.00 0.07 0.45 121.76 118.23 3ipv s ALA 91 Ca 0.33 1.62 -0.12 0.00 0.00 0.00 0.00 51.96 53.79 3ipv s ALA 91 Cb 0.03 -0.77 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 3ipv s ALA 91 CO 0.14 -0.31 0.29 0.12 0.00 0.00 0.00 175.76 176.00 3ipv s PHE 92 N -0.08 3.60 0.05 0.00 5.36 -0.91 0.15 117.98 126.17 3ipv s PHE 92 Ca -0.03 0.73 -0.14 0.00 -0.96 0.00 0.00 56.93 56.52 3ipv s PHE 92 Cb -0.04 -2.20 0.02 0.00 -0.34 0.00 0.00 43.02 40.46 3ipv s PHE 92 CO 0.03 0.54 0.32 -0.59 -1.46 0.00 0.00 175.22 174.06 3ipv s PHE 93 N -0.56 -0.12 -0.12 10.12 -0.71 0.08 -1.35 117.98 125.32 3ipv s PHE 93 Ca 0.19 -0.04 0.03 0.00 -1.04 0.00 0.00 56.93 56.07 3ipv s PHE 93 Cb -0.14 0.12 0.01 0.00 -1.21 0.00 0.00 43.02 41.79 3ipv s PHE 93 CO 0.07 -0.53 -0.21 -0.51 -1.34 0.00 0.00 175.22 172.70 3ipv s LEU 94 N -2.17 2.02 0.32 -1.99 1.02 -0.36 -1.86 118.68 115.66 3ipv s LEU 94 Ca -0.04 -0.55 0.01 0.00 0.02 0.00 0.00 54.13 53.57 3ipv s LEU 94 Cb -0.00 -1.35 -0.01 0.00 0.02 0.00 0.00 46.19 44.85 3ipv s LEU 94 CO -0.04 0.10 0.36 0.00 0.02 0.00 0.00 176.35 176.79 3ipv s ALA 95 N 0.65 1.15 0.84 4.21 0.00 -0.84 -1.77 121.76 125.99 3ipv s ALA 95 Ca -0.12 -1.70 -0.13 0.00 0.00 0.00 0.00 51.96 50.01 3ipv s ALA 95 Cb -0.16 1.29 0.06 0.00 0.00 0.00 0.00 23.12 24.31 3ipv s ALA 95 CO 0.03 -0.73 0.91 -2.30 0.00 0.00 0.00 175.76 173.67 3ipv n PRO 96 N -0.54 0.02 -0.22 0.00 -0.02 -1.25 -1.63 135.00 131.36 3ipv n PRO 96 Ca 0.03 0.08 -0.03 0.00 -2.02 0.00 0.00 63.50 61.56 3ipv n PRO 96 Cb 0.62 -2.20 0.08 0.00 -0.02 0.00 0.00 33.50 31.98 3ipv n PRO 96 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3ipv h VAL 97 N -1.07 1.03 -0.02 -1.45 2.07 -1.85 -1.94 116.25 113.02 3ipv h VAL 97 Ca -0.45 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3ipv h VAL 97 Cb 1.30 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3ipv h VAL 97 CO 0.42 0.13 0.00 0.00 0.02 0.00 0.00 177.57 178.15 3ipv n ALA 98 N -2.32 2.59 -1.63 1.67 0.00 -1.26 -4.70 120.51 114.85 3ipv n ALA 98 Ca 0.07 -0.15 -0.44 0.00 0.00 0.00 0.00 53.44 52.92 3ipv n ALA 98 Cb 0.12 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 3ipv n ALA 98 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ipv n SER 99 N -0.64 1.90 -4.22 0.00 2.88 -0.73 -5.03 113.62 107.79 3ipv n SER 99 Ca 0.13 1.18 -0.15 0.00 -1.33 0.00 0.00 58.87 58.70 3ipv n SER 99 Cb 0.09 -1.36 -0.10 0.00 -0.75 0.00 0.00 64.21 62.08 3ipv n SER 99 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ipv s ALA 100 N -0.94 1.34 0.21 -1.46 0.00 -1.26 -5.06 121.76 114.58 3ipv s ALA 100 Ca 0.59 -1.35 -0.32 0.00 0.00 0.00 0.00 51.96 50.88 3ipv s ALA 100 Cb -0.66 0.02 -0.13 0.00 0.00 0.00 0.00 23.12 22.35 3ipv s ALA 100 CO 0.59 -0.04 1.62 -2.30 0.00 0.00 0.00 175.76 175.63 3ipv n PRO 101 N 0.20 2.47 0.00 0.00 -0.02 -1.26 -4.97 135.00 131.42 3ipv n PRO 101 Ca -0.13 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3ipv n PRO 101 Cb 0.59 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 3ipv n PRO 101 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ipv n ASP 102 N 3.29 0.00 -4.68 2.55 8.00 -0.19 -5.00 116.55 120.52 3ipv n ASP 102 Ca 0.15 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.26 3ipv n ASP 102 Cb 0.33 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.47 3ipv n ASP 102 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3ipv n SER 103 N 0.00 1.69 -2.12 -2.24 2.88 -1.08 -4.57 113.62 108.19 3ipv n SER 103 Ca 0.00 0.89 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 3ipv n SER 103 Cb 0.00 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 61.98 3ipv n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ipv n GLY 104 N 1.03 0.47 7.00 0.46 0.00 -1.26 -1.99 105.19 110.90 3ipv n GLY 104 Ca 0.13 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.45 3ipv n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ipv n GLY 105 N 5.00 2.91 0.00 -0.02 0.00 -1.26 -1.86 105.19 109.96 3ipv n GLY 105 Ca 0.00 -0.27 0.06 0.00 0.00 0.00 0.00 46.02 45.82 3ipv n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ipv n GLY 106 N 0.00 -0.69 0.07 -0.02 0.00 -1.26 -0.78 105.19 102.51 3ipv n GLY 106 Ca 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.09 3ipv n GLY 106 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ipv n PHE 107 N -1.28 0.58 -1.83 1.61 3.01 -0.78 -4.92 117.46 113.86 3ipv n PHE 107 Ca 0.06 0.18 -0.21 0.00 1.01 0.00 0.00 57.45 58.49 3ipv n PHE 107 Cb 0.10 -0.79 -0.07 0.00 -0.01 0.00 0.00 39.48 38.71 3ipv n PHE 107 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3ipv n LEU 108 N -1.99 -1.63 -0.00 4.37 4.77 0.04 -1.36 117.00 121.21 3ipv n LEU 108 Ca 0.05 0.36 -0.00 0.00 -0.03 0.00 0.00 56.01 56.39 3ipv n LEU 108 Cb 0.37 -2.86 -0.00 0.00 -2.33 0.00 0.00 43.42 38.60 3ipv n LEU 108 CO 0.27 -0.83 -0.00 0.61 -1.33 0.00 0.00 177.39 176.11 3ipv n GLY 109 N -0.61 0.34 0.00 -0.72 0.00 -0.84 -4.24 105.19 99.11 3ipv n GLY 109 Ca -0.22 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3ipv n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ipv n LEU 110 N -0.00 0.00 -4.11 0.99 4.77 -0.46 -1.02 117.00 117.17 3ipv n LEU 110 Ca -0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 3ipv n LEU 110 Cb 0.17 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.16 3ipv n LEU 110 CO 0.00 0.00 -0.33 -0.36 -1.33 0.00 0.00 177.39 175.37 3ipv s PHE 111 N -1.96 0.63 -0.08 -1.77 0.08 -1.15 -4.81 117.98 108.92 3ipv s PHE 111 Ca 0.00 -1.12 0.18 0.00 0.12 0.00 0.00 56.93 56.11 3ipv s PHE 111 Cb 0.00 -0.41 -0.27 0.00 -0.57 0.00 0.00 43.02 41.76 3ipv s PHE 111 CO 0.00 -0.43 0.42 -0.25 -0.10 0.00 0.00 175.22 174.86 3ipv n ASP 112 N 0.03 0.87 -1.90 1.36 8.00 -1.26 -2.62 116.55 121.03 3ipv n ASP 112 Ca -0.11 -0.07 -0.04 0.00 0.71 0.00 0.00 54.79 55.29 3ipv n ASP 112 Cb 0.62 1.77 0.01 0.00 -0.02 0.00 0.00 41.12 43.50 3ipv n ASP 112 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3ipv n SER 113 N -2.08 -1.05 0.23 -2.24 3.41 -1.26 -4.87 113.62 105.76 3ipv n SER 113 Ca -0.03 -1.70 0.10 0.00 -0.26 0.00 0.00 58.87 56.99 3ipv n SER 113 Cb 0.46 1.74 0.50 0.00 -0.26 0.00 0.00 64.21 66.64 3ipv n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ipv h ALA 114 N 2.00 1.06 -2.22 7.33 0.00 -1.97 -3.42 119.26 122.05 3ipv h ALA 114 Ca -0.15 -0.20 -0.46 0.00 0.00 0.00 0.00 54.91 54.09 3ipv h ALA 114 Cb 0.59 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.35 3ipv h ALA 114 CO 0.20 0.28 0.37 0.08 0.00 0.00 0.00 179.25 180.17 3ipv s VAL 115 N -3.74 4.07 0.41 0.00 1.01 -1.26 -4.39 120.40 116.50 3ipv s VAL 115 Ca -0.00 1.23 -0.22 0.00 0.00 0.00 0.00 61.98 62.99 3ipv s VAL 115 Cb 0.11 -3.52 -0.11 0.00 0.00 0.00 0.00 36.38 32.86 3ipv s VAL 115 CO 0.63 -0.34 0.95 -0.55 0.00 0.00 0.00 175.10 175.80 3ipv s SER 116 N -2.23 6.99 -0.30 3.32 0.15 -1.26 -4.69 113.70 115.67 3ipv s SER 116 Ca 0.64 1.73 -0.10 0.00 0.70 0.00 0.00 55.95 58.92 3ipv s SER 116 Cb -0.13 -2.55 0.17 0.00 -1.71 0.00 0.00 66.02 61.80 3ipv s SER 116 CO 0.20 -0.32 0.84 -0.83 1.20 0.00 0.00 173.24 174.33 3ipv s GLY 117 N -2.06 -0.54 0.61 9.45 0.00 -0.82 -5.02 107.32 108.93 3ipv s GLY 117 Ca 0.60 2.54 0.40 0.00 0.00 0.00 0.00 44.72 48.26 3ipv s GLY 117 CO 0.15 3.40 2.21 1.48 0.00 0.00 0.00 173.10 180.35 3ipv h SER 118 N 7.85 0.00 1.00 1.64 4.64 -1.97 -1.28 113.55 125.42 3ipv h SER 118 Ca -0.17 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 3ipv h SER 118 Cb 1.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3ipv h SER 118 CO 0.09 0.00 -0.03 0.71 -0.87 0.00 0.00 176.83 176.72 3ipv h THR 119 N 0.00 0.09 -0.68 2.95 1.35 -1.95 -2.88 112.91 111.78 3ipv h THR 119 Ca 0.00 -0.59 0.09 0.00 -0.55 0.00 0.00 66.41 65.36 3ipv h THR 119 Cb 0.14 1.54 -0.04 0.00 -1.73 0.00 0.00 68.15 68.06 3ipv h THR 119 CO 0.00 0.03 0.45 1.88 -0.25 0.00 0.00 175.52 177.63 3ipv h TYR 120 N 0.00 0.60 -6.75 4.73 0.05 -1.57 -3.46 116.97 110.58 3ipv h TYR 120 Ca -0.00 0.02 -0.54 0.00 0.05 0.00 0.00 58.73 58.25 3ipv h TYR 120 Cb 0.54 -0.20 -0.26 0.00 1.01 0.00 0.00 36.73 37.83 3ipv h TYR 120 CO 0.00 0.29 -0.82 1.04 -1.05 0.00 0.00 178.16 177.62 3ipv n GLN 121 N -4.48 -0.85 -5.06 4.88 6.02 -1.09 -4.63 117.38 112.16 3ipv n GLN 121 Ca 0.11 0.10 -0.30 0.00 -0.01 0.00 0.00 57.00 56.90 3ipv n GLN 121 Cb 0.33 -3.58 -0.17 0.00 1.02 0.00 0.00 30.24 27.84 3ipv n GLN 121 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3ipv s THR 122 N -3.63 1.81 -0.11 5.09 2.01 -1.26 -3.89 115.64 115.66 3ipv s THR 122 Ca 0.34 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.48 3ipv s THR 122 Cb -0.20 -1.57 0.00 0.00 0.01 0.00 0.00 72.50 70.75 3ipv s THR 122 CO 0.88 0.51 -0.23 -0.69 -0.69 0.00 0.00 174.62 174.40 3ipv s VAL 123 N 0.28 2.08 0.04 3.82 1.01 -0.73 -0.86 120.40 126.04 3ipv s VAL 123 Ca -0.14 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.86 3ipv s VAL 123 Cb -0.16 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 3ipv s VAL 123 CO 0.06 0.56 -0.06 0.00 0.00 0.00 0.00 175.10 175.66 3ipv s ALA 124 N 0.51 0.49 -0.25 5.51 0.00 0.15 -1.22 121.76 126.96 3ipv s ALA 124 Ca -0.15 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 3ipv s ALA 124 Cb -0.17 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.06 3ipv s ALA 124 CO 0.05 -0.10 -0.05 0.08 0.00 0.00 0.00 175.76 175.75 3ipv s VAL 125 N -1.76 3.04 0.11 0.00 1.01 -0.46 -0.13 120.40 122.21 3ipv s VAL 125 Ca -0.08 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 60.99 3ipv s VAL 125 Cb -0.08 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 3ipv s VAL 125 CO -0.01 0.22 0.22 -1.83 0.00 0.00 0.00 175.10 173.70 3ipv s GLU 126 N 1.36 3.34 -0.44 2.72 -1.05 0.48 -2.14 118.70 122.97 3ipv s GLU 126 Ca 0.01 -0.56 0.03 0.00 -0.15 0.00 0.00 54.97 54.30 3ipv s GLU 126 Cb -0.16 -2.95 0.12 0.00 -0.44 0.00 0.00 34.13 30.71 3ipv s GLU 126 CO -0.04 0.56 0.21 -0.06 0.95 0.00 0.00 175.26 176.88 3ipv s PHE 127 N -1.61 2.64 -0.23 4.83 0.40 0.17 -2.00 117.98 122.18 3ipv s PHE 127 Ca 0.34 -2.71 -0.09 0.00 -0.60 0.00 0.00 56.93 53.87 3ipv s PHE 127 Cb -0.12 -2.36 -0.04 0.00 0.51 0.00 0.00 43.02 41.01 3ipv s PHE 127 CO 0.27 -0.80 0.11 0.34 0.70 0.00 0.00 175.22 175.84 3ipv s ASP 128 N 0.32 5.68 0.00 1.36 -1.08 -0.19 -1.24 116.67 121.52 3ipv s ASP 128 Ca 0.16 -0.00 0.13 0.00 -0.52 0.00 0.00 52.55 52.31 3ipv s ASP 128 Cb -0.24 -2.01 0.18 0.00 -1.46 0.00 0.00 42.92 39.40 3ipv s ASP 128 CO -0.03 0.06 1.04 0.35 0.52 0.00 0.00 175.17 177.10 3ipv n THR 129 N 4.31 0.32 -3.71 1.71 -2.24 -0.49 -1.79 114.28 112.39 3ipv n THR 129 Ca -0.16 -0.66 -0.14 0.00 -2.27 0.00 0.00 64.05 60.82 3ipv n THR 129 Cb 0.52 1.02 -0.14 0.00 -2.10 0.00 0.00 70.33 69.63 3ipv n THR 129 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3ipv s TYR 130 N -1.05 -0.24 -0.40 4.78 5.04 -1.25 -4.43 117.35 119.79 3ipv s TYR 130 Ca 0.19 0.65 -0.29 0.00 -2.44 0.00 0.00 57.07 55.18 3ipv s TYR 130 Cb 0.12 -0.10 0.02 0.00 0.35 0.00 0.00 41.96 42.35 3ipv s TYR 130 CO 0.17 -0.23 1.27 -2.00 -1.34 0.00 0.00 175.55 173.41 3ipv s GLU 131 N 1.66 3.74 -0.53 4.97 2.12 -1.26 -4.97 118.70 124.43 3ipv s GLU 131 Ca -0.05 0.89 -0.16 0.00 0.36 0.00 0.00 54.97 56.01 3ipv s GLU 131 Cb -0.11 -3.93 0.12 0.00 0.26 0.00 0.00 34.13 30.46 3ipv s GLU 131 CO -0.07 -1.35 0.50 -0.80 -0.54 0.00 0.00 175.26 173.01 3ipv s ASN 132 N 2.99 6.18 0.41 -1.70 -0.87 -1.26 -4.95 114.94 115.74 3ipv s ASN 132 Ca 0.54 -1.65 0.10 0.00 -1.57 0.00 0.00 52.86 50.28 3ipv s ASN 132 Cb -0.12 -2.22 0.87 0.00 -0.02 0.00 0.00 41.25 39.77 3ipv s ASN 132 CO 0.29 -0.85 1.98 0.71 -2.57 0.00 0.00 177.10 176.66 3ipv h THR 133 N 5.87 1.14 -0.06 1.60 1.35 -1.93 0.08 112.91 120.95 3ipv h THR 133 Ca -0.30 -0.55 0.02 0.00 -0.55 0.00 0.00 66.41 65.03 3ipv h THR 133 Cb 1.10 1.04 -0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3ipv h THR 133 CO 1.02 0.18 0.21 0.58 -0.25 0.00 0.00 175.52 177.26 3ipv h VAL 134 N 0.26 0.11 -0.38 6.82 2.07 -1.95 -0.64 116.25 122.53 3ipv h VAL 134 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3ipv h VAL 134 Cb 0.23 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3ipv h VAL 134 CO 0.01 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.09 3ipv n PHE 135 N -3.17 0.51 -1.57 1.57 3.72 -0.03 -4.92 117.46 113.57 3ipv n PHE 135 Ca -0.01 -0.43 -0.13 0.00 -0.05 0.00 0.00 57.45 56.83 3ipv n PHE 135 Cb 0.29 -0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 38.76 3ipv n PHE 135 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3ipv n THR 136 N 0.80 -0.13 -1.70 4.37 -1.04 -0.25 -4.41 114.28 111.92 3ipv n THR 136 Ca 0.14 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.71 3ipv n THR 136 Cb 0.46 -1.57 -0.03 0.00 -1.82 0.00 0.00 70.33 67.36 3ipv n THR 136 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3ipv n ASP 137 N -0.21 3.59 -4.68 8.00 8.00 -0.94 -4.96 116.55 125.34 3ipv n ASP 137 Ca -0.14 1.08 -0.31 0.00 0.71 0.00 0.00 54.79 56.14 3ipv n ASP 137 Cb 0.47 -1.51 0.16 0.00 -0.02 0.00 0.00 41.12 40.22 3ipv n ASP 137 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3ipv s PRO 138 N 0.86 1.06 0.00 -0.24 0.04 -1.26 -4.69 135.00 130.77 3ipv s PRO 138 Ca 0.75 1.44 0.00 0.00 0.04 0.00 0.00 61.00 63.23 3ipv s PRO 138 Cb -0.58 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.22 3ipv s PRO 138 CO 0.36 -2.56 0.66 -0.35 0.04 0.00 0.00 177.00 175.15 3ipv n PRO 139 N -4.18 0.85 -3.96 0.56 -0.04 -1.26 -4.73 135.00 122.24 3ipv n PRO 139 Ca 0.11 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.48 3ipv n PRO 139 Cb 0.52 -1.23 -0.09 0.00 -0.04 0.00 0.00 33.50 32.66 3ipv n PRO 139 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3ipv s TYR 140 N -0.37 0.28 0.45 0.54 -0.85 -1.26 -5.05 117.35 111.09 3ipv s TYR 140 Ca 0.00 -0.70 -0.25 0.00 -0.52 0.00 0.00 57.07 55.59 3ipv s TYR 140 Cb 0.00 -0.19 -0.09 0.00 0.38 0.00 0.00 41.96 42.06 3ipv s TYR 140 CO 0.00 -0.42 1.42 0.25 -1.52 0.00 0.00 175.55 175.28 3ipv n THR 141 N 0.31 2.74 -3.63 -3.49 -2.24 -1.26 -4.90 114.28 101.81 3ipv n THR 141 Ca -0.16 -0.50 -0.12 0.00 -2.27 0.00 0.00 64.05 61.00 3ipv n THR 141 Cb 0.60 -1.83 -0.05 0.00 -2.10 0.00 0.00 70.33 66.96 3ipv n THR 141 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3ipv s HIS 142 N -1.19 -0.26 0.04 4.78 -0.00 -0.74 -2.00 115.29 115.92 3ipv s HIS 142 Ca 0.61 0.08 -0.18 0.00 -0.00 0.00 0.00 55.06 55.58 3ipv s HIS 142 Cb -0.46 0.27 -0.06 0.00 -0.00 0.00 0.00 32.58 32.33 3ipv s HIS 142 CO 0.58 -0.66 0.51 0.42 -0.00 0.00 0.00 174.74 175.58 3ipv s ILE 143 N -3.22 4.86 0.07 -5.38 1.01 -0.49 -1.02 121.20 117.04 3ipv s ILE 143 Ca -0.01 1.07 -0.10 0.00 0.00 0.00 0.00 60.65 61.61 3ipv s ILE 143 Cb 0.01 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.65 3ipv s ILE 143 CO -0.08 0.56 0.21 -0.83 0.00 0.00 0.00 174.94 174.80 3ipv s GLY 144 N -1.04 0.03 -0.20 6.18 0.00 -0.85 -1.62 107.32 109.82 3ipv s GLY 144 Ca 0.27 -0.42 -0.04 0.00 0.00 0.00 0.00 44.72 44.52 3ipv s GLY 144 CO 0.17 -0.61 -0.02 -1.36 0.00 0.00 0.00 173.10 171.27 3ipv s PHE 145 N -3.33 3.00 -0.22 1.90 0.08 -0.79 -0.39 117.98 118.23 3ipv s PHE 145 Ca 0.01 -0.63 -0.00 0.00 0.12 0.00 0.00 56.93 56.43 3ipv s PHE 145 Cb 0.02 -2.08 0.02 0.00 -0.57 0.00 0.00 43.02 40.42 3ipv s PHE 145 CO -0.08 -0.35 -0.13 -0.51 -0.10 0.00 0.00 175.22 174.05 3ipv s ASP 146 N 1.14 3.80 -0.35 1.36 1.01 0.82 -0.39 116.67 124.06 3ipv s ASP 146 Ca 0.02 -0.80 0.03 0.00 0.71 0.00 0.00 52.55 52.52 3ipv s ASP 146 Cb -0.15 -1.57 0.10 0.00 1.01 0.00 0.00 42.92 42.31 3ipv s ASP 146 CO 0.00 -0.07 0.08 -0.69 0.21 0.00 0.00 175.17 174.70 3ipv s VAL 147 N 1.29 2.10 -1.70 -1.27 1.01 -1.26 0.34 120.40 120.91 3ipv s VAL 147 Ca 0.02 -2.30 0.00 0.00 0.00 0.00 0.00 61.98 59.69 3ipv s VAL 147 Cb -0.15 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.68 3ipv s VAL 147 CO -0.08 -0.63 0.00 0.59 0.00 0.00 0.00 175.10 174.98 3ipv n ASN 148 N 4.22 -4.88 -3.60 3.32 3.02 -0.04 -4.90 115.26 112.40 3ipv n ASN 148 Ca 0.03 0.26 -0.10 0.00 -0.03 0.00 0.00 54.58 54.75 3ipv n ASN 148 Cb 0.41 -4.24 -0.06 0.00 -0.61 0.00 0.00 39.78 35.28 3ipv n ASN 148 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3ipv s SER 149 N -2.28 -0.40 0.44 6.41 0.15 -1.26 -1.95 113.70 114.81 3ipv s SER 149 Ca 0.00 0.58 0.28 0.00 0.70 0.00 0.00 55.95 57.51 3ipv s SER 149 Cb 0.00 0.52 0.94 0.00 -1.71 0.00 0.00 66.02 65.77 3ipv s SER 149 CO 0.00 -0.27 1.81 -0.29 1.20 0.00 0.00 173.24 175.69 3ipv h ILE 150 N 2.97 0.00 -2.65 6.45 6.09 -1.81 -3.41 117.51 125.15 3ipv h ILE 150 Ca -0.22 -0.61 -0.55 0.00 -1.37 0.00 0.00 64.86 62.11 3ipv h ILE 150 Cb 1.17 1.57 -0.08 0.00 0.47 0.00 0.00 36.82 39.95 3ipv h ILE 150 CO 0.23 0.00 1.02 -0.44 -3.07 0.00 0.00 178.15 175.90 3ipv s SER 151 N -5.50 6.26 0.30 2.19 0.01 -1.26 -4.98 113.70 110.71 3ipv s SER 151 Ca 0.04 -0.27 -0.28 0.00 1.31 0.00 0.00 55.95 56.76 3ipv s SER 151 Cb 0.08 -2.56 -0.14 0.00 0.21 0.00 0.00 66.02 63.62 3ipv s SER 151 CO 0.56 -1.71 1.00 -1.20 0.41 0.00 0.00 173.24 172.30 3ipv n SER 152 N 9.03 1.26 0.18 2.44 7.64 -1.26 -4.80 113.62 128.11 3ipv n SER 152 Ca 0.05 1.17 0.02 0.00 1.01 0.00 0.00 58.87 61.12 3ipv n SER 152 Cb 0.49 -1.29 0.33 0.00 -1.01 0.00 0.00 64.21 62.73 3ipv n SER 152 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 3ipv h ILE 153 N 1.95 1.25 -2.60 0.44 3.07 -1.07 -3.45 117.51 117.10 3ipv h ILE 153 Ca -0.40 -1.45 -0.09 0.00 1.55 0.00 0.00 64.86 64.47 3ipv h ILE 153 Cb 1.34 1.79 -0.20 0.00 -0.27 0.00 0.00 36.82 39.48 3ipv h ILE 153 CO 0.60 0.41 -0.09 -0.75 -1.05 0.00 0.00 178.15 177.26 3ipv s LYS 154 N -4.03 0.78 0.15 0.16 2.20 -1.25 -5.01 119.74 112.74 3ipv s LYS 154 Ca -0.02 0.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.73 3ipv s LYS 154 Cb 0.14 0.36 -0.04 0.00 -1.51 0.00 0.00 37.83 36.77 3ipv s LYS 154 CO 0.73 -0.21 0.04 0.95 -0.36 0.00 0.00 175.35 176.50 3ipv s THR 155 N -0.95 0.34 0.04 3.43 -4.23 -1.26 -1.89 115.64 111.11 3ipv s THR 155 Ca -0.10 -1.94 -0.04 0.00 -1.18 0.00 0.00 61.69 58.43 3ipv s THR 155 Cb -0.03 -2.11 -0.02 0.00 1.34 0.00 0.00 72.50 71.68 3ipv s THR 155 CO 0.05 -0.44 0.06 0.54 -0.54 0.00 0.00 174.62 174.30 3ipv s VAL 156 N -3.89 0.14 0.39 2.29 0.11 -0.64 -5.00 120.40 113.80 3ipv s VAL 156 Ca 0.25 -1.19 -0.27 0.00 -2.93 0.00 0.00 61.98 57.84 3ipv s VAL 156 Cb 0.07 -0.93 -0.10 0.00 -1.53 0.00 0.00 36.38 33.89 3ipv s VAL 156 CO 0.03 -0.65 1.42 -0.75 -3.33 0.00 0.00 175.10 171.82 3ipv s LYS 157 N -2.71 4.03 -0.15 1.54 2.20 -1.26 -1.39 119.74 122.00 3ipv s LYS 157 Ca -0.04 2.43 -0.04 0.00 -0.36 0.00 0.00 55.97 57.96 3ipv s LYS 157 Cb -0.01 -2.88 0.06 0.00 -1.51 0.00 0.00 37.83 33.49 3ipv s LYS 157 CO -0.05 -0.54 0.12 -0.46 -0.36 0.00 0.00 175.35 174.05 3ipv s TRP 158 N -1.16 0.05 -0.60 4.03 -0.00 -0.85 -4.71 118.94 115.70 3ipv s TRP 158 Ca 0.55 -0.05 -0.22 0.00 -0.00 0.00 0.00 56.10 56.37 3ipv s TRP 158 Cb -0.44 -0.56 0.06 0.00 -0.00 0.00 0.00 33.47 32.53 3ipv s TRP 158 CO 0.58 -0.47 0.90 -1.12 -0.00 0.00 0.00 176.95 176.85 3ipv s SER 159 N 2.19 6.23 -0.04 5.86 0.01 -1.26 -4.13 113.70 122.57 3ipv s SER 159 Ca 0.03 -0.79 -0.33 0.00 1.31 0.00 0.00 55.95 56.18 3ipv s SER 159 Cb -0.15 -2.40 -0.11 0.00 0.21 0.00 0.00 66.02 63.57 3ipv s SER 159 CO -0.09 -1.28 1.90 -0.11 0.41 0.00 0.00 173.24 174.08 3ipv n LEU 160 N 7.36 3.69 -4.47 2.44 7.94 -1.26 -4.96 117.00 127.73 3ipv n LEU 160 Ca -0.03 0.95 -0.43 0.00 -1.11 0.00 0.00 56.01 55.39 3ipv n LEU 160 Cb 0.46 -1.43 -0.06 0.00 0.53 0.00 0.00 43.42 42.92 3ipv n LEU 160 CO 0.62 0.03 0.44 0.00 -1.11 0.00 0.00 177.39 177.38 3ipv s ALA 161 N 4.09 3.32 0.05 1.96 0.00 -1.26 -5.02 121.76 124.90 3ipv s ALA 161 Ca 0.91 -1.56 -0.30 0.00 0.00 0.00 0.00 51.96 51.01 3ipv s ALA 161 Cb -0.60 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 18.99 3ipv s ALA 161 CO 0.48 -2.08 1.85 1.21 0.00 0.00 0.00 175.76 177.22 3ipv s ASN 162 N 2.65 6.49 0.00 0.00 2.47 -1.26 -1.99 114.94 123.30 3ipv s ASN 162 Ca 0.20 2.61 0.00 0.00 0.42 0.00 0.00 52.86 56.09 3ipv s ASN 162 Cb -0.17 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 3ipv s ASN 162 CO 0.14 -1.00 0.00 0.61 -3.72 0.00 0.00 177.10 173.13 3ipv n GLY 163 N 4.34 1.14 3.91 1.21 0.00 -0.24 -4.98 105.19 110.58 3ipv n GLY 163 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3ipv n GLY 163 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ipv s GLU 164 N -0.13 3.45 0.10 1.61 0.41 -0.84 -4.88 118.70 118.41 3ipv s GLU 164 Ca 0.00 -0.32 -0.30 0.00 -0.41 0.00 0.00 54.97 53.94 3ipv s GLU 164 Cb 0.00 -3.09 -0.06 0.00 -1.78 0.00 0.00 34.13 29.20 3ipv s GLU 164 CO 0.00 0.66 1.12 0.00 -0.49 0.00 0.00 175.26 176.55 3ipv s ALA 165 N -1.35 3.34 -0.14 5.21 0.00 -1.26 -4.42 121.76 123.14 3ipv s ALA 165 Ca 0.28 0.78 -0.03 0.00 0.00 0.00 0.00 51.96 52.99 3ipv s ALA 165 Cb -0.13 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 3ipv s ALA 165 CO 0.20 -0.30 -0.06 0.00 0.00 0.00 0.00 175.76 175.60 3ipv s ALA 166 N 0.52 2.95 -0.27 0.00 0.00 0.44 -4.37 121.76 121.03 3ipv s ALA 166 Ca 0.54 -0.84 -0.11 0.00 0.00 0.00 0.00 51.96 51.55 3ipv s ALA 166 Cb -0.28 -1.46 -0.05 0.00 0.00 0.00 0.00 23.12 21.33 3ipv s ALA 166 CO 0.31 0.28 0.18 0.15 0.00 0.00 0.00 175.76 176.68 3ipv s LYS 167 N 0.18 3.98 -0.12 0.00 1.02 -0.07 -1.62 119.74 123.11 3ipv s LYS 167 Ca -0.03 -0.31 -0.02 0.00 0.02 0.00 0.00 55.97 55.63 3ipv s LYS 167 Cb -0.14 -3.62 -0.03 0.00 -0.52 0.00 0.00 37.83 33.52 3ipv s LYS 167 CO 0.03 -0.12 -0.04 0.08 -0.92 0.00 0.00 175.35 174.38 3ipv s VAL 168 N 1.57 3.89 -0.10 3.17 1.01 0.55 -0.98 120.40 129.50 3ipv s VAL 168 Ca 0.07 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.71 3ipv s VAL 168 Cb -0.15 -2.66 -0.00 0.00 0.00 0.00 0.00 36.38 33.57 3ipv s VAL 168 CO 0.09 0.55 -0.23 -0.22 0.00 0.00 0.00 175.10 175.29 3ipv s LEU 169 N -0.21 2.14 -0.08 3.92 2.96 -0.88 -1.81 118.68 124.73 3ipv s LEU 169 Ca 0.04 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.43 3ipv s LEU 169 Cb -0.13 -1.43 0.01 0.00 0.50 0.00 0.00 46.19 45.14 3ipv s LEU 169 CO 0.02 0.16 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.41 3ipv s ILE 170 N 0.37 1.53 0.05 6.68 1.01 0.54 -1.29 121.20 130.09 3ipv s ILE 170 Ca -0.18 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 59.79 3ipv s ILE 170 Cb -0.18 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 3ipv s ILE 170 CO 0.08 0.44 -0.11 0.42 0.00 0.00 0.00 174.94 175.78 3ipv s THR 171 N 0.46 0.80 -0.11 2.92 -4.23 0.16 -0.49 115.64 115.15 3ipv s THR 171 Ca -0.15 -1.08 -0.02 0.00 -1.18 0.00 0.00 61.69 59.27 3ipv s THR 171 Cb -0.16 -0.80 0.04 0.00 1.34 0.00 0.00 72.50 72.92 3ipv s THR 171 CO 0.06 -0.24 -0.00 -0.47 -0.54 0.00 0.00 174.62 173.43 3ipv s TYR 172 N -1.17 0.89 -0.30 3.99 5.04 -0.12 -0.74 117.35 124.93 3ipv s TYR 172 Ca -0.05 -0.44 -0.11 0.00 -2.44 0.00 0.00 57.07 54.04 3ipv s TYR 172 Cb -0.09 -0.93 -0.03 0.00 0.35 0.00 0.00 41.96 41.26 3ipv s TYR 172 CO 0.01 -0.43 0.18 1.21 -1.34 0.00 0.00 175.55 175.18 3ipv s ASN 173 N 1.90 5.82 0.31 4.32 3.84 -1.07 -2.22 114.94 127.84 3ipv s ASN 173 Ca 0.03 -0.22 0.14 0.00 0.21 0.00 0.00 52.86 53.01 3ipv s ASN 173 Cb -0.14 -2.08 0.49 0.00 -0.55 0.00 0.00 41.25 38.98 3ipv s ASN 173 CO -0.06 -0.12 1.67 0.77 -2.79 0.00 0.00 177.10 176.57 3ipv h SER 174 N 8.38 0.00 -0.36 -4.21 4.64 -1.86 0.88 113.55 121.02 3ipv h SER 174 Ca -0.34 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.91 3ipv h SER 174 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 3ipv h SER 174 CO 0.59 0.52 -0.04 0.00 -0.87 0.00 0.00 176.83 177.02 3ipv h ALA 175 N 1.48 0.49 0.00 5.18 0.00 -1.93 -3.15 119.26 121.34 3ipv h ALA 175 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3ipv h ALA 175 Cb 1.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3ipv h ALA 175 CO 0.07 0.30 -0.88 1.33 0.00 0.00 0.00 179.25 180.07 3ipv n VAL 176 N -4.44 0.13 -2.05 0.00 0.24 -1.16 -4.97 118.33 106.07 3ipv n VAL 176 Ca -0.02 -0.17 -0.21 0.00 -2.04 0.00 0.00 64.34 61.91 3ipv n VAL 176 Cb 0.31 0.27 -0.04 0.00 -1.47 0.00 0.00 33.84 32.91 3ipv n VAL 176 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3ipv n LYS 177 N -1.83 -1.59 -3.40 7.34 5.02 0.31 -4.95 118.16 119.06 3ipv n LYS 177 Ca 0.03 1.11 -0.41 0.00 -2.02 0.00 0.00 58.31 57.02 3ipv n LYS 177 Cb 0.40 -5.66 -0.09 0.00 -0.02 0.00 0.00 35.03 29.66 3ipv n LYS 177 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3ipv s LEU 178 N -5.48 4.48 -0.07 -0.35 2.96 -1.14 -1.38 118.68 117.70 3ipv s LEU 178 Ca 0.00 -0.28 -0.24 0.00 -0.22 0.00 0.00 54.13 53.39 3ipv s LEU 178 Cb 0.00 -2.33 -0.03 0.00 0.50 0.00 0.00 46.19 44.33 3ipv s LEU 178 CO 0.00 -0.35 0.73 -0.22 -1.32 0.00 0.00 176.35 175.19 3ipv s LEU 179 N 2.01 4.31 -0.03 -0.68 2.96 -0.15 -2.61 118.68 124.50 3ipv s LEU 179 Ca 0.11 1.23 0.05 0.00 -0.22 0.00 0.00 54.13 55.31 3ipv s LEU 179 Cb -0.17 -3.14 -0.01 0.00 0.50 0.00 0.00 46.19 43.38 3ipv s LEU 179 CO 0.12 -0.14 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.14 3ipv s VAL 180 N 0.89 1.40 -0.08 1.68 1.01 0.08 -1.22 120.40 124.17 3ipv s VAL 180 Ca 0.39 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3ipv s VAL 180 Cb -0.18 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.03 3ipv s VAL 180 CO 0.19 0.40 -0.11 0.00 0.00 0.00 0.00 175.10 175.58 3ipv s ALA 181 N -0.19 1.24 0.11 5.51 0.00 -0.12 -0.67 121.76 127.65 3ipv s ALA 181 Ca 0.02 -0.43 0.10 0.00 0.00 0.00 0.00 51.96 51.65 3ipv s ALA 181 Cb -0.09 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 3ipv s ALA 181 CO 0.01 -0.03 -0.26 -1.54 0.00 0.00 0.00 175.76 173.94 3ipv s SER 182 N 0.95 3.15 -0.01 0.00 1.04 -0.41 -1.11 113.70 117.30 3ipv s SER 182 Ca -0.09 -0.71 0.01 0.00 0.48 0.00 0.00 55.95 55.63 3ipv s SER 182 Cb -0.15 -0.21 0.01 0.00 0.10 0.00 0.00 66.02 65.77 3ipv s SER 182 CO 0.00 0.17 -0.02 -0.22 0.98 0.00 0.00 173.24 174.16 3ipv s LEU 183 N -1.90 1.68 -0.01 2.42 0.20 -0.42 -2.06 118.68 118.58 3ipv s LEU 183 Ca 0.12 -0.04 0.02 0.00 0.69 0.00 0.00 54.13 54.92 3ipv s LEU 183 Cb -0.10 -0.16 0.00 0.00 -0.43 0.00 0.00 46.19 45.50 3ipv s LEU 183 CO 0.05 -0.02 -0.05 -0.69 -0.29 0.00 0.00 176.35 175.35 3ipv s VAL 184 N 0.35 0.45 -0.51 1.68 1.01 -0.16 -1.90 120.40 121.33 3ipv s VAL 184 Ca -0.03 -0.21 -0.15 0.00 0.00 0.00 0.00 61.98 61.59 3ipv s VAL 184 Cb -0.06 -0.41 0.11 0.00 0.00 0.00 0.00 36.38 36.03 3ipv s VAL 184 CO -0.01 0.14 0.45 -0.31 0.00 0.00 0.00 175.10 175.37 3ipv s TYR 185 N 0.09 3.28 0.28 5.22 2.02 -0.34 -0.90 117.35 127.00 3ipv s TYR 185 Ca -0.01 -1.29 0.02 0.00 -0.37 0.00 0.00 57.07 55.42 3ipv s TYR 185 Cb -0.05 -3.58 0.61 0.00 -0.40 0.00 0.00 41.96 38.54 3ipv s TYR 185 CO -0.00 -0.96 1.77 -1.35 -1.57 0.00 0.00 175.55 173.44 3ipv h PRO 186 N 8.78 0.69 -0.40 -1.71 0.11 -1.86 0.73 132.00 138.34 3ipv h PRO 186 Ca -0.28 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 3ipv h PRO 186 Cb 1.10 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 3ipv h PRO 186 CO 0.97 0.46 0.22 0.66 -0.21 0.00 0.00 178.00 180.10 3ipv h SER 187 N 0.71 0.49 0.51 -2.05 4.64 -1.93 -3.16 113.55 112.77 3ipv h SER 187 Ca 0.51 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3ipv h SER 187 Cb 0.73 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3ipv h SER 187 CO -0.36 0.43 -0.94 -1.20 -0.87 0.00 0.00 176.83 173.89 3ipv n SER 188 N -4.74 0.63 -1.80 4.97 7.64 -0.91 -4.97 113.62 114.43 3ipv n SER 188 Ca 0.00 -0.15 -0.20 0.00 1.01 0.00 0.00 58.87 59.54 3ipv n SER 188 Cb 0.07 0.67 -0.06 0.00 -1.01 0.00 0.00 64.21 63.88 3ipv n SER 188 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ipv n LYS 189 N -1.98 -1.45 -3.77 1.43 5.02 0.25 -5.01 118.16 112.65 3ipv n LYS 189 Ca 0.02 1.10 -0.28 0.00 -2.02 0.00 0.00 58.31 57.14 3ipv n LYS 189 Cb 0.43 -5.54 -0.03 0.00 -0.02 0.00 0.00 35.03 29.87 3ipv n LYS 189 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3ipv s THR 190 N -2.83 5.25 0.05 -0.18 -4.23 -1.21 -4.94 115.64 107.55 3ipv s THR 190 Ca 0.00 -0.42 -0.17 0.00 -1.18 0.00 0.00 61.69 59.93 3ipv s THR 190 Cb 0.00 -3.72 0.03 0.00 1.34 0.00 0.00 72.50 70.15 3ipv s THR 190 CO 0.00 -0.11 0.39 -0.94 -0.54 0.00 0.00 174.62 173.42 3ipv s SER 191 N -3.07 -0.24 -0.12 3.99 1.04 -1.26 -1.20 113.70 112.84 3ipv s SER 191 Ca 0.37 -0.07 -0.16 0.00 0.48 0.00 0.00 55.95 56.57 3ipv s SER 191 Cb -0.11 0.41 0.04 0.00 0.10 0.00 0.00 66.02 66.46 3ipv s SER 191 CO 0.28 -0.67 0.41 -0.36 0.98 0.00 0.00 173.24 173.88 3ipv s PHE 192 N -2.63 -0.40 0.08 5.02 0.08 -0.80 -4.99 117.98 114.34 3ipv s PHE 192 Ca -0.04 0.91 -0.16 0.00 0.12 0.00 0.00 56.93 57.76 3ipv s PHE 192 Cb -0.01 0.16 0.03 0.00 -0.57 0.00 0.00 43.02 42.63 3ipv s PHE 192 CO -0.04 -0.29 0.38 -1.50 -0.10 0.00 0.00 175.22 173.67 3ipv s ILE 193 N -0.25 0.07 -0.18 0.64 2.07 -1.26 -1.31 121.20 120.99 3ipv s ILE 193 Ca -0.04 -0.59 -0.15 0.00 -1.41 0.00 0.00 60.65 58.46 3ipv s ILE 193 Cb -0.03 -1.06 0.05 0.00 0.13 0.00 0.00 42.46 41.54 3ipv s ILE 193 CO 0.02 -0.32 0.47 -0.22 -1.91 0.00 0.00 174.94 172.98 3ipv s LEU 194 N -2.39 0.05 0.01 8.50 2.96 -0.27 -4.92 118.68 122.62 3ipv s LEU 194 Ca -0.01 0.98 0.01 0.00 -0.22 0.00 0.00 54.13 54.88 3ipv s LEU 194 Cb 0.01 1.61 -0.01 0.00 0.50 0.00 0.00 46.19 48.30 3ipv s LEU 194 CO -0.07 -0.18 -0.03 0.00 -1.32 0.00 0.00 176.35 174.75 3ipv s ALA 195 N 0.60 0.25 0.09 5.97 0.00 -1.26 -0.95 121.76 126.46 3ipv s ALA 195 Ca -0.03 -0.26 -0.22 0.00 0.00 0.00 0.00 51.96 51.46 3ipv s ALA 195 Cb -0.05 -0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.11 3ipv s ALA 195 CO -0.04 0.02 0.52 0.34 0.00 0.00 0.00 175.76 176.60 3ipv s ASP 196 N -0.43 -0.44 -0.05 0.00 2.15 -0.35 -5.01 116.67 112.54 3ipv s ASP 196 Ca -0.02 0.05 -0.27 0.00 0.43 0.00 0.00 52.55 52.74 3ipv s ASP 196 Cb -0.03 0.52 -0.03 0.00 -0.30 0.00 0.00 42.92 43.07 3ipv s ASP 196 CO -0.00 -0.81 0.86 -0.63 -0.17 0.00 0.00 175.17 174.42 3ipv s ILE 197 N -3.00 4.94 -0.05 4.11 -1.09 -1.26 -0.98 121.20 123.86 3ipv s ILE 197 Ca -0.02 1.78 0.01 0.00 -2.23 0.00 0.00 60.65 60.19 3ipv s ILE 197 Cb -0.00 -4.19 0.02 0.00 -1.58 0.00 0.00 42.46 36.70 3ipv s ILE 197 CO -0.06 0.17 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.07 3ipv s VAL 198 N 1.09 0.70 -0.72 2.92 1.01 -0.48 -4.95 120.40 119.97 3ipv s VAL 198 Ca 0.45 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 62.02 3ipv s VAL 198 Cb -0.19 -0.70 0.10 0.00 0.00 0.00 0.00 36.38 35.59 3ipv s VAL 198 CO 0.22 0.27 0.94 -0.62 0.00 0.00 0.00 175.10 175.90 3ipv s ASP 199 N 0.96 6.33 0.18 3.32 -1.08 -1.26 -4.73 116.67 120.39 3ipv s ASP 199 Ca -0.10 -1.47 -0.12 0.00 -0.52 0.00 0.00 52.55 50.34 3ipv s ASP 199 Cb -0.14 -2.38 0.10 0.00 -1.46 0.00 0.00 42.92 39.04 3ipv s ASP 199 CO 0.00 -1.22 1.82 -0.07 0.52 0.00 0.00 175.17 176.22 3ipv h LEU 200 N 10.60 0.75 -1.90 -1.34 4.07 -1.98 -2.88 115.31 122.64 3ipv h LEU 200 Ca -0.15 -0.07 0.23 0.00 0.08 0.00 0.00 57.88 57.97 3ipv h LEU 200 Cb 1.06 -0.19 -0.04 0.00 1.08 0.00 0.00 40.66 42.57 3ipv h LEU 200 CO 1.13 0.60 0.59 -1.28 -1.08 0.00 0.00 178.44 178.39 3ipv h SER 201 N 0.84 0.09 0.88 -0.43 0.87 -1.91 0.20 113.55 114.09 3ipv h SER 201 Ca 0.22 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 3ipv h SER 201 Cb -0.01 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 3ipv h SER 201 CO -0.04 0.03 -0.77 0.77 -0.53 0.00 0.00 176.83 176.29 3ipv h SER 202 N 0.08 0.00 0.00 6.23 4.64 -1.94 -3.41 113.55 119.15 3ipv h SER 202 Ca 0.40 -0.16 -0.21 0.00 -0.47 0.00 0.00 61.79 61.35 3ipv h SER 202 Cb 1.47 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.52 3ipv h SER 202 CO -0.04 0.08 -1.81 1.33 -0.87 0.00 0.00 176.83 175.52 3ipv n VAL 203 N -2.29 0.81 -3.77 0.95 0.24 0.45 -5.03 118.33 109.70 3ipv n VAL 203 Ca 0.02 -0.36 -0.28 0.00 -2.04 0.00 0.00 64.34 61.68 3ipv n VAL 203 Cb 0.47 -0.92 -0.03 0.00 -1.47 0.00 0.00 33.84 31.89 3ipv n VAL 203 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3ipv s LEU 204 N -5.56 4.26 0.90 1.34 1.43 0.32 -4.20 118.68 117.18 3ipv s LEU 204 Ca -0.16 0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 53.18 3ipv s LEU 204 Cb 0.05 -3.10 0.13 0.00 0.03 0.00 0.00 46.19 43.29 3ipv s LEU 204 CO 0.37 -0.00 1.09 -2.16 0.23 0.00 0.00 176.35 175.88 3ipv s PRO 205 N -3.21 1.20 0.59 1.29 0.05 -1.26 -4.77 135.00 128.89 3ipv s PRO 205 Ca 0.37 0.73 0.29 0.00 0.05 0.00 0.00 61.00 62.44 3ipv s PRO 205 Cb -0.11 -1.81 1.74 0.00 0.05 0.00 0.00 34.50 34.37 3ipv s PRO 205 CO 0.29 -2.26 2.20 0.93 0.05 0.00 0.00 177.00 178.21 3ipv h GLU 206 N -1.56 0.00 -5.81 4.56 5.08 -1.95 -3.41 114.58 111.48 3ipv h GLU 206 Ca -0.50 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.21 3ipv h GLU 206 Cb 1.29 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.23 3ipv h GLU 206 CO 0.56 0.00 -0.87 -1.58 -1.00 0.00 0.00 179.01 176.12 3ipv s TRP 207 N -4.65 2.19 0.13 4.33 0.52 -1.26 0.41 118.94 120.61 3ipv s TRP 207 Ca -0.05 -0.63 -0.04 0.00 0.02 0.00 0.00 56.10 55.40 3ipv s TRP 207 Cb 0.15 -1.44 -0.03 0.00 -1.15 0.00 0.00 33.47 31.00 3ipv s TRP 207 CO 0.55 -0.19 0.13 0.14 0.02 0.00 0.00 176.95 177.60 3ipv s VAL 208 N -0.13 0.10 0.23 4.03 -7.23 -0.71 -4.11 120.40 112.58 3ipv s VAL 208 Ca -0.03 -1.69 0.09 0.00 -1.81 0.00 0.00 61.98 58.54 3ipv s VAL 208 Cb -0.13 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 3ipv s VAL 208 CO 0.03 -0.47 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.21 3ipv s ARG 209 N -4.00 2.31 0.13 4.82 0.52 -0.65 -0.01 118.95 122.07 3ipv s ARG 209 Ca 0.19 -1.30 0.06 0.00 -0.52 0.00 0.00 55.73 54.16 3ipv s ARG 209 Cb 0.06 -2.23 -0.04 0.00 0.52 0.00 0.00 34.95 33.26 3ipv s ARG 209 CO -0.01 0.40 -0.13 0.14 0.02 0.00 0.00 175.30 175.73 3ipv s VAL 210 N -2.06 1.29 -2.40 3.52 -7.23 -1.26 -1.99 120.40 110.27 3ipv s VAL 210 Ca 0.29 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 3ipv s VAL 210 Cb -0.08 -1.62 0.00 0.00 0.56 0.00 0.00 36.38 35.25 3ipv s VAL 210 CO 0.19 -0.51 0.00 0.61 -0.31 0.00 0.00 175.10 175.08 3ipv n GLY 211 N 0.32 -0.66 3.28 2.32 0.00 -0.78 -1.15 105.19 108.52 3ipv n GLY 211 Ca -0.14 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 3ipv n GLY 211 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ipv s PHE 212 N -4.00 1.88 0.01 1.61 0.08 0.07 -0.74 117.98 116.89 3ipv s PHE 212 Ca 0.00 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 56.68 3ipv s PHE 212 Cb 0.00 -1.09 -0.01 0.00 -0.57 0.00 0.00 43.02 41.35 3ipv s PHE 212 CO 0.00 0.14 -0.05 0.45 -0.10 0.00 0.00 175.22 175.66 3ipv s SER 213 N -1.42 0.58 0.06 1.36 0.15 0.12 -1.93 113.70 112.62 3ipv s SER 213 Ca 0.08 -0.24 -0.14 0.00 0.70 0.00 0.00 55.95 56.35 3ipv s SER 213 Cb -0.09 -0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.22 3ipv s SER 213 CO 0.03 -0.04 0.32 0.00 1.20 0.00 0.00 173.24 174.74 3ipv s ALA 214 N -0.55 -0.72 -0.11 5.45 0.00 -0.27 -0.75 121.76 124.81 3ipv s ALA 214 Ca -0.03 -0.00 -0.10 0.00 0.00 0.00 0.00 51.96 51.82 3ipv s ALA 214 Cb -0.05 0.37 0.03 0.00 0.00 0.00 0.00 23.12 23.48 3ipv s ALA 214 CO -0.00 -0.45 0.30 0.00 0.00 0.00 0.00 175.76 175.61 3ipv s ALA 215 N -2.77 -0.74 0.53 0.00 0.00 -1.06 -1.07 121.76 116.66 3ipv s ALA 215 Ca -0.03 0.82 0.08 0.00 0.00 0.00 0.00 51.96 52.83 3ipv s ALA 215 Cb -0.00 -0.47 0.06 0.00 0.00 0.00 0.00 23.12 22.71 3ipv s ALA 215 CO -0.05 -0.14 0.73 0.95 0.00 0.00 0.00 175.76 177.25 3ipv s THR 216 N 0.11 2.44 0.66 0.00 -4.23 -0.19 0.08 115.64 114.51 3ipv s THR 216 Ca -0.00 -0.97 -0.13 0.00 -1.18 0.00 0.00 61.69 59.41 3ipv s THR 216 Cb -0.02 -2.47 -0.01 0.00 1.34 0.00 0.00 72.50 71.34 3ipv s THR 216 CO 0.01 0.00 1.06 -0.83 -0.54 0.00 0.00 174.62 174.32 3ipv s GLY 217 N -4.56 1.84 0.33 3.99 0.00 -0.10 -4.23 107.32 104.60 3ipv s GLY 217 Ca 0.60 0.22 0.16 0.00 0.00 0.00 0.00 44.72 45.69 3ipv s GLY 217 CO 0.37 0.53 1.66 0.00 0.00 0.00 0.00 173.10 175.67 3ipv h ALA 218 N -0.31 0.94 -2.76 3.20 0.00 -1.96 0.09 119.26 118.46 3ipv h ALA 218 Ca -0.45 -0.43 -0.66 0.00 0.00 0.00 0.00 54.91 53.37 3ipv h ALA 218 Cb 1.22 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 3ipv h ALA 218 CO 0.57 0.59 -0.49 -1.12 0.00 0.00 0.00 179.25 178.80 3ipv s SER 219 N -6.56 6.32 0.53 0.00 0.01 -1.26 -4.63 113.70 108.11 3ipv s SER 219 Ca 0.00 0.42 -0.22 0.00 1.31 0.00 0.00 55.95 57.46 3ipv s SER 219 Cb 0.11 -2.05 -0.06 0.00 0.21 0.00 0.00 66.02 64.23 3ipv s SER 219 CO 0.72 0.38 1.38 -0.83 0.41 0.00 0.00 173.24 175.29 3ipv s GLY 220 N -0.82 2.90 0.00 3.44 0.00 -1.26 -2.08 107.32 109.50 3ipv s GLY 220 Ca 0.14 1.38 0.00 0.00 0.00 0.00 0.00 44.72 46.24 3ipv s GLY 220 CO 0.03 1.93 0.00 0.61 0.00 0.00 0.00 173.10 175.67 3ipv n GLY 221 N 0.70 2.82 3.44 0.20 0.00 -1.26 -4.96 105.19 106.14 3ipv n GLY 221 Ca 0.09 -0.16 -0.44 0.00 0.00 0.00 0.00 46.02 45.52 3ipv n GLY 221 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ipv n LYS 222 N 0.00 3.33 -3.98 1.61 4.76 -0.88 -4.62 118.16 118.38 3ipv n LYS 222 Ca 0.00 -3.67 -0.10 0.00 -2.87 0.00 0.00 58.31 51.66 3ipv n LYS 222 Cb 0.00 -3.15 -0.12 0.00 -1.84 0.00 0.00 35.03 29.92 3ipv n LYS 222 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3ipv s ILE 223 N 2.16 0.16 0.06 -0.18 -4.36 -1.20 -0.92 121.20 116.92 3ipv s ILE 223 Ca 0.45 -0.73 -0.26 0.00 -0.26 0.00 0.00 60.65 59.85 3ipv s ILE 223 Cb -0.00 -0.26 0.09 0.00 1.25 0.00 0.00 42.46 43.53 3ipv s ILE 223 CO 0.02 -0.36 0.76 -1.83 0.24 0.00 0.00 174.94 173.77 3ipv s GLU 224 N -1.14 1.02 0.59 0.37 -1.05 -1.26 -4.53 118.70 112.70 3ipv s GLU 224 Ca -0.11 -0.34 -0.05 0.00 -0.15 0.00 0.00 54.97 54.32 3ipv s GLU 224 Cb -0.08 0.47 0.02 0.00 -0.44 0.00 0.00 34.13 34.10 3ipv s GLU 224 CO -0.01 -0.44 0.89 0.95 0.95 0.00 0.00 175.26 177.60 3ipv s THR 225 N -3.25 3.42 -0.41 1.83 -4.23 -0.28 -4.76 115.64 107.96 3ipv s THR 225 Ca 0.02 -0.13 0.06 0.00 -1.18 0.00 0.00 61.69 60.46 3ipv s THR 225 Cb -0.01 -3.36 0.20 0.00 1.34 0.00 0.00 72.50 70.67 3ipv s THR 225 CO -0.10 -0.35 0.43 1.41 -0.54 0.00 0.00 174.62 175.47 3ipv n HIS 226 N -2.57 -0.86 -3.49 3.99 -0.00 -1.26 -3.81 115.22 107.21 3ipv n HIS 226 Ca 0.05 -3.31 -0.38 0.00 -0.00 0.00 0.00 57.72 54.08 3ipv n HIS 226 Cb 0.58 0.10 -0.10 0.00 -0.00 0.00 0.00 29.99 30.57 3ipv n HIS 226 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3ipv s ASP 227 N -0.42 6.18 -0.18 0.41 1.01 -0.61 -2.11 116.67 120.95 3ipv s ASP 227 Ca 0.34 0.19 -0.06 0.00 0.71 0.00 0.00 52.55 53.73 3ipv s ASP 227 Cb 0.09 -2.17 -0.04 0.00 1.01 0.00 0.00 42.92 41.82 3ipv s ASP 227 CO -0.16 -0.09 0.03 -0.69 0.21 0.00 0.00 175.17 174.47 3ipv s VAL 228 N 1.74 4.50 -0.15 -1.27 1.01 0.93 -0.84 120.40 126.32 3ipv s VAL 228 Ca 0.12 -0.14 0.18 0.00 0.00 0.00 0.00 61.98 62.14 3ipv s VAL 228 Cb -0.15 -3.01 -0.26 0.00 0.00 0.00 0.00 36.38 32.95 3ipv s VAL 228 CO 0.09 0.47 0.23 0.49 0.00 0.00 0.00 175.10 176.38 3ipv n PHE 229 N 3.59 0.12 -3.46 5.22 3.72 0.04 -1.48 117.46 125.22 3ipv n PHE 229 Ca -0.17 0.04 -0.10 0.00 -0.05 0.00 0.00 57.45 57.17 3ipv n PHE 229 Cb 0.52 -0.92 -0.02 0.00 -0.94 0.00 0.00 39.48 38.12 3ipv n PHE 229 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3ipv s SER 230 N -5.36 -0.48 -0.29 4.37 1.04 -1.22 -4.14 113.70 107.62 3ipv s SER 230 Ca -0.09 0.01 -0.14 0.00 0.48 0.00 0.00 55.95 56.21 3ipv s SER 230 Cb 0.08 0.50 0.11 0.00 0.10 0.00 0.00 66.02 66.81 3ipv s SER 230 CO 0.84 -0.81 0.70 0.86 0.98 0.00 0.00 173.24 175.81 3ipv s TRP 231 N -3.44 -1.14 0.11 5.02 -0.00 0.06 -2.41 118.94 117.14 3ipv s TRP 231 Ca 0.03 2.13 0.06 0.00 -0.00 0.00 0.00 56.10 58.32 3ipv s TRP 231 Cb -0.01 0.68 -0.04 0.00 -0.00 0.00 0.00 33.47 34.11 3ipv s TRP 231 CO -0.11 -0.57 -0.14 -1.54 -0.00 0.00 0.00 176.95 174.59 3ipv s SER 232 N 2.16 1.97 -0.02 5.86 1.04 -0.11 0.12 113.70 124.71 3ipv s SER 232 Ca -0.08 -0.77 -0.05 0.00 0.48 0.00 0.00 55.95 55.54 3ipv s SER 232 Cb -0.08 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.98 3ipv s SER 232 CO -0.19 -0.12 0.11 0.12 0.98 0.00 0.00 173.24 174.13 3ipv s PHE 233 N -1.92 -0.03 -0.12 5.02 5.36 -0.07 -1.56 117.98 124.66 3ipv s PHE 233 Ca 0.07 0.07 -0.09 0.00 -0.96 0.00 0.00 56.93 56.01 3ipv s PHE 233 Cb -0.06 -0.01 0.04 0.00 -0.34 0.00 0.00 43.02 42.64 3ipv s PHE 233 CO 0.03 -0.15 0.31 0.00 -1.46 0.00 0.00 175.22 173.94 3ipv s ALA 234 N -0.59 -0.75 0.13 11.12 0.00 -0.58 -1.34 121.76 129.75 3ipv s ALA 234 Ca -0.07 0.98 0.04 0.00 0.00 0.00 0.00 51.96 52.91 3ipv s ALA 234 Cb -0.04 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 3ipv s ALA 234 CO 0.00 -0.17 -0.10 -1.54 0.00 0.00 0.00 175.76 173.95 3ipv s SER 235 N 0.57 1.63 -0.25 0.00 1.04 -0.27 -1.09 113.70 115.34 3ipv s SER 235 Ca -0.03 -0.96 -0.03 0.00 0.48 0.00 0.00 55.95 55.40 3ipv s SER 235 Cb -0.05 0.01 0.14 0.00 0.10 0.00 0.00 66.02 66.21 3ipv s SER 235 CO -0.03 -0.33 0.44 -0.75 0.98 0.00 0.00 173.24 173.55 3ipv s LYS 236 N -3.51 0.39 -0.31 4.02 2.20 -0.17 -3.14 119.74 119.22 3ipv s LYS 236 Ca 0.13 0.76 -0.04 0.00 -0.36 0.00 0.00 55.97 56.46 3ipv s LYS 236 Cb 0.01 -0.08 0.04 0.00 -1.51 0.00 0.00 37.83 36.30 3ipv s LYS 236 CO -0.00 -0.55 0.05 -1.17 -0.36 0.00 0.00 175.35 173.32 3ipv s LEU 237 N 2.63 4.04 0.30 5.43 2.96 -0.35 -1.75 118.68 131.94 3ipv s LEU 237 Ca 0.11 -1.16 -0.18 0.00 -0.22 0.00 0.00 54.13 52.68 3ipv s LEU 237 Cb -0.15 -1.79 -0.09 0.00 0.50 0.00 0.00 46.19 44.67 3ipv s LEU 237 CO -0.16 -0.28 0.77 0.00 -1.32 0.00 0.00 176.35 175.35 3ipv s ALA 238 N 1.34 3.32 -2.29 5.97 0.00 -1.26 -0.80 121.76 128.03 3ipv s ALA 238 Ca -0.03 0.15 0.29 0.00 0.00 0.00 0.00 51.96 52.37 3ipv s ALA 238 Cb -0.19 -2.85 1.40 0.00 0.00 0.00 0.00 23.12 21.47 3ipv s ALA 238 CO 0.01 0.30 1.94 0.41 0.00 0.00 0.00 175.76 178.42 3ipv n GLY 239 N 0.03 -0.41 3.20 0.00 0.00 -1.26 -4.85 105.19 101.90 3ipv n GLY 239 Ca 0.02 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 3ipv n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ipv s THR 242 N -2.00 1.63 -0.50 2.61 -4.23 -1.26 -5.09 115.64 106.81 3ipv s THR 242 Ca 0.42 -0.85 -0.28 0.00 -1.18 0.00 0.00 61.69 59.79 3ipv s THR 242 Cb 0.21 -1.37 0.02 0.00 1.34 0.00 0.00 72.50 72.70 3ipv s THR 242 CO 0.35 0.46 1.32 -0.75 -0.54 0.00 0.00 174.62 175.46 3ipv s LYS 243 N -0.23 3.51 0.06 3.99 2.47 -1.26 -4.88 119.74 123.41 3ipv s LYS 243 Ca 0.01 0.61 -0.09 0.00 -1.56 0.00 0.00 55.97 54.95 3ipv s LYS 243 Cb -0.10 -4.03 -0.29 0.00 -1.46 0.00 0.00 37.83 31.94 3ipv s LYS 243 CO 0.01 -1.66 1.11 0.22 0.16 0.00 0.00 175.35 175.19 3ipv h ASP 244 N 10.35 0.60 -0.62 1.43 1.82 -2.02 0.40 116.42 128.37 3ipv h ASP 244 Ca -0.26 -0.62 -0.05 0.00 -0.39 0.00 0.00 57.03 55.71 3ipv h ASP 244 Cb 1.08 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 40.88 3ipv h ASP 244 CO 1.14 1.48 0.18 0.77 -1.61 0.00 0.00 179.24 181.20 3ipv h SER 245 N 0.12 0.92 0.20 2.28 4.64 -2.00 0.34 113.55 120.05 3ipv h SER 245 Ca -0.17 -0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 60.89 3ipv h SER 245 Cb 2.00 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 63.85 3ipv h SER 245 CO 0.23 0.89 -0.21 0.28 -0.87 0.00 0.00 176.83 177.15 3ipv h SER 246 N 0.90 0.01 0.12 4.97 0.02 -1.93 -2.30 113.55 115.34 3ipv h SER 246 Ca 0.20 -0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.99 3ipv h SER 246 Cb 0.31 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3ipv h SER 246 CO -0.00 0.22 -0.59 0.15 -1.14 0.00 0.00 176.83 175.47 3ipv h PHE 247 N 0.01 0.61 0.43 3.45 3.57 0.21 -0.51 116.94 124.71 3ipv h PHE 247 Ca 0.00 -0.22 -0.02 0.00 3.53 0.00 0.00 57.97 61.25 3ipv h PHE 247 Cb 0.38 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.01 3ipv h PHE 247 CO 0.00 0.94 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.75 3ipv h LEU 248 N 0.36 -0.49 -0.49 0.59 3.38 -0.36 -3.23 115.31 115.07 3ipv h LEU 248 Ca -0.00 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 57.92 3ipv h LEU 248 Cb 1.12 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 3ipv h LEU 248 CO 0.11 -0.15 0.21 -0.78 0.09 0.00 0.00 178.44 177.92 3ipv h ASP 249 N -0.86 0.27 0.00 -0.43 3.58 -1.45 -3.42 116.42 114.10 3ipv h ASP 249 Ca -0.06 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.43 3ipv h ASP 249 Cb 0.56 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.61 3ipv h ASP 249 CO 0.10 0.19 0.00 0.61 -2.88 0.00 0.00 179.24 177.26 3ipv n GLY 250 N -1.25 1.04 1.55 -0.78 0.00 -0.21 -5.10 105.19 100.44 3ipv n GLY 250 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3ipv n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93