#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 4.08 0.04 0.00 0.41 -0.06 -4.94 118.70 118.23 3ipv s GLU 2 Ca 0.00 -0.08 0.02 0.00 -0.41 0.00 0.00 54.97 54.50 3ipv s GLU 2 Cb 0.00 -3.57 -0.02 0.00 -1.78 0.00 0.00 34.13 28.75 3ipv s GLU 2 CO 0.00 -0.06 -0.08 -1.21 -0.49 0.00 0.00 175.26 173.43 3ipv s GLU 3 N 1.40 0.54 -0.01 1.61 2.02 -1.26 -0.87 118.70 122.13 3ipv s GLU 3 Ca 0.12 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.33 3ipv s GLU 3 Cb -0.15 -0.27 0.02 0.00 0.10 0.00 0.00 34.13 33.83 3ipv s GLU 3 CO 0.07 0.04 0.01 0.99 0.02 0.00 0.00 175.26 176.39 3ipv s THR 4 N -1.52 0.06 0.12 3.63 2.01 -1.17 -5.01 115.64 113.75 3ipv s THR 4 Ca -0.09 0.07 -0.14 0.00 0.31 0.00 0.00 61.69 61.84 3ipv s THR 4 Cb -0.09 -0.12 0.03 0.00 0.01 0.00 0.00 72.50 72.32 3ipv s THR 4 CO 0.00 0.07 0.35 -0.94 -0.69 0.00 0.00 174.62 173.41 3ipv s SER 5 N 0.56 -0.15 0.16 3.53 1.04 -1.26 -1.01 113.70 116.57 3ipv s SER 5 Ca -0.05 -0.40 -0.21 0.00 0.48 0.00 0.00 55.95 55.77 3ipv s SER 5 Cb -0.07 0.44 0.06 0.00 0.10 0.00 0.00 66.02 66.54 3ipv s SER 5 CO -0.01 -0.83 0.55 0.72 0.98 0.00 0.00 173.24 174.65 3ipv s PHE 6 N -3.82 -0.41 -0.02 5.02 -0.12 -0.24 -5.00 117.98 113.39 3ipv s PHE 6 Ca 0.03 0.16 0.00 0.00 -0.05 0.00 0.00 56.93 57.07 3ipv s PHE 6 Cb 0.03 0.48 0.02 0.00 -0.63 0.00 0.00 43.02 42.91 3ipv s PHE 6 CO -0.12 -0.83 0.00 0.08 -0.05 0.00 0.00 175.22 174.30 3ipv s VAL 7 N -3.78 0.07 -0.40 -2.49 1.01 -1.26 -1.36 120.40 112.20 3ipv s VAL 7 Ca 0.02 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.09 3ipv s VAL 7 Cb -0.00 -0.14 0.11 0.00 0.00 0.00 0.00 36.38 36.34 3ipv s VAL 7 CO -0.11 0.08 0.14 -0.36 0.00 0.00 0.00 175.10 174.85 3ipv s PHE 8 N 0.62 3.63 -0.42 5.22 0.08 -0.03 -4.92 117.98 122.16 3ipv s PHE 8 Ca -0.06 -2.85 0.26 0.00 0.12 0.00 0.00 56.93 54.41 3ipv s PHE 8 Cb -0.08 -3.02 0.97 0.00 -0.57 0.00 0.00 43.02 40.32 3ipv s PHE 8 CO -0.01 -0.92 1.77 1.03 -0.10 0.00 0.00 175.22 176.99 3ipv h SER 9 N 7.56 0.00 -5.26 1.36 0.87 -1.90 -1.56 113.55 114.62 3ipv h SER 9 Ca -0.07 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.39 3ipv h SER 9 Cb 1.01 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.90 3ipv h SER 9 CO 0.60 0.00 -0.05 -1.59 -0.53 0.00 0.00 176.83 175.26 3ipv s LYS 10 N -3.33 1.76 0.30 2.24 -2.85 -1.26 -4.60 119.74 112.00 3ipv s LYS 10 Ca 0.05 -1.39 0.08 0.00 -1.00 0.00 0.00 55.97 53.72 3ipv s LYS 10 Cb 0.10 0.50 -0.04 0.00 -2.06 0.00 0.00 37.83 36.32 3ipv s LYS 10 CO 0.49 -0.76 0.13 -0.06 0.10 0.00 0.00 175.35 175.25 3ipv s PHE 11 N -3.51 2.80 0.02 1.78 0.08 -0.63 -4.98 117.98 113.55 3ipv s PHE 11 Ca 0.23 -0.27 0.05 0.00 0.12 0.00 0.00 56.93 57.05 3ipv s PHE 11 Cb -0.02 -1.48 -0.02 0.00 -0.57 0.00 0.00 43.02 40.94 3ipv s PHE 11 CO 0.12 0.44 -0.16 0.15 -0.10 0.00 0.00 175.22 175.68 3ipv s LYS 12 N -3.81 1.12 0.44 0.44 1.02 -1.26 -4.17 119.74 113.52 3ipv s LYS 12 Ca 0.35 -0.70 0.19 0.00 0.02 0.00 0.00 55.97 55.83 3ipv s LYS 12 Cb -0.05 -1.13 1.14 0.00 -0.52 0.00 0.00 37.83 37.27 3ipv s LYS 12 CO 0.23 0.29 1.89 -1.35 -0.92 0.00 0.00 175.35 175.49 3ipv h PRO 13 N 5.26 0.33 -5.10 -1.68 0.11 -1.81 -3.18 132.00 125.92 3ipv h PRO 13 Ca -0.38 -0.02 -0.67 0.00 0.11 0.00 0.00 66.00 65.04 3ipv h PRO 13 Cb 1.17 -0.07 -0.17 0.00 0.11 0.00 0.00 31.00 32.03 3ipv h PRO 13 CO 0.46 0.22 -0.08 -1.17 -0.21 0.00 0.00 178.00 177.22 3ipv s LEU 14 N -9.26 4.65 -0.42 2.35 0.20 -1.26 -4.89 118.68 110.06 3ipv s LEU 14 Ca -0.08 -0.45 0.05 0.00 0.69 0.00 0.00 54.13 54.35 3ipv s LEU 14 Cb 0.22 -2.53 0.19 0.00 -0.43 0.00 0.00 46.19 43.64 3ipv s LEU 14 CO 0.77 -0.62 0.42 1.21 -0.29 0.00 0.00 176.35 177.85 3ipv n GLU 15 N 5.83 0.34 0.07 1.98 4.07 -1.21 -5.00 120.64 126.73 3ipv n GLU 15 Ca -0.05 -3.06 0.10 0.00 -0.06 0.00 0.00 57.16 54.08 3ipv n GLU 15 Cb 0.48 -1.54 0.41 0.00 -0.06 0.00 0.00 31.44 30.73 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 2.48 0.10 -0.14 5.31 -0.04 -1.26 -1.90 135.00 139.55 3ipv n PRO 16 Ca 0.26 0.32 0.05 0.00 -0.04 0.00 0.00 63.50 64.10 3ipv n PRO 16 Cb 0.50 -1.69 0.15 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.88 1.53 -4.01 3.54 6.94 -1.26 -4.73 115.26 115.38 3ipv n ASN 17 Ca 0.03 -1.98 -0.29 0.00 -0.02 0.00 0.00 54.58 52.32 3ipv n ASN 17 Cb 0.21 -0.19 -0.17 0.00 -2.36 0.00 0.00 39.78 37.28 3ipv n ASN 17 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3ipv s LEU 18 N -1.04 1.62 -0.39 -4.53 0.20 -0.80 -0.01 118.68 113.74 3ipv s LEU 18 Ca 0.20 -0.43 -0.20 0.00 0.69 0.00 0.00 54.13 54.39 3ipv s LEU 18 Cb 0.10 -1.09 0.01 0.00 -0.43 0.00 0.00 46.19 44.79 3ipv s LEU 18 CO 0.14 -0.04 0.62 -0.63 -0.29 0.00 0.00 176.35 176.15 3ipv s ILE 19 N 1.33 4.88 -0.16 6.68 1.01 0.62 -4.89 121.20 130.67 3ipv s ILE 19 Ca 0.01 0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.94 3ipv s ILE 19 Cb -0.14 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 3ipv s ILE 19 CO -0.07 -0.41 0.16 -0.76 0.00 0.00 0.00 174.94 173.87 3ipv s LEU 20 N 2.71 4.29 0.04 2.97 1.43 -1.26 -1.41 118.68 127.45 3ipv s LEU 20 Ca 0.23 0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.75 3ipv s LEU 20 Cb -0.14 -2.14 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 3ipv s LEU 20 CO 0.16 0.26 -0.13 -1.10 0.23 0.00 0.00 176.35 175.77 3ipv s GLN 21 N -0.20 0.86 7.67 1.70 -0.21 0.90 -4.99 119.66 125.40 3ipv s GLN 21 Ca 0.12 -0.76 0.00 0.00 0.02 0.00 0.00 55.36 54.75 3ipv s GLN 21 Cb -0.12 -0.84 0.00 0.00 1.00 0.00 0.00 33.01 33.05 3ipv s GLN 21 CO 0.01 0.20 0.00 0.41 -2.12 0.00 0.00 175.29 173.80 3ipv n GLY 22 N 1.83 3.12 0.67 3.09 0.00 -1.26 -0.67 105.19 111.97 3ipv n GLY 22 Ca -0.19 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 5.73 2.21 -4.72 1.61 8.00 0.21 -4.93 116.55 124.65 3ipv n ASP 23 Ca 0.00 -1.66 -0.43 0.00 0.71 0.00 0.00 54.79 53.42 3ipv n ASP 23 Cb 0.00 0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 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 0.57 2.46 -2.93 2.24 0.00 -1.04 -4.62 120.51 117.18 3ipv n ALA 24 Ca 0.14 0.40 -0.10 0.00 0.00 0.00 0.00 53.44 53.88 3ipv n ALA 24 Cb 0.48 -2.47 -0.05 0.00 0.00 0.00 0.00 19.45 17.42 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 0.44 0.60 -0.20 0.00 0.05 -0.66 -4.69 118.68 114.22 3ipv s LEU 25 Ca 0.71 -0.45 -0.07 0.00 0.05 0.00 0.00 54.13 54.37 3ipv s LEU 25 Cb -0.53 1.67 -0.03 0.00 -2.05 0.00 0.00 46.19 45.24 3ipv s LEU 25 CO 0.40 -0.86 0.05 -0.69 -0.55 0.00 0.00 176.35 174.70 3ipv s VAL 26 N -3.84 4.47 0.79 1.48 1.01 -1.26 -0.30 120.40 122.75 3ipv s VAL 26 Ca 0.05 -0.14 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 3ipv s VAL 26 Cb 0.02 -3.03 0.07 0.00 0.00 0.00 0.00 36.38 33.44 3ipv s VAL 26 CO -0.10 0.43 1.11 0.42 0.00 0.00 0.00 175.10 176.96 3ipv s THR 27 N 0.75 2.97 0.54 3.92 -4.23 0.10 -4.57 115.64 115.12 3ipv s THR 27 Ca 0.02 0.32 0.22 0.00 -1.18 0.00 0.00 61.69 61.07 3ipv s THR 27 Cb -0.14 -3.13 0.32 0.00 1.34 0.00 0.00 72.50 70.89 3ipv s THR 27 CO 0.02 -0.41 2.13 0.58 -0.54 0.00 0.00 174.62 176.40 3ipv h VAL 28 N -1.04 0.79 0.00 2.29 2.07 -1.97 -1.09 116.25 117.30 3ipv h VAL 28 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3ipv h VAL 28 Cb 1.28 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 3ipv h VAL 28 CO 0.61 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.20 3ipv n ALA 29 N -2.49 2.35 -0.37 1.67 0.00 -1.26 -4.91 120.51 115.49 3ipv n ALA 29 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3ipv n ALA 29 Cb 0.22 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 1.01 0.81 3.82 0.00 0.00 -0.41 -4.96 105.19 105.46 3ipv n GLY 30 Ca 0.13 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3ipv n GLY 30 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ipv s VAL 31 N -2.00 5.39 -0.62 1.61 -7.23 -1.26 -1.60 120.40 114.69 3ipv s VAL 31 Ca 0.00 0.34 -0.23 0.00 -1.81 0.00 0.00 61.98 60.28 3ipv s VAL 31 Cb 0.00 -3.49 0.06 0.00 0.56 0.00 0.00 36.38 33.51 3ipv s VAL 31 CO 0.00 0.54 0.93 -0.22 -0.31 0.00 0.00 175.10 176.04 3ipv s LEU 32 N -0.52 4.39 -0.57 1.32 2.96 -0.52 -0.73 118.68 125.02 3ipv s LEU 32 Ca 0.15 -0.86 -0.24 0.00 -0.22 0.00 0.00 54.13 52.96 3ipv s LEU 32 Cb -0.13 -2.51 0.05 0.00 0.50 0.00 0.00 46.19 44.10 3ipv s LEU 32 CO 0.04 -1.35 0.95 -1.10 -1.32 0.00 0.00 176.35 173.58 3ipv s GLN 33 N 3.90 3.30 0.10 1.98 -0.21 0.59 -0.72 119.66 128.60 3ipv s GLN 33 Ca 0.23 -0.34 -0.16 0.00 0.02 0.00 0.00 55.36 55.11 3ipv s GLN 33 Cb -0.16 -4.08 -0.07 0.00 1.00 0.00 0.00 33.01 29.70 3ipv s GLN 33 CO 0.12 -1.55 1.47 -0.07 -2.12 0.00 0.00 175.29 173.14 3ipv h LEU 34 N 11.08 0.64 -9.49 2.90 3.38 -1.58 -1.77 115.31 120.48 3ipv h LEU 34 Ca -0.27 -0.40 -0.58 0.00 0.09 0.00 0.00 57.88 56.73 3ipv h LEU 34 Cb 1.07 -0.18 -0.11 0.00 0.09 0.00 0.00 40.66 41.54 3ipv h LEU 34 CO 1.11 0.90 -0.67 0.42 0.09 0.00 0.00 178.44 180.29 3ipv s THR 35 N -4.64 3.37 0.17 0.22 -4.23 -1.26 -2.51 115.64 106.77 3ipv s THR 35 Ca -0.13 -1.86 -0.33 0.00 -1.18 0.00 0.00 61.69 58.18 3ipv s THR 35 Cb 0.08 -2.77 -0.14 0.00 1.34 0.00 0.00 72.50 71.01 3ipv s THR 35 CO 0.80 -0.31 1.51 0.59 -0.54 0.00 0.00 174.62 176.67 3ipv n ASN 36 N -0.66 2.88 -4.04 3.99 3.02 -1.26 -4.70 115.26 114.48 3ipv n ASN 36 Ca -0.07 1.10 -0.22 0.00 -0.03 0.00 0.00 54.58 55.36 3ipv n ASN 36 Cb 0.58 -1.41 -0.16 0.00 -0.61 0.00 0.00 39.78 38.19 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 0.63 0.96 0.38 2.41 1.01 -1.26 -1.76 120.40 122.77 3ipv s VAL 37 Ca 0.77 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 3ipv s VAL 37 Cb -0.70 -0.84 0.09 0.00 0.00 0.00 0.00 36.38 34.93 3ipv s VAL 37 CO 0.41 0.29 0.52 -0.90 0.00 0.00 0.00 175.10 175.43 3ipv n ASP 38 N 3.22 0.03 0.28 3.32 5.68 0.87 -4.88 116.55 125.07 3ipv n ASP 38 Ca -0.18 -1.18 0.15 0.00 -0.50 0.00 0.00 54.79 53.07 3ipv n ASP 38 Cb 0.54 -0.40 0.82 0.00 -1.14 0.00 0.00 41.12 40.94 3ipv n ASP 38 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 3ipv h SER 39 N -0.69 0.00 -0.01 -1.12 0.87 -2.02 -2.09 113.55 108.49 3ipv h SER 39 Ca -0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 3ipv h SER 39 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 3ipv h SER 39 CO 0.12 0.08 -0.01 0.59 -0.53 0.00 0.00 176.83 177.08 3ipv n ASN 40 N -3.55 1.69 0.00 6.23 5.03 -1.26 -4.91 115.26 118.48 3ipv n ASN 40 Ca -0.02 -1.55 0.00 0.00 0.87 0.00 0.00 54.58 53.88 3ipv n ASN 40 Cb 0.20 0.01 0.00 0.00 -1.02 0.00 0.00 39.78 38.96 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 1.20 0.77 3.62 7.41 0.00 -0.78 -5.06 105.19 112.35 3ipv n GLY 41 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.07 4.82 0.77 1.61 1.01 -1.26 -4.73 120.40 120.54 3ipv s VAL 42 Ca 0.00 1.27 -0.13 0.00 0.00 0.00 0.00 61.98 63.11 3ipv s VAL 42 Cb 0.00 -4.12 0.06 0.00 0.00 0.00 0.00 36.38 32.32 3ipv s VAL 42 CO 0.00 -0.18 1.17 -2.16 0.00 0.00 0.00 175.10 173.93 3ipv s PRO 43 N 2.89 1.98 0.15 2.72 0.04 -1.26 -0.09 135.00 141.42 3ipv s PRO 43 Ca 0.32 1.61 0.10 0.00 0.04 0.00 0.00 61.00 63.08 3ipv s PRO 43 Cb -0.14 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 3ipv s PRO 43 CO 0.11 -1.93 -0.22 -1.21 0.04 0.00 0.00 177.00 173.79 3ipv s GLU 44 N -4.19 1.59 0.89 4.56 0.41 -0.72 -4.81 118.70 116.43 3ipv s GLU 44 Ca 0.70 -1.34 -0.10 0.00 -0.41 0.00 0.00 54.97 53.83 3ipv s GLU 44 Cb -0.26 -1.97 0.19 0.00 -1.78 0.00 0.00 34.13 30.32 3ipv s GLU 44 CO 0.49 0.45 1.22 -1.25 -0.49 0.00 0.00 175.26 175.67 3ipv s PRO 45 N -2.29 0.84 -1.34 0.39 0.04 -1.26 -4.39 135.00 126.99 3ipv s PRO 45 Ca 0.18 -0.82 -0.03 0.00 0.04 0.00 0.00 61.00 60.37 3ipv s PRO 45 Cb -0.10 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.43 3ipv s PRO 45 CO 0.09 -2.17 0.21 0.43 0.04 0.00 0.00 177.00 175.59 3ipv n SER 46 N -3.47 -4.67 -4.64 6.66 7.64 -0.14 -4.96 113.62 110.04 3ipv n SER 46 Ca 0.17 -0.05 -0.35 0.00 1.01 0.00 0.00 58.87 59.65 3ipv n SER 46 Cb 0.60 -3.89 -0.10 0.00 -1.01 0.00 0.00 64.21 59.81 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 -2.29 5.25 -0.05 6.43 0.15 -1.26 -4.99 113.70 116.95 3ipv s SER 47 Ca 0.13 0.08 -0.01 0.00 0.70 0.00 0.00 55.95 56.85 3ipv s SER 47 Cb -0.07 -1.67 0.03 0.00 -1.71 0.00 0.00 66.02 62.60 3ipv s SER 47 CO 0.16 0.29 0.00 -0.22 1.20 0.00 0.00 173.24 174.67 3ipv s LEU 48 N -0.33 0.79 0.01 3.45 0.20 -1.26 -1.24 118.68 120.29 3ipv s LEU 48 Ca 0.07 -0.06 -0.09 0.00 0.69 0.00 0.00 54.13 54.74 3ipv s LEU 48 Cb -0.12 -0.35 0.01 0.00 -0.43 0.00 0.00 46.19 45.29 3ipv s LEU 48 CO 0.02 -0.16 0.19 -0.83 -0.29 0.00 0.00 176.35 175.28 3ipv s GLY 49 N 1.60 0.00 0.03 7.98 0.00 -1.06 -0.62 107.32 115.26 3ipv s GLY 49 Ca -0.01 -0.09 0.02 0.00 0.00 0.00 0.00 44.72 44.64 3ipv s GLY 49 CO -0.03 -0.25 -0.07 0.50 0.00 0.00 0.00 173.10 173.25 3ipv s ARG 50 N -1.72 0.48 -0.04 2.90 0.52 0.16 -2.41 118.95 118.83 3ipv s ARG 50 Ca -0.12 -0.65 0.01 0.00 -0.52 0.00 0.00 55.73 54.45 3ipv s ARG 50 Cb -0.05 -0.25 0.02 0.00 0.52 0.00 0.00 34.95 35.19 3ipv s ARG 50 CO 0.01 0.04 -0.06 0.00 0.02 0.00 0.00 175.30 175.31 3ipv s ALA 51 N -1.21 0.75 0.01 2.13 0.00 -0.80 -0.07 121.76 122.57 3ipv s ALA 51 Ca -0.09 -0.12 0.03 0.00 0.00 0.00 0.00 51.96 51.78 3ipv s ALA 51 Cb -0.09 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 3ipv s ALA 51 CO 0.00 0.03 -0.08 0.95 0.00 0.00 0.00 175.76 176.66 3ipv s THR 52 N 0.78 0.64 0.32 0.00 -4.23 -0.50 -0.94 115.64 111.70 3ipv s THR 52 Ca -0.11 -0.51 -0.28 0.00 -1.18 0.00 0.00 61.69 59.60 3ipv s THR 52 Cb -0.14 -0.57 -0.13 0.00 1.34 0.00 0.00 72.50 73.01 3ipv s THR 52 CO 0.01 0.06 1.27 0.00 -0.54 0.00 0.00 174.62 175.42 3ipv n TYR 53 N 2.56 2.12 0.12 3.99 9.36 -0.79 -0.28 117.16 134.25 3ipv n TYR 53 Ca -0.15 0.56 -0.02 0.00 3.32 0.00 0.00 57.90 61.60 3ipv n TYR 53 Cb 0.57 -2.40 0.16 0.00 -0.63 0.00 0.00 39.34 37.04 3ipv n TYR 53 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3ipv h SER 54 N 2.70 0.08 -3.42 2.98 4.64 -0.76 -3.43 113.55 116.33 3ipv h SER 54 Ca -0.45 -0.04 -0.54 0.00 -0.47 0.00 0.00 61.79 60.28 3ipv h SER 54 Cb 1.29 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 63.32 3ipv h SER 54 CO 0.64 0.67 0.14 0.00 -0.87 0.00 0.00 176.83 177.40 3ipv s ALA 55 N -3.66 3.41 0.51 5.18 0.00 -1.26 -5.03 121.76 120.91 3ipv s ALA 55 Ca -0.02 0.26 -0.22 0.00 0.00 0.00 0.00 51.96 51.98 3ipv s ALA 55 Cb 0.13 -2.95 -0.06 0.00 0.00 0.00 0.00 23.12 20.24 3ipv s ALA 55 CO 0.77 0.14 1.25 -2.14 0.00 0.00 0.00 175.76 175.78 3ipv s PRO 56 N -0.33 3.39 -0.16 0.00 0.02 -1.26 -4.81 135.00 131.85 3ipv s PRO 56 Ca 0.37 1.97 -0.04 0.00 0.02 0.00 0.00 61.00 63.32 3ipv s PRO 56 Cb -0.21 -2.28 -0.03 0.00 0.02 0.00 0.00 34.50 32.01 3ipv s PRO 56 CO 0.23 -0.91 -0.04 0.42 -0.33 0.00 0.00 177.00 176.37 3ipv s ILE 57 N -1.45 3.83 -0.41 2.83 -1.09 0.15 -4.93 121.20 120.13 3ipv s ILE 57 Ca 0.69 -0.37 -0.29 0.00 -2.23 0.00 0.00 60.65 58.44 3ipv s ILE 57 Cb -0.34 -2.69 0.02 0.00 -1.58 0.00 0.00 42.46 37.88 3ipv s ILE 57 CO 0.40 0.48 1.18 0.21 -1.23 0.00 0.00 174.94 175.98 3ipv s ASN 58 N 0.52 6.67 -0.05 3.58 2.47 -1.26 -1.10 114.94 125.77 3ipv s ASN 58 Ca -0.03 0.75 0.18 0.00 0.42 0.00 0.00 52.86 54.17 3ipv s ASN 58 Cb -0.14 -2.55 -0.27 0.00 -1.45 0.00 0.00 41.25 36.84 3ipv s ASN 58 CO 0.03 -1.17 0.35 0.00 -3.72 0.00 0.00 177.10 172.59 3ipv n ILE 59 N 6.56 0.18 -3.82 -5.21 0.13 0.16 -4.73 119.36 112.64 3ipv n ILE 59 Ca 0.13 -0.46 -0.06 0.00 -1.10 0.00 0.00 62.75 61.26 3ipv n ILE 59 Cb 0.48 -0.02 -0.01 0.00 -0.84 0.00 0.00 39.64 39.26 3ipv n ILE 59 CO 0.00 0.00 0.00 -1.66 2.80 0.00 0.00 176.55 177.69 3ipv s TRP 60 N -3.13 -0.10 -0.02 9.51 1.48 -1.18 0.24 118.94 125.73 3ipv s TRP 60 Ca -0.07 -0.35 0.00 0.00 -1.06 0.00 0.00 56.10 54.63 3ipv s TRP 60 Cb 0.11 0.71 0.03 0.00 -1.16 0.00 0.00 33.47 33.15 3ipv s TRP 60 CO 0.75 -1.15 0.02 0.34 -4.06 0.00 0.00 176.95 172.85 3ipv s ASP 61 N -2.99 0.19 0.05 -2.66 2.15 -0.28 -4.59 116.67 108.55 3ipv s ASP 61 Ca 0.13 0.02 -0.18 0.00 0.43 0.00 0.00 52.55 52.95 3ipv s ASP 61 Cb -0.04 -0.12 -0.14 0.00 -0.30 0.00 0.00 42.92 42.31 3ipv s ASP 61 CO 0.06 -0.12 1.31 -1.28 -0.17 0.00 0.00 175.17 174.97 3ipv h SER 62 N 7.27 0.57 -0.07 -0.34 0.87 -1.94 0.27 113.55 120.18 3ipv h SER 62 Ca -0.45 -0.55 -0.02 0.00 -1.23 0.00 0.00 61.79 59.54 3ipv h SER 62 Cb 1.13 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.92 3ipv h SER 62 CO 0.48 1.01 -0.02 0.00 -0.53 0.00 0.00 176.83 177.77 3ipv h ALA 63 N 0.57 0.10 0.00 6.23 0.00 -1.98 -3.22 119.26 120.96 3ipv h ALA 63 Ca 0.01 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 3ipv h ALA 63 Cb 0.92 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3ipv h ALA 63 CO 0.07 -0.17 -1.01 1.79 0.00 0.00 0.00 179.25 179.93 3ipv h THR 64 N -0.20 1.01 0.00 0.00 1.35 -1.98 -3.47 112.91 109.61 3ipv h THR 64 Ca 0.02 -2.56 0.00 0.00 -0.55 0.00 0.00 66.41 63.32 3ipv h THR 64 Cb 0.43 2.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 3ipv h THR 64 CO 0.01 0.58 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 3ipv n GLY 65 N 1.34 1.42 3.83 5.82 0.00 0.95 -5.04 105.19 113.51 3ipv n GLY 65 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 3.91 0.08 0.99 1.43 -1.21 -4.77 118.68 119.11 3ipv s LEU 66 Ca 0.00 1.64 0.08 0.00 -1.03 0.00 0.00 54.13 54.82 3ipv s LEU 66 Cb 0.00 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.69 3ipv s LEU 66 CO 0.00 -0.37 -0.19 -0.69 0.23 0.00 0.00 176.35 175.33 3ipv s VAL 67 N -2.22 2.75 0.41 -1.59 1.01 -1.26 -1.12 120.40 118.38 3ipv s VAL 67 Ca 0.61 -1.38 -0.24 0.00 0.00 0.00 0.00 61.98 60.97 3ipv s VAL 67 Cb -0.09 -2.20 -0.09 0.00 0.00 0.00 0.00 36.38 33.99 3ipv s VAL 67 CO 0.16 0.21 1.05 0.00 0.00 0.00 0.00 175.10 176.52 3ipv s ALA 68 N -1.03 3.06 0.32 5.51 0.00 0.14 -4.68 121.76 125.08 3ipv s ALA 68 Ca 0.16 0.70 -0.14 0.00 0.00 0.00 0.00 51.96 52.68 3ipv s ALA 68 Cb -0.10 -3.28 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 3ipv s ALA 68 CO 0.07 -0.24 0.72 -1.12 0.00 0.00 0.00 175.76 175.19 3ipv s SER 69 N -1.59 6.74 0.18 0.00 0.01 -0.77 -4.42 113.70 113.86 3ipv s SER 69 Ca 0.59 1.23 -0.07 0.00 1.31 0.00 0.00 55.95 59.01 3ipv s SER 69 Cb -0.22 -2.35 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 3ipv s SER 69 CO 0.27 -0.20 0.26 0.72 0.41 0.00 0.00 173.24 174.70 3ipv s PHE 70 N -1.99 0.62 -0.08 2.43 -0.12 -0.89 -0.57 117.98 117.37 3ipv s PHE 70 Ca 0.53 -0.95 -0.12 0.00 -0.05 0.00 0.00 56.93 56.34 3ipv s PHE 70 Cb -0.10 -0.17 0.03 0.00 -0.63 0.00 0.00 43.02 42.14 3ipv s PHE 70 CO 0.19 -0.73 0.31 0.00 -0.05 0.00 0.00 175.22 174.94 3ipv s ALA 71 N -4.03 -0.77 -0.10 1.99 0.00 -0.31 -1.12 121.76 117.42 3ipv s ALA 71 Ca 0.24 0.68 -0.07 0.00 0.00 0.00 0.00 51.96 52.81 3ipv s ALA 71 Cb 0.04 -0.31 0.03 0.00 0.00 0.00 0.00 23.12 22.88 3ipv s ALA 71 CO 0.05 -0.19 0.25 -0.08 0.00 0.00 0.00 175.76 175.79 3ipv s THR 72 N -0.36 -0.02 0.07 0.00 -1.32 0.40 -1.42 115.64 112.99 3ipv s THR 72 Ca -0.05 0.07 0.10 0.00 -1.21 0.00 0.00 61.69 60.59 3ipv s THR 72 Cb -0.03 -0.37 -0.03 0.00 -1.51 0.00 0.00 72.50 70.56 3ipv s THR 72 CO 0.02 0.03 -0.25 -0.44 -2.21 0.00 0.00 174.62 171.76 3ipv s SER 73 N 0.66 3.30 0.13 8.08 0.01 0.35 -1.26 113.70 124.98 3ipv s SER 73 Ca -0.04 -0.62 -0.19 0.00 1.31 0.00 0.00 55.95 56.41 3ipv s SER 73 Cb -0.06 -0.31 0.05 0.00 0.21 0.00 0.00 66.02 65.91 3ipv s SER 73 CO -0.04 0.23 0.47 0.72 0.41 0.00 0.00 173.24 175.03 3ipv s PHE 74 N -0.90 -0.32 -0.11 2.43 -0.71 -0.85 0.27 117.98 117.77 3ipv s PHE 74 Ca 0.13 0.06 0.02 0.00 -1.04 0.00 0.00 56.93 56.10 3ipv s PHE 74 Cb -0.10 0.36 0.01 0.00 -1.21 0.00 0.00 43.02 42.08 3ipv s PHE 74 CO 0.04 -0.75 -0.17 0.50 -1.34 0.00 0.00 175.22 173.50 3ipv s ARG 75 N -3.72 2.41 -0.01 1.99 3.52 -0.87 -0.84 118.95 121.43 3ipv s ARG 75 Ca 0.02 -0.63 -0.06 0.00 -0.13 0.00 0.00 55.73 54.93 3ipv s ARG 75 Cb 0.01 -2.01 0.00 0.00 -1.56 0.00 0.00 34.95 31.39 3ipv s ARG 75 CO -0.12 -0.04 0.11 -0.59 -0.81 0.00 0.00 175.30 173.86 3ipv s PHE 76 N 0.91 0.03 -0.03 5.12 -0.12 -0.38 -0.33 117.98 123.17 3ipv s PHE 76 Ca -0.08 -0.08 0.07 0.00 -0.05 0.00 0.00 56.93 56.79 3ipv s PHE 76 Cb -0.15 -0.05 -0.02 0.00 -0.63 0.00 0.00 43.02 42.17 3ipv s PHE 76 CO -0.01 -0.23 -0.25 0.99 -0.05 0.00 0.00 175.22 175.67 3ipv s THR 77 N -1.09 1.99 -0.29 -4.49 2.01 0.59 0.63 115.64 114.99 3ipv s THR 77 Ca -0.12 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 60.81 3ipv s THR 77 Cb -0.07 -1.66 0.06 0.00 0.01 0.00 0.00 72.50 70.84 3ipv s THR 77 CO 0.01 0.56 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.83 3ipv s ILE 78 N -0.52 2.62 -0.18 1.82 1.01 -1.26 -0.83 121.20 123.86 3ipv s ILE 78 Ca 0.08 -1.54 -0.06 0.00 0.00 0.00 0.00 60.65 59.12 3ipv s ILE 78 Cb -0.10 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 3ipv s ILE 78 CO -0.00 -0.10 0.04 -0.47 0.00 0.00 0.00 174.94 174.40 3ipv s TYR 79 N 1.17 3.17 -0.14 3.97 5.04 -1.25 -1.00 117.35 128.31 3ipv s TYR 79 Ca -0.06 -0.07 0.01 0.00 -2.44 0.00 0.00 57.07 54.51 3ipv s TYR 79 Cb -0.20 -2.06 0.00 0.00 0.35 0.00 0.00 41.96 40.05 3ipv s TYR 79 CO -0.03 0.06 -0.18 0.00 -1.34 0.00 0.00 175.55 174.06 3ipv s ALA 80 N 0.48 2.41 0.46 3.97 0.00 -1.26 -0.93 121.76 126.88 3ipv s ALA 80 Ca 0.01 -1.04 0.12 0.00 0.00 0.00 0.00 51.96 51.06 3ipv s ALA 80 Cb -0.13 -1.13 1.04 0.00 0.00 0.00 0.00 23.12 22.91 3ipv s ALA 80 CO 0.01 0.02 2.06 -1.35 0.00 0.00 0.00 175.76 176.51 3ipv h PRO 81 N 7.20 0.17 -3.03 0.00 0.11 -1.94 -3.38 132.00 131.13 3ipv h PRO 81 Ca -0.31 -0.02 -0.53 0.00 0.11 0.00 0.00 66.00 65.26 3ipv h PRO 81 Cb 1.20 -0.03 -0.40 0.00 0.11 0.00 0.00 31.00 31.87 3ipv h PRO 81 CO 0.55 0.18 -0.77 1.21 -0.21 0.00 0.00 178.00 178.97 3ipv s ASN 82 N -6.94 3.40 0.00 -2.05 2.47 -1.26 -5.01 114.94 105.55 3ipv s ASN 82 Ca -0.06 -1.21 0.20 0.00 0.42 0.00 0.00 52.86 52.21 3ipv s ASN 82 Cb 0.17 -0.45 1.17 0.00 -1.45 0.00 0.00 41.25 40.69 3ipv s ASN 82 CO 0.70 -0.41 1.58 0.00 -3.72 0.00 0.00 177.10 175.24 3ipv n ILE 83 N 5.16 0.03 0.07 -5.21 3.06 -1.26 -1.67 119.36 119.54 3ipv n ILE 83 Ca -0.06 0.01 -0.06 0.00 -2.50 0.00 0.00 62.75 60.14 3ipv n ILE 83 Cb 0.43 -0.70 -0.10 0.00 0.54 0.00 0.00 39.64 39.82 3ipv n ILE 83 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ipv h ALA 84 N 3.22 0.40 -3.39 1.51 0.00 -1.96 -3.41 119.26 115.63 3ipv h ALA 84 Ca 0.00 -0.86 -0.64 0.00 0.00 0.00 0.00 54.91 53.41 3ipv h ALA 84 Cb 0.01 -0.13 -0.41 0.00 0.00 0.00 0.00 17.79 17.26 3ipv h ALA 84 CO 0.00 1.17 -0.68 0.95 0.00 0.00 0.00 179.25 180.70 3ipv s THR 85 N -2.74 2.25 0.12 0.00 -4.23 -0.67 -5.11 115.64 105.26 3ipv s THR 85 Ca 0.01 -2.86 0.06 0.00 -1.18 0.00 0.00 61.69 57.72 3ipv s THR 85 Cb 0.10 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 3ipv s THR 85 CO 0.81 -0.76 -0.15 0.27 -0.54 0.00 0.00 174.62 174.25 3ipv s ILE 86 N 0.21 1.39 0.00 2.99 -4.36 -1.26 -3.37 121.20 116.80 3ipv s ILE 86 Ca 0.15 -1.67 0.00 0.00 -0.26 0.00 0.00 60.65 58.87 3ipv s ILE 86 Cb -0.24 -1.51 0.00 0.00 1.25 0.00 0.00 42.46 41.97 3ipv s ILE 86 CO -0.03 -0.35 0.00 0.00 0.24 0.00 0.00 174.94 174.80 3ipv n ALA 87 N 0.66 0.00 -0.05 2.27 0.00 -1.26 -4.49 120.51 117.65 3ipv n ALA 87 Ca -0.16 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.23 3ipv n ALA 87 Cb 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.93 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 2.55 0.00 0.00 8.00 0.13 -3.27 116.55 123.96 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 0.78 0.00 0.00 -0.02 0.00 0.00 41.12 41.88 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 2.37 0.93 3.28 0.44 0.00 -0.80 -2.25 105.19 109.15 3ipv n GLY 89 Ca -0.15 -1.94 -0.15 0.00 0.00 0.00 0.00 46.02 43.77 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 2.11 -0.07 0.99 2.34 -0.43 -1.18 118.68 122.45 3ipv s LEU 90 Ca 0.00 -1.20 -0.16 0.00 0.06 0.00 0.00 54.13 52.83 3ipv s LEU 90 Cb 0.00 -0.13 0.03 0.00 -0.56 0.00 0.00 46.19 45.53 3ipv s LEU 90 CO 0.00 -0.56 0.37 0.00 -1.06 0.00 0.00 176.35 175.10 3ipv s ALA 91 N -3.58 -0.93 -0.08 1.48 0.00 0.19 0.67 121.76 119.51 3ipv s ALA 91 Ca 0.26 0.70 -0.16 0.00 0.00 0.00 0.00 51.96 52.76 3ipv s ALA 91 Cb 0.06 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 3ipv s ALA 91 CO 0.06 -0.24 0.40 0.12 0.00 0.00 0.00 175.76 176.10 3ipv s PHE 92 N -0.73 3.58 0.03 0.00 5.36 -0.66 -1.03 117.98 124.52 3ipv s PHE 92 Ca -0.08 0.85 -0.06 0.00 -0.96 0.00 0.00 56.93 56.68 3ipv s PHE 92 Cb -0.04 -2.40 -0.01 0.00 -0.34 0.00 0.00 43.02 40.24 3ipv s PHE 92 CO 0.03 0.37 0.10 -0.59 -1.46 0.00 0.00 175.22 173.67 3ipv s PHE 93 N -0.06 0.15 -0.08 10.12 -0.71 -0.19 -0.88 117.98 126.33 3ipv s PHE 93 Ca 0.23 -0.39 0.02 0.00 -1.04 0.00 0.00 56.93 55.74 3ipv s PHE 93 Cb -0.15 -0.11 -0.02 0.00 -1.21 0.00 0.00 43.02 41.52 3ipv s PHE 93 CO 0.10 -0.33 -0.12 -0.51 -1.34 0.00 0.00 175.22 173.01 3ipv s LEU 94 N -1.87 2.84 0.30 -1.99 1.02 -0.33 -1.73 118.68 116.92 3ipv s LEU 94 Ca -0.09 -0.19 -0.18 0.00 0.02 0.00 0.00 54.13 53.70 3ipv s LEU 94 Cb -0.04 -1.61 0.02 0.00 0.02 0.00 0.00 46.19 44.59 3ipv s LEU 94 CO -0.03 0.30 0.69 0.00 0.02 0.00 0.00 176.35 177.33 3ipv s ALA 95 N -0.44 -0.91 0.80 4.21 0.00 -1.09 -1.46 121.76 122.88 3ipv s ALA 95 Ca 0.06 -0.53 -0.14 0.00 0.00 0.00 0.00 51.96 51.35 3ipv s ALA 95 Cb -0.12 0.86 0.08 0.00 0.00 0.00 0.00 23.12 23.94 3ipv s ALA 95 CO 0.02 -0.99 1.21 -2.30 0.00 0.00 0.00 175.76 173.70 3ipv n PRO 96 N -0.47 0.23 -0.33 0.00 -0.02 -1.25 -1.78 135.00 131.39 3ipv n PRO 96 Ca -0.04 0.15 0.15 0.00 -2.02 0.00 0.00 63.50 61.74 3ipv n PRO 96 Cb 0.60 -2.44 0.38 0.00 -0.02 0.00 0.00 33.50 32.01 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 -0.83 0.68 -0.48 -1.45 2.07 -1.86 -2.00 116.25 112.39 3ipv h VAL 97 Ca -0.47 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 66.73 3ipv h VAL 97 Cb 1.30 -0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 3ipv h VAL 97 CO 0.46 0.12 0.13 0.00 0.02 0.00 0.00 177.57 178.30 3ipv n ALA 98 N -2.38 3.80 -1.77 1.67 0.00 -1.26 -4.78 120.51 115.78 3ipv n ALA 98 Ca 0.23 -1.52 -0.38 0.00 0.00 0.00 0.00 53.44 51.77 3ipv n ALA 98 Cb 0.63 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 3ipv n ALA 98 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ipv s SER 99 N -0.55 6.42 0.28 0.00 1.04 -0.75 -5.03 113.70 115.12 3ipv s SER 99 Ca 0.38 2.40 0.09 0.00 0.48 0.00 0.00 55.95 59.31 3ipv s SER 99 Cb 0.30 -2.62 -0.06 0.00 0.10 0.00 0.00 66.02 63.75 3ipv s SER 99 CO 0.10 -0.75 -0.13 0.00 0.98 0.00 0.00 173.24 173.44 3ipv s ALA 100 N -1.40 2.59 0.21 5.32 0.00 -1.26 -5.06 121.76 122.16 3ipv s ALA 100 Ca 0.58 -1.91 -0.32 0.00 0.00 0.00 0.00 51.96 50.31 3ipv s ALA 100 Cb -0.32 -0.07 -0.13 0.00 0.00 0.00 0.00 23.12 22.60 3ipv s ALA 100 CO 0.40 0.11 1.59 -2.30 0.00 0.00 0.00 175.76 175.57 3ipv n PRO 101 N -0.62 2.42 0.00 0.00 -0.02 -1.26 -4.94 135.00 130.58 3ipv n PRO 101 Ca -0.06 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3ipv n PRO 101 Cb 0.62 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 3.11 0.00 -4.71 2.55 8.00 0.28 -4.99 116.55 120.79 3ipv n ASP 102 Ca 0.14 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.24 3ipv n ASP 102 Cb 0.33 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.45 3ipv n ASP 102 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3ipv n SER 103 N 0.00 2.45 -0.54 -2.24 7.64 -1.19 -4.59 113.62 115.15 3ipv n SER 103 Ca 0.00 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.93 3ipv n SER 103 Cb 0.00 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 61.69 3ipv n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ipv n GLY 104 N 0.83 1.61 7.00 0.23 0.00 -1.26 -1.63 105.19 111.97 3ipv n GLY 104 Ca 0.08 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 2.16 0.36 -0.02 0.00 -1.26 -1.21 105.19 110.22 3ipv n GLY 105 Ca 0.00 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.00 3ipv n GLY 105 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ipv h GLY 106 N 0.00 0.00 1.06 -0.02 0.00 -1.91 -2.12 103.07 100.07 3ipv h GLY 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ipv h GLY 106 CO 0.00 0.00 -0.12 0.69 0.00 0.00 0.00 176.54 177.11 3ipv n PHE 107 N -2.97 0.00 -1.87 5.60 3.72 -0.35 -4.91 117.46 116.67 3ipv n PHE 107 Ca 0.03 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.26 3ipv n PHE 107 Cb 0.71 -0.22 -0.05 0.00 -0.94 0.00 0.00 39.48 38.98 3ipv n PHE 107 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3ipv n LEU 108 N -1.06 -1.40 -0.78 4.37 4.77 -0.80 -0.92 117.00 121.18 3ipv n LEU 108 Ca 0.13 0.28 -0.10 0.00 -0.03 0.00 0.00 56.01 56.29 3ipv n LEU 108 Cb 0.28 -2.52 -0.04 0.00 -2.33 0.00 0.00 43.42 38.81 3ipv n LEU 108 CO 0.25 -0.61 -0.10 0.61 -1.33 0.00 0.00 177.39 176.21 3ipv n GLY 109 N -0.57 1.14 0.00 -0.72 0.00 -0.65 -4.17 105.19 100.23 3ipv n GLY 109 Ca -0.19 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.16 0.00 -4.14 0.99 4.77 -0.10 -0.56 117.00 116.80 3ipv n LEU 110 Ca -0.10 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.78 3ipv n LEU 110 Cb 0.38 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.37 3ipv n LEU 110 CO 0.16 0.00 -0.35 -0.36 -1.33 0.00 0.00 177.39 175.50 3ipv s PHE 111 N -1.36 0.77 -0.23 -1.77 0.08 -1.13 -4.84 117.98 109.51 3ipv s PHE 111 Ca 0.00 -1.04 0.17 0.00 0.12 0.00 0.00 56.93 56.18 3ipv s PHE 111 Cb 0.00 -0.48 -0.23 0.00 -0.57 0.00 0.00 43.02 41.73 3ipv s PHE 111 CO 0.00 -0.31 0.46 -0.25 -0.10 0.00 0.00 175.22 175.02 3ipv n ASP 112 N -0.01 1.07 -1.25 1.36 8.00 -1.26 -3.19 116.55 121.27 3ipv n ASP 112 Ca -0.11 -0.25 -0.01 0.00 0.71 0.00 0.00 54.79 55.13 3ipv n ASP 112 Cb 0.62 1.54 0.00 0.00 -0.02 0.00 0.00 41.12 43.26 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 -1.88 -0.22 0.14 -2.24 3.41 -1.26 -4.90 113.62 106.67 3ipv n SER 113 Ca -0.01 -1.13 0.02 0.00 -0.26 0.00 0.00 58.87 57.49 3ipv n SER 113 Cb 0.38 0.36 0.11 0.00 -0.26 0.00 0.00 64.21 64.81 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 0.74 -2.66 7.33 0.00 -1.97 -3.41 119.26 121.29 3ipv h ALA 114 Ca -0.03 -0.50 -0.50 0.00 0.00 0.00 0.00 54.91 53.88 3ipv h ALA 114 Cb 0.14 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.87 3ipv h ALA 114 CO 0.04 0.69 0.45 0.14 0.00 0.00 0.00 179.25 180.57 3ipv s VAL 115 N -3.17 3.52 0.21 0.00 -7.23 -1.26 -4.47 120.40 108.01 3ipv s VAL 115 Ca 0.02 1.31 -0.30 0.00 -1.81 0.00 0.00 61.98 61.20 3ipv s VAL 115 Cb 0.09 -3.75 -0.09 0.00 0.56 0.00 0.00 36.38 33.20 3ipv s VAL 115 CO 0.74 0.15 1.24 -0.83 -0.31 0.00 0.00 175.10 176.08 3ipv s GLY 116 N -1.24 2.66 -0.21 2.32 0.00 -1.26 -4.73 107.32 104.86 3ipv s GLY 116 Ca 0.53 1.03 -0.04 0.00 0.00 0.00 0.00 44.72 46.24 3ipv s GLY 116 CO 0.35 1.90 0.30 -0.35 0.00 0.00 0.00 173.10 175.30 3ipv s ASP 117 N 0.06 0.66 0.59 1.64 -1.08 -0.57 -5.03 116.67 112.95 3ipv s ASP 117 Ca 0.53 0.15 0.29 0.00 -0.52 0.00 0.00 52.55 53.01 3ipv s ASP 117 Cb -0.35 0.79 1.69 0.00 -1.46 0.00 0.00 42.92 43.60 3ipv s ASP 117 CO 0.39 -0.30 2.10 0.71 0.52 0.00 0.00 175.17 178.60 3ipv h THR 118 N 6.25 0.43 0.00 1.71 1.35 -1.97 -2.63 112.91 118.06 3ipv h THR 118 Ca -0.18 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.57 3ipv h THR 118 Cb 1.15 0.84 -0.02 0.00 -1.73 0.00 0.00 68.15 68.39 3ipv h THR 118 CO 0.25 0.00 -0.54 0.71 -0.25 0.00 0.00 175.52 175.69 3ipv h THR 119 N 0.00 1.33 -1.00 6.82 1.35 -1.95 -2.80 112.91 116.66 3ipv h THR 119 Ca 0.08 -1.90 0.26 0.00 -0.55 0.00 0.00 66.41 64.30 3ipv h THR 119 Cb 0.48 2.04 -0.07 0.00 -1.73 0.00 0.00 68.15 68.87 3ipv h THR 119 CO -0.00 0.53 0.68 1.88 -0.25 0.00 0.00 175.52 178.36 3ipv h TYR 120 N 0.00 0.37 -6.93 4.73 0.05 -1.81 -3.46 116.97 109.92 3ipv h TYR 120 Ca -0.01 0.01 -0.59 0.00 0.05 0.00 0.00 58.73 58.20 3ipv h TYR 120 Cb 1.00 -0.11 -0.17 0.00 1.01 0.00 0.00 36.73 38.46 3ipv h TYR 120 CO 0.00 0.06 -0.95 1.04 -1.05 0.00 0.00 178.16 177.26 3ipv n GLN 121 N -4.44 -1.58 -4.03 4.88 6.02 -1.06 -4.66 117.38 112.51 3ipv n GLN 121 Ca 0.22 0.18 -0.27 0.00 -0.01 0.00 0.00 57.00 57.12 3ipv n GLN 121 Cb 0.92 -3.84 -0.17 0.00 1.02 0.00 0.00 30.24 28.17 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 -4.27 1.09 -0.16 5.09 2.01 -1.26 -3.95 115.64 114.18 3ipv s THR 122 Ca 0.00 -0.35 -0.03 0.00 0.31 0.00 0.00 61.69 61.63 3ipv s THR 122 Cb -0.00 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.41 3ipv s THR 122 CO 0.97 0.37 -0.07 -0.69 -0.69 0.00 0.00 174.62 174.51 3ipv s VAL 123 N 1.51 3.55 0.01 3.82 1.01 -0.54 -1.04 120.40 128.73 3ipv s VAL 123 Ca 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3ipv s VAL 123 Cb -0.13 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 3ipv s VAL 123 CO -0.06 0.49 -0.02 0.00 0.00 0.00 0.00 175.10 175.51 3ipv s ALA 124 N 0.50 0.14 -0.29 5.51 0.00 0.35 -1.19 121.76 126.78 3ipv s ALA 124 Ca -0.05 -0.20 -0.10 0.00 0.00 0.00 0.00 51.96 51.61 3ipv s ALA 124 Cb -0.15 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 3ipv s ALA 124 CO 0.03 -0.01 0.15 0.08 0.00 0.00 0.00 175.76 176.02 3ipv s VAL 125 N -0.39 4.83 0.07 0.00 1.01 -0.06 0.29 120.40 126.15 3ipv s VAL 125 Ca -0.03 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.83 3ipv s VAL 125 Cb -0.03 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 3ipv s VAL 125 CO -0.00 0.19 0.07 -1.83 0.00 0.00 0.00 175.10 173.53 3ipv s GLU 126 N 1.67 2.89 -0.44 2.72 -1.05 0.24 -1.66 118.70 123.07 3ipv s GLU 126 Ca 0.06 -0.67 0.04 0.00 -0.15 0.00 0.00 54.97 54.25 3ipv s GLU 126 Cb -0.16 -2.73 0.12 0.00 -0.44 0.00 0.00 34.13 30.91 3ipv s GLU 126 CO 0.08 0.58 0.17 -0.06 0.95 0.00 0.00 175.26 176.97 3ipv s PHE 127 N -1.35 3.35 -0.32 4.83 0.40 0.21 -2.12 117.98 123.00 3ipv s PHE 127 Ca 0.28 -3.06 -0.09 0.00 -0.60 0.00 0.00 56.93 53.46 3ipv s PHE 127 Cb -0.12 -2.81 0.00 0.00 0.51 0.00 0.00 43.02 40.60 3ipv s PHE 127 CO 0.20 -0.83 0.14 0.34 0.70 0.00 0.00 175.22 175.77 3ipv s ASP 128 N 0.25 5.47 -0.15 1.36 -1.08 -0.55 -1.31 116.67 120.66 3ipv s ASP 128 Ca 0.14 -0.64 0.17 0.00 -0.52 0.00 0.00 52.55 51.70 3ipv s ASP 128 Cb -0.23 -1.97 0.71 0.00 -1.46 0.00 0.00 42.92 39.97 3ipv s ASP 128 CO -0.04 -0.22 1.63 0.35 0.52 0.00 0.00 175.17 177.41 3ipv n THR 129 N 4.95 2.09 -3.67 1.71 -2.24 -0.96 -2.04 114.28 114.13 3ipv n THR 129 Ca -0.14 -1.32 -0.08 0.00 -2.27 0.00 0.00 64.05 60.25 3ipv n THR 129 Cb 0.48 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.63 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 -2.15 -0.85 -0.42 4.78 5.04 -1.26 -4.18 117.35 118.32 3ipv s TYR 130 Ca 0.50 1.69 -0.27 0.00 -2.44 0.00 0.00 57.07 56.55 3ipv s TYR 130 Cb 0.34 0.44 0.02 0.00 0.35 0.00 0.00 41.96 43.12 3ipv s TYR 130 CO 0.20 -0.46 0.99 -2.00 -1.34 0.00 0.00 175.55 172.95 3ipv s GLU 131 N 1.86 3.73 -0.56 4.97 2.12 -1.26 -4.97 118.70 124.60 3ipv s GLU 131 Ca -0.08 0.49 -0.18 0.00 0.36 0.00 0.00 54.97 55.56 3ipv s GLU 131 Cb -0.08 -3.86 0.10 0.00 0.26 0.00 0.00 34.13 30.54 3ipv s GLU 131 CO -0.15 -1.14 0.63 -0.80 -0.54 0.00 0.00 175.26 173.25 3ipv s ASN 132 N 2.13 6.19 0.36 -1.70 -0.87 -1.26 -4.92 114.94 114.87 3ipv s ASN 132 Ca 0.41 -1.40 0.11 0.00 -1.57 0.00 0.00 52.86 50.41 3ipv s ASN 132 Cb -0.10 -2.27 0.70 0.00 -0.02 0.00 0.00 41.25 39.55 3ipv s ASN 132 CO 0.24 -0.99 1.83 0.71 -2.57 0.00 0.00 177.10 176.33 3ipv h THR 133 N 5.89 1.24 -0.66 1.60 1.35 -1.93 0.11 112.91 120.51 3ipv h THR 133 Ca -0.29 -1.15 0.19 0.00 -0.55 0.00 0.00 66.41 64.61 3ipv h THR 133 Cb 1.09 1.53 -0.03 0.00 -1.73 0.00 0.00 68.15 69.02 3ipv h THR 133 CO 1.05 0.34 0.75 1.62 -0.25 0.00 0.00 175.52 179.02 3ipv h VAL 134 N 0.11 0.22 -0.30 6.82 3.04 -1.95 -2.00 116.25 122.19 3ipv h VAL 134 Ca 0.01 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.70 3ipv h VAL 134 Cb 0.59 0.40 0.00 0.00 -2.01 0.00 0.00 31.29 30.27 3ipv h VAL 134 CO 0.04 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.09 3ipv n PHE 135 N -3.52 0.71 -2.38 3.17 3.72 0.35 -4.91 117.46 114.59 3ipv n PHE 135 Ca 0.14 -0.70 -0.17 0.00 -0.05 0.00 0.00 57.45 56.67 3ipv n PHE 135 Cb 0.97 -0.18 -0.01 0.00 -0.94 0.00 0.00 39.48 39.32 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 -0.05 -0.76 -1.87 4.37 -1.04 -0.75 -4.41 114.28 109.78 3ipv n THR 136 Ca 0.17 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.76 3ipv n THR 136 Cb 0.67 -2.34 -0.02 0.00 -1.82 0.00 0.00 70.33 66.83 3ipv n THR 136 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3ipv s ASP 137 N -2.05 6.48 0.82 8.00 1.01 -1.05 -4.94 116.67 124.94 3ipv s ASP 137 Ca 0.00 2.83 -0.13 0.00 0.71 0.00 0.00 52.55 55.96 3ipv s ASP 137 Cb 0.00 -2.63 0.09 0.00 1.01 0.00 0.00 42.92 41.39 3ipv s ASP 137 CO 0.00 -0.83 1.20 -2.16 0.21 0.00 0.00 175.17 173.59 3ipv s PRO 138 N -0.38 1.58 0.00 8.23 0.04 -1.26 -4.73 135.00 138.48 3ipv s PRO 138 Ca 0.62 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.41 3ipv s PRO 138 Cb -0.45 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.31 3ipv s PRO 138 CO 0.45 -2.25 0.45 -0.35 0.04 0.00 0.00 177.00 175.34 3ipv n PRO 139 N -3.37 0.58 -4.00 0.56 -0.04 -1.26 -4.70 135.00 122.77 3ipv n PRO 139 Ca 0.13 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.51 3ipv n PRO 139 Cb 0.51 -1.13 -0.10 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.55 0.34 0.46 0.54 -0.85 -1.26 -5.06 117.35 109.97 3ipv s TYR 140 Ca 0.00 -0.74 -0.24 0.00 -0.52 0.00 0.00 57.07 55.57 3ipv s TYR 140 Cb 0.00 -0.25 -0.08 0.00 0.38 0.00 0.00 41.96 42.01 3ipv s TYR 140 CO 0.00 -0.34 1.28 0.25 -1.52 0.00 0.00 175.55 175.22 3ipv n THR 141 N 0.67 2.89 -3.61 -3.49 -2.24 -1.26 -4.93 114.28 102.30 3ipv n THR 141 Ca -0.18 -0.50 -0.10 0.00 -2.27 0.00 0.00 64.05 61.00 3ipv n THR 141 Cb 0.59 -1.58 -0.03 0.00 -2.10 0.00 0.00 70.33 67.21 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 -1.24 -0.29 -0.11 4.78 -3.43 -0.87 -2.18 115.29 111.94 3ipv s HIS 142 Ca 0.64 -0.00 -0.09 0.00 -0.80 0.00 0.00 55.06 54.81 3ipv s HIS 142 Cb -0.48 0.44 -0.04 0.00 -1.43 0.00 0.00 32.58 31.07 3ipv s HIS 142 CO 0.56 -0.86 0.18 0.42 -2.00 0.00 0.00 174.74 173.04 3ipv s ILE 143 N -3.82 5.42 0.05 -5.38 1.01 -0.06 -1.48 121.20 116.94 3ipv s ILE 143 Ca 0.05 0.31 -0.02 0.00 0.00 0.00 0.00 60.65 60.99 3ipv s ILE 143 Cb -0.01 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 3ipv s ILE 143 CO -0.08 0.58 -0.00 -0.83 0.00 0.00 0.00 174.94 174.61 3ipv s GLY 144 N -0.81 0.39 -0.25 6.18 0.00 -0.90 -1.07 107.32 110.86 3ipv s GLY 144 Ca 0.16 -1.04 -0.09 0.00 0.00 0.00 0.00 44.72 43.75 3ipv s GLY 144 CO 0.05 -1.15 0.11 -1.36 0.00 0.00 0.00 173.10 170.75 3ipv s PHE 145 N -3.55 3.16 -0.31 1.90 0.08 -0.88 -0.59 117.98 117.79 3ipv s PHE 145 Ca 0.03 -0.16 -0.06 0.00 0.12 0.00 0.00 56.93 56.87 3ipv s PHE 145 Cb 0.05 -2.27 0.03 0.00 -0.57 0.00 0.00 43.02 40.26 3ipv s PHE 145 CO -0.09 -0.22 0.07 -0.51 -0.10 0.00 0.00 175.22 174.37 3ipv s ASP 146 N 1.50 5.09 -0.38 1.36 1.01 0.14 -0.97 116.67 124.43 3ipv s ASP 146 Ca 0.06 -0.95 0.01 0.00 0.71 0.00 0.00 52.55 52.38 3ipv s ASP 146 Cb -0.15 -1.84 0.11 0.00 1.01 0.00 0.00 42.92 42.05 3ipv s ASP 146 CO 0.06 -0.25 0.13 -0.69 0.21 0.00 0.00 175.17 174.63 3ipv s VAL 147 N 1.42 2.71 -0.94 -1.27 1.01 -1.26 -0.50 120.40 121.58 3ipv s VAL 147 Ca -0.00 -2.28 0.00 0.00 0.00 0.00 0.00 61.98 59.70 3ipv s VAL 147 Cb -0.18 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.27 3ipv s VAL 147 CO 0.01 -0.65 0.00 0.59 0.00 0.00 0.00 175.10 175.06 3ipv n ASN 148 N 4.33 -5.36 -3.65 3.32 3.02 -0.20 -4.92 115.26 111.80 3ipv n ASN 148 Ca 0.02 0.22 -0.14 0.00 -0.03 0.00 0.00 54.58 54.64 3ipv n ASN 148 Cb 0.41 -3.86 -0.08 0.00 -0.61 0.00 0.00 39.78 35.65 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 -2.21 -0.63 0.29 6.41 0.15 -1.26 -1.51 113.70 114.93 3ipv s SER 149 Ca 0.00 1.14 0.26 0.00 0.70 0.00 0.00 55.95 58.05 3ipv s SER 149 Cb 0.00 1.15 0.90 0.00 -1.71 0.00 0.00 66.02 66.36 3ipv s SER 149 CO 0.00 -0.27 1.76 -0.29 1.20 0.00 0.00 173.24 175.64 3ipv h ILE 150 N 4.01 0.00 -1.63 6.45 6.09 -1.82 -3.40 117.51 127.21 3ipv h ILE 150 Ca -0.28 -0.42 -0.53 0.00 -1.37 0.00 0.00 64.86 62.26 3ipv h ILE 150 Cb 1.16 1.30 -0.08 0.00 0.47 0.00 0.00 36.82 39.68 3ipv h ILE 150 CO 0.16 0.00 1.24 -0.55 -3.07 0.00 0.00 178.15 175.92 3ipv s SER 151 N -4.67 6.11 0.27 2.19 0.15 -1.26 -4.97 113.70 111.52 3ipv s SER 151 Ca 0.07 -0.81 -0.29 0.00 0.70 0.00 0.00 55.95 55.62 3ipv s SER 151 Cb 0.10 -2.56 -0.14 0.00 -1.71 0.00 0.00 66.02 61.71 3ipv s SER 151 CO 0.51 -1.85 1.01 -1.20 1.20 0.00 0.00 173.24 172.91 3ipv n SER 152 N 9.99 1.24 0.17 5.45 7.64 -1.26 -4.80 113.62 132.05 3ipv n SER 152 Ca 0.21 1.17 0.04 0.00 1.01 0.00 0.00 58.87 61.30 3ipv n SER 152 Cb 0.50 -1.27 0.23 0.00 -1.01 0.00 0.00 64.21 62.66 3ipv n SER 152 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3ipv h ILE 153 N 2.03 0.94 -3.11 0.44 2.04 -1.38 -3.46 117.51 115.02 3ipv h ILE 153 Ca -0.40 -1.80 -0.10 0.00 1.00 0.00 0.00 64.86 63.56 3ipv h ILE 153 Cb 1.34 2.10 -0.18 0.00 -0.74 0.00 0.00 36.82 39.34 3ipv h ILE 153 CO 0.62 0.44 -0.21 -0.75 0.00 0.00 0.00 178.15 178.24 3ipv s LYS 154 N -3.41 0.79 0.18 2.37 2.20 -1.25 -5.01 119.74 115.61 3ipv s LYS 154 Ca 0.01 -0.34 -0.01 0.00 -0.36 0.00 0.00 55.97 55.27 3ipv s LYS 154 Cb 0.10 0.35 -0.04 0.00 -1.51 0.00 0.00 37.83 36.73 3ipv s LYS 154 CO 0.71 -0.25 0.10 0.95 -0.36 0.00 0.00 175.35 176.51 3ipv s THR 155 N -2.06 0.05 0.08 3.43 -4.23 -1.26 -2.07 115.64 109.58 3ipv s THR 155 Ca -0.08 -1.97 -0.10 0.00 -1.18 0.00 0.00 61.69 58.36 3ipv s THR 155 Cb -0.02 -2.35 0.01 0.00 1.34 0.00 0.00 72.50 71.47 3ipv s THR 155 CO 0.00 -0.16 0.23 0.54 -0.54 0.00 0.00 174.62 174.69 3ipv s VAL 156 N -4.11 0.12 0.33 2.29 0.11 -0.23 -4.98 120.40 113.93 3ipv s VAL 156 Ca 0.34 -1.01 -0.29 0.00 -2.93 0.00 0.00 61.98 58.09 3ipv s VAL 156 Cb 0.07 -1.20 -0.11 0.00 -1.53 0.00 0.00 36.38 33.62 3ipv s VAL 156 CO 0.09 -0.56 1.41 -0.75 -3.33 0.00 0.00 175.10 171.96 3ipv s LYS 157 N -3.47 4.24 -0.11 1.54 2.20 -1.26 -0.88 119.74 122.00 3ipv s LYS 157 Ca 0.02 2.38 -0.01 0.00 -0.36 0.00 0.00 55.97 57.99 3ipv s LYS 157 Cb 0.03 -3.04 0.03 0.00 -1.51 0.00 0.00 37.83 33.34 3ipv s LYS 157 CO -0.09 -0.38 -0.01 -0.46 -0.36 0.00 0.00 175.35 174.05 3ipv s TRP 158 N -0.81 0.90 -0.57 4.03 -0.00 -0.93 -4.71 118.94 116.86 3ipv s TRP 158 Ca 0.53 -0.43 -0.21 0.00 -0.00 0.00 0.00 56.10 55.99 3ipv s TRP 158 Cb -0.43 -0.93 0.07 0.00 -0.00 0.00 0.00 33.47 32.17 3ipv s TRP 158 CO 0.54 -0.43 0.80 -1.12 -0.00 0.00 0.00 176.95 176.74 3ipv s SER 159 N 1.90 6.23 0.16 5.86 0.01 -1.26 -4.04 113.70 122.56 3ipv s SER 159 Ca 0.04 -0.92 -0.33 0.00 1.31 0.00 0.00 55.95 56.05 3ipv s SER 159 Cb -0.13 -2.36 -0.13 0.00 0.21 0.00 0.00 66.02 63.61 3ipv s SER 159 CO -0.06 -1.15 1.66 -0.11 0.41 0.00 0.00 173.24 173.98 3ipv n LEU 160 N 6.88 3.46 -4.28 2.44 7.94 -1.26 -4.97 117.00 127.21 3ipv n LEU 160 Ca -0.05 1.06 -0.43 0.00 -1.11 0.00 0.00 56.01 55.49 3ipv n LEU 160 Cb 0.45 -1.48 -0.07 0.00 0.53 0.00 0.00 43.42 42.85 3ipv n LEU 160 CO 0.60 -0.10 0.04 0.00 -1.11 0.00 0.00 177.39 176.82 3ipv s ALA 161 N 1.26 3.50 -0.20 1.96 0.00 -1.26 -5.02 121.76 122.00 3ipv s ALA 161 Ca 0.78 -2.45 -0.37 0.00 0.00 0.00 0.00 51.96 49.92 3ipv s ALA 161 Cb -0.61 -3.01 -0.14 0.00 0.00 0.00 0.00 23.12 19.36 3ipv s ALA 161 CO 0.37 -1.91 1.84 -1.71 0.00 0.00 0.00 175.76 174.35 3ipv n ASN 162 N 5.08 2.88 0.00 0.00 5.15 -1.26 -1.70 115.26 125.40 3ipv n ASN 162 Ca -0.11 0.99 0.00 0.00 -0.60 0.00 0.00 54.58 54.86 3ipv n ASN 162 Cb 0.41 -1.25 0.00 0.00 -0.53 0.00 0.00 39.78 38.41 3ipv n ASN 162 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ipv n GLY 163 N 4.44 0.62 3.83 8.20 0.00 -0.17 -4.96 105.19 117.14 3ipv n GLY 163 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.16 3.24 0.09 1.61 0.41 -0.69 -4.92 118.70 118.28 3ipv s GLU 164 Ca 0.00 -0.36 -0.30 0.00 -0.41 0.00 0.00 54.97 53.90 3ipv s GLU 164 Cb 0.00 -2.99 -0.06 0.00 -1.78 0.00 0.00 34.13 29.30 3ipv s GLU 164 CO 0.00 0.69 1.16 0.00 -0.49 0.00 0.00 175.26 176.62 3ipv s ALA 165 N -1.17 3.38 -0.11 5.21 0.00 -1.26 -4.50 121.76 123.30 3ipv s ALA 165 Ca 0.22 0.83 -0.03 0.00 0.00 0.00 0.00 51.96 52.98 3ipv s ALA 165 Cb -0.12 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 3ipv s ALA 165 CO 0.12 -0.37 -0.01 0.00 0.00 0.00 0.00 175.76 175.50 3ipv s ALA 166 N 0.67 3.18 -0.23 0.00 0.00 0.21 -4.37 121.76 121.22 3ipv s ALA 166 Ca 0.56 -0.81 -0.07 0.00 0.00 0.00 0.00 51.96 51.63 3ipv s ALA 166 Cb -0.29 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 3ipv s ALA 166 CO 0.31 0.45 0.06 0.15 0.00 0.00 0.00 175.76 176.73 3ipv s LYS 167 N -0.43 3.70 -0.06 0.00 1.02 0.49 -1.25 119.74 123.21 3ipv s LYS 167 Ca 0.08 -0.46 0.03 0.00 0.02 0.00 0.00 55.97 55.63 3ipv s LYS 167 Cb -0.12 -3.28 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 3ipv s LYS 167 CO 0.02 -0.09 -0.14 0.08 -0.92 0.00 0.00 175.35 174.30 3ipv s VAL 168 N 1.35 3.07 -0.07 3.17 1.01 -0.02 -0.99 120.40 127.91 3ipv s VAL 168 Ca 0.05 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.35 3ipv s VAL 168 Cb -0.15 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.03 3ipv s VAL 168 CO 0.03 0.58 -0.17 -0.22 0.00 0.00 0.00 175.10 175.32 3ipv s LEU 169 N -0.59 1.85 -0.05 3.92 2.96 -0.47 -2.01 118.68 124.28 3ipv s LEU 169 Ca 0.09 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 3ipv s LEU 169 Cb -0.11 -1.06 0.00 0.00 0.50 0.00 0.00 46.19 45.52 3ipv s LEU 169 CO 0.01 0.10 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.37 3ipv s ILE 170 N 0.43 1.23 0.05 6.68 1.01 -0.39 -1.51 121.20 128.70 3ipv s ILE 170 Ca -0.14 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 59.95 3ipv s ILE 170 Cb -0.16 -1.09 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 3ipv s ILE 170 CO 0.05 0.37 -0.06 0.42 0.00 0.00 0.00 174.94 175.72 3ipv s THR 171 N 0.32 0.45 -0.05 2.92 -4.23 -0.56 -0.45 115.64 114.03 3ipv s THR 171 Ca -0.09 -1.31 -0.02 0.00 -1.18 0.00 0.00 61.69 59.09 3ipv s THR 171 Cb -0.13 -0.87 0.04 0.00 1.34 0.00 0.00 72.50 72.88 3ipv s THR 171 CO 0.03 -0.58 0.11 -0.47 -0.54 0.00 0.00 174.62 173.17 3ipv s TYR 172 N -2.16 -0.09 -0.30 3.99 5.04 -0.27 -1.34 117.35 122.21 3ipv s TYR 172 Ca -0.05 0.39 -0.06 0.00 -2.44 0.00 0.00 57.07 54.92 3ipv s TYR 172 Cb -0.05 -0.21 0.02 0.00 0.35 0.00 0.00 41.96 42.07 3ipv s TYR 172 CO -0.02 -0.17 0.07 1.21 -1.34 0.00 0.00 175.55 175.29 3ipv s ASN 173 N 1.53 5.07 0.24 4.32 3.84 -0.69 -2.09 114.94 127.16 3ipv s ASN 173 Ca -0.05 -0.87 -0.05 0.00 0.21 0.00 0.00 52.86 52.10 3ipv s ASN 173 Cb -0.12 -1.85 0.41 0.00 -0.55 0.00 0.00 41.25 39.15 3ipv s ASN 173 CO -0.05 -0.22 1.74 -1.28 -2.79 0.00 0.00 177.10 174.50 3ipv h SER 174 N 8.19 0.33 -0.28 -4.21 0.87 -1.87 1.61 113.55 118.19 3ipv h SER 174 Ca -0.29 0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.26 3ipv h SER 174 Cb 1.11 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 3ipv h SER 174 CO 0.60 0.15 -0.23 0.00 -0.53 0.00 0.00 176.83 176.82 3ipv h ALA 175 N 1.51 0.40 0.00 6.23 0.00 -1.94 -3.25 119.26 122.21 3ipv h ALA 175 Ca 0.39 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ipv h ALA 175 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3ipv h ALA 175 CO -0.36 0.37 -1.25 1.33 0.00 0.00 0.00 179.25 179.34 3ipv n VAL 176 N -4.33 0.13 -1.23 0.00 0.24 -1.10 -4.99 118.33 107.04 3ipv n VAL 176 Ca -0.04 -0.28 -0.08 0.00 -2.04 0.00 0.00 64.34 61.90 3ipv n VAL 176 Cb 0.43 0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 33.03 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 -1.99 -0.90 -3.21 7.34 5.02 0.55 -4.95 118.16 120.02 3ipv n LYS 177 Ca 0.01 0.71 -0.40 0.00 -2.02 0.00 0.00 58.31 56.62 3ipv n LYS 177 Cb 0.46 -4.65 -0.07 0.00 -0.02 0.00 0.00 35.03 30.74 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 -1.82 4.11 -0.12 -0.35 2.96 -1.14 -1.29 118.68 121.03 3ipv s LEU 178 Ca 0.00 0.66 -0.14 0.00 -0.22 0.00 0.00 54.13 54.44 3ipv s LEU 178 Cb 0.00 -2.74 -0.05 0.00 0.50 0.00 0.00 46.19 43.90 3ipv s LEU 178 CO 0.00 -0.24 0.32 -0.22 -1.32 0.00 0.00 176.35 174.89 3ipv s LEU 179 N 1.92 4.32 -0.04 -0.68 0.20 0.17 -1.70 118.68 122.87 3ipv s LEU 179 Ca 0.24 0.63 0.02 0.00 0.69 0.00 0.00 54.13 55.71 3ipv s LEU 179 Cb -0.16 -2.41 0.02 0.00 -0.43 0.00 0.00 46.19 43.21 3ipv s LEU 179 CO 0.09 0.18 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.58 3ipv s VAL 180 N -0.05 0.67 -0.07 1.68 1.01 -0.45 -1.52 120.40 121.67 3ipv s VAL 180 Ca 0.19 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.96 3ipv s VAL 180 Cb -0.14 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.60 3ipv s VAL 180 CO 0.07 0.25 -0.11 0.00 0.00 0.00 0.00 175.10 175.30 3ipv s ALA 181 N 0.73 1.26 0.04 5.51 0.00 0.08 -1.50 121.76 127.88 3ipv s ALA 181 Ca -0.11 -0.43 0.06 0.00 0.00 0.00 0.00 51.96 51.47 3ipv s ALA 181 Cb -0.14 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 3ipv s ALA 181 CO 0.01 0.00 -0.16 -1.54 0.00 0.00 0.00 175.76 174.07 3ipv s SER 182 N 0.88 1.92 -0.04 0.00 1.04 -0.57 -0.29 113.70 116.65 3ipv s SER 182 Ca -0.10 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 55.86 3ipv s SER 182 Cb -0.15 -0.14 0.02 0.00 0.10 0.00 0.00 66.02 65.85 3ipv s SER 182 CO 0.01 0.08 -0.05 -0.22 0.98 0.00 0.00 173.24 174.04 3ipv s LEU 183 N -1.14 1.38 0.03 2.42 0.20 -0.29 -1.37 118.68 119.90 3ipv s LEU 183 Ca 0.04 -0.14 0.07 0.00 0.69 0.00 0.00 54.13 54.79 3ipv s LEU 183 Cb -0.08 -0.47 -0.02 0.00 -0.43 0.00 0.00 46.19 45.19 3ipv s LEU 183 CO 0.01 -0.04 -0.21 -0.69 -0.29 0.00 0.00 176.35 175.13 3ipv s VAL 184 N 0.84 1.67 -0.39 1.68 1.01 -0.16 -0.92 120.40 124.12 3ipv s VAL 184 Ca -0.12 -1.12 -0.09 0.00 0.00 0.00 0.00 61.98 60.66 3ipv s VAL 184 Cb -0.14 -1.43 0.06 0.00 0.00 0.00 0.00 36.38 34.87 3ipv s VAL 184 CO 0.01 0.28 0.21 -0.31 0.00 0.00 0.00 175.10 175.29 3ipv s TYR 185 N -0.71 3.31 0.27 5.22 2.02 -0.60 -0.38 117.35 126.47 3ipv s TYR 185 Ca 0.08 -1.42 -0.03 0.00 -0.37 0.00 0.00 57.07 55.33 3ipv s TYR 185 Cb -0.09 -2.71 0.40 0.00 -0.40 0.00 0.00 41.96 39.16 3ipv s TYR 185 CO 0.01 -0.79 1.90 -1.35 -1.57 0.00 0.00 175.55 173.75 3ipv h PRO 186 N 8.36 1.16 -0.89 -1.71 0.11 -1.87 0.42 132.00 137.58 3ipv h PRO 186 Ca -0.23 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 3ipv h PRO 186 Cb 1.09 -0.26 -0.04 0.00 0.11 0.00 0.00 31.00 31.89 3ipv h PRO 186 CO 0.70 0.77 0.54 0.66 -0.21 0.00 0.00 178.00 180.47 3ipv h SER 187 N 1.20 1.07 0.00 -2.05 4.64 -1.94 -3.13 113.55 113.33 3ipv h SER 187 Ca 0.42 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3ipv h SER 187 Cb 0.11 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 3ipv h SER 187 CO -0.15 0.81 -1.50 -1.20 -0.87 0.00 0.00 176.83 173.92 3ipv n SER 188 N -4.37 0.61 -1.46 4.97 7.64 -1.01 -4.98 113.62 115.03 3ipv n SER 188 Ca 0.10 -0.41 -0.15 0.00 1.01 0.00 0.00 58.87 59.42 3ipv n SER 188 Cb 0.06 1.53 -0.03 0.00 -1.01 0.00 0.00 64.21 64.76 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 -1.89 -1.11 -3.84 1.43 5.02 0.14 -5.02 118.16 112.89 3ipv n LYS 189 Ca -0.01 0.83 -0.26 0.00 -2.02 0.00 0.00 58.31 56.85 3ipv n LYS 189 Cb 0.43 -5.06 -0.03 0.00 -0.02 0.00 0.00 35.03 30.35 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 -2.66 5.28 -0.13 -0.18 -4.23 -1.22 -4.94 115.64 107.56 3ipv s THR 190 Ca 0.00 -0.58 -0.20 0.00 -1.18 0.00 0.00 61.69 59.73 3ipv s THR 190 Cb 0.00 -3.75 0.05 0.00 1.34 0.00 0.00 72.50 70.14 3ipv s THR 190 CO 0.00 -0.14 0.51 -0.94 -0.54 0.00 0.00 174.62 173.51 3ipv s SER 191 N -3.26 -0.50 0.02 3.99 1.04 -1.26 -1.56 113.70 112.18 3ipv s SER 191 Ca 0.36 0.80 0.00 0.00 0.48 0.00 0.00 55.95 57.59 3ipv s SER 191 Cb -0.11 0.83 -0.02 0.00 0.10 0.00 0.00 66.02 66.82 3ipv s SER 191 CO 0.29 -0.31 -0.03 -0.36 0.98 0.00 0.00 173.24 173.81 3ipv s PHE 192 N -0.30 0.27 -0.01 5.02 0.08 -0.10 -4.99 117.98 117.95 3ipv s PHE 192 Ca -0.05 -0.54 -0.14 0.00 0.12 0.00 0.00 56.93 56.33 3ipv s PHE 192 Cb -0.03 -0.20 0.02 0.00 -0.57 0.00 0.00 43.02 42.24 3ipv s PHE 192 CO 0.03 -0.19 0.28 -1.50 -0.10 0.00 0.00 175.22 173.74 3ipv s ILE 193 N -1.50 0.06 -0.00 0.64 2.07 -1.26 -1.14 121.20 120.07 3ipv s ILE 193 Ca -0.16 -0.51 -0.02 0.00 -1.41 0.00 0.00 60.65 58.56 3ipv s ILE 193 Cb -0.10 -0.59 -0.00 0.00 0.13 0.00 0.00 42.46 41.90 3ipv s ILE 193 CO -0.01 -0.28 0.03 -0.22 -1.91 0.00 0.00 174.94 172.55 3ipv s LEU 194 N -1.35 1.94 -0.04 8.50 2.96 0.60 -4.90 118.68 126.40 3ipv s LEU 194 Ca -0.14 -0.16 -0.06 0.00 -0.22 0.00 0.00 54.13 53.55 3ipv s LEU 194 Cb -0.06 0.20 0.01 0.00 0.50 0.00 0.00 46.19 46.85 3ipv s LEU 194 CO 0.04 -0.16 0.15 0.00 -1.32 0.00 0.00 176.35 175.06 3ipv s ALA 195 N -0.68 -0.37 -0.09 5.97 0.00 -1.26 -0.74 121.76 124.58 3ipv s ALA 195 Ca -0.08 0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.85 3ipv s ALA 195 Cb -0.05 -0.15 0.08 0.00 0.00 0.00 0.00 23.12 23.01 3ipv s ALA 195 CO -0.00 -0.12 0.76 0.34 0.00 0.00 0.00 175.76 176.74 3ipv s ASP 196 N -0.38 -0.60 0.17 0.00 2.15 -0.58 -5.00 116.67 112.44 3ipv s ASP 196 Ca -0.05 0.70 -0.28 0.00 0.43 0.00 0.00 52.55 53.36 3ipv s ASP 196 Cb -0.03 0.55 -0.08 0.00 -0.30 0.00 0.00 42.92 43.06 3ipv s ASP 196 CO 0.01 -0.52 0.87 0.27 -0.17 0.00 0.00 175.17 175.62 3ipv s ILE 197 N -1.05 4.33 -0.03 4.11 -5.25 -1.26 -0.65 121.20 121.39 3ipv s ILE 197 Ca -0.08 1.90 -0.01 0.00 -0.99 0.00 0.00 60.65 61.47 3ipv s ILE 197 Cb -0.01 -4.24 0.03 0.00 2.95 0.00 0.00 42.46 41.20 3ipv s ILE 197 CO 0.07 0.46 0.05 -0.69 -1.79 0.00 0.00 174.94 173.04 3ipv s VAL 198 N -0.82 -0.09 -0.86 8.37 1.01 -0.41 -4.94 120.40 122.66 3ipv s VAL 198 Ca 0.40 0.33 -0.20 0.00 0.00 0.00 0.00 61.98 62.50 3ipv s VAL 198 Cb -0.24 -0.12 0.11 0.00 0.00 0.00 0.00 36.38 36.12 3ipv s VAL 198 CO 0.29 0.14 1.11 -0.62 0.00 0.00 0.00 175.10 176.01 3ipv s ASP 199 N 1.65 6.49 0.43 3.32 2.15 -1.26 -4.76 116.67 124.70 3ipv s ASP 199 Ca -0.02 -1.71 0.10 0.00 0.43 0.00 0.00 52.55 51.36 3ipv s ASP 199 Cb -0.12 -2.42 0.95 0.00 -0.30 0.00 0.00 42.92 41.02 3ipv s ASP 199 CO -0.03 -1.20 2.05 -0.07 -0.17 0.00 0.00 175.17 175.74 3ipv h LEU 200 N 10.87 0.29 -1.02 -1.34 3.38 -1.98 -2.79 115.31 122.73 3ipv h LEU 200 Ca 0.04 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3ipv h LEU 200 Cb 1.04 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 3ipv h LEU 200 CO 1.16 0.26 0.67 -1.28 0.09 0.00 0.00 178.44 179.34 3ipv h SER 201 N 0.33 1.15 1.00 -0.43 0.87 -1.91 0.12 113.55 114.69 3ipv h SER 201 Ca 0.08 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3ipv h SER 201 Cb 0.06 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 3ipv h SER 201 CO -0.01 0.83 -0.25 -1.54 -0.53 0.00 0.00 176.83 175.34 3ipv n SER 202 N -4.38 0.49 -0.05 6.23 3.41 -1.06 -4.51 113.62 113.75 3ipv n SER 202 Ca 0.12 0.29 -0.11 0.00 -0.26 0.00 0.00 58.87 58.91 3ipv n SER 202 Cb 0.01 -0.28 -0.04 0.00 -0.26 0.00 0.00 64.21 63.64 3ipv n SER 202 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3ipv n VAL 203 N -1.86 0.58 -3.29 -3.33 0.24 -0.81 -5.05 118.33 104.82 3ipv n VAL 203 Ca 0.05 -0.15 -0.32 0.00 -2.04 0.00 0.00 64.34 61.88 3ipv n VAL 203 Cb 0.39 -1.58 -0.06 0.00 -1.47 0.00 0.00 33.84 31.12 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 -6.50 4.12 1.10 1.34 1.43 0.36 -4.38 118.68 116.16 3ipv s LEU 204 Ca -0.15 1.09 -0.14 0.00 -1.03 0.00 0.00 54.13 53.90 3ipv s LEU 204 Cb 0.06 -3.87 0.24 0.00 0.03 0.00 0.00 46.19 42.65 3ipv s LEU 204 CO 0.19 -0.14 1.06 -2.16 0.23 0.00 0.00 176.35 175.54 3ipv s PRO 205 N -2.90 -0.42 0.45 1.29 0.04 -1.26 -4.74 135.00 127.46 3ipv s PRO 205 Ca 0.51 0.51 0.16 0.00 0.04 0.00 0.00 61.00 62.21 3ipv s PRO 205 Cb -0.11 -1.64 1.09 0.00 0.04 0.00 0.00 34.50 33.88 3ipv s PRO 205 CO 0.19 -3.30 1.98 0.93 0.04 0.00 0.00 177.00 176.84 3ipv h GLU 206 N -2.31 0.33 -5.32 4.56 5.08 -1.95 -3.42 114.58 111.56 3ipv h GLU 206 Ca -0.56 -0.02 -0.64 0.00 -1.00 0.00 0.00 59.36 57.13 3ipv h GLU 206 Cb 1.33 -0.08 -0.33 0.00 0.50 0.00 0.00 28.75 30.18 3ipv h GLU 206 CO 0.52 0.22 -0.87 -1.58 -1.00 0.00 0.00 179.01 176.31 3ipv s TRP 207 N -5.33 2.29 0.24 4.33 0.52 -1.26 0.40 118.94 120.12 3ipv s TRP 207 Ca -0.07 -0.86 0.01 0.00 0.02 0.00 0.00 56.10 55.19 3ipv s TRP 207 Cb 0.20 -1.54 -0.05 0.00 -1.15 0.00 0.00 33.47 30.93 3ipv s TRP 207 CO 0.75 -0.34 0.09 0.14 0.02 0.00 0.00 176.95 177.61 3ipv s VAL 208 N 0.28 0.48 0.11 4.03 -7.23 -0.26 -4.03 120.40 113.79 3ipv s VAL 208 Ca -0.14 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.13 3ipv s VAL 208 Cb -0.16 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 3ipv s VAL 208 CO 0.07 -0.04 -0.26 -0.13 -0.31 0.00 0.00 175.10 174.43 3ipv s ARG 209 N -4.04 1.42 0.09 4.82 0.52 -0.73 0.31 118.95 121.34 3ipv s ARG 209 Ca 0.37 -1.29 0.08 0.00 -0.52 0.00 0.00 55.73 54.38 3ipv s ARG 209 Cb 0.08 -1.84 -0.03 0.00 0.52 0.00 0.00 34.95 33.67 3ipv s ARG 209 CO 0.13 0.44 -0.22 0.14 0.02 0.00 0.00 175.30 175.81 3ipv s VAL 210 N -1.03 1.77 -1.07 3.52 -7.23 -1.26 -2.65 120.40 112.45 3ipv s VAL 210 Ca 0.13 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 3ipv s VAL 210 Cb -0.10 -1.59 0.00 0.00 0.56 0.00 0.00 36.38 35.25 3ipv s VAL 210 CO 0.05 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.46 3ipv n GLY 211 N 1.20 -0.75 3.35 2.32 0.00 -0.71 -1.88 105.19 108.73 3ipv n GLY 211 Ca -0.19 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 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 1.91 -0.07 1.61 0.08 -0.11 -1.02 117.98 116.39 3ipv s PHE 212 Ca 0.00 -0.45 -0.13 0.00 0.12 0.00 0.00 56.93 56.47 3ipv s PHE 212 Cb 0.00 -0.94 0.03 0.00 -0.57 0.00 0.00 43.02 41.53 3ipv s PHE 212 CO 0.00 0.38 0.31 0.45 -0.10 0.00 0.00 175.22 176.26 3ipv s SER 213 N -2.72 -0.26 0.01 1.36 0.15 -0.20 -1.91 113.70 110.13 3ipv s SER 213 Ca 0.17 0.36 -0.21 0.00 0.70 0.00 0.00 55.95 56.98 3ipv s SER 213 Cb -0.06 0.49 0.04 0.00 -1.71 0.00 0.00 66.02 64.78 3ipv s SER 213 CO 0.07 -0.28 0.47 0.00 1.20 0.00 0.00 173.24 174.70 3ipv s ALA 214 N -0.57 -1.18 -0.02 5.45 0.00 -1.01 0.56 121.76 124.98 3ipv s ALA 214 Ca -0.07 0.60 -0.05 0.00 0.00 0.00 0.00 51.96 52.45 3ipv s ALA 214 Cb -0.04 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.28 3ipv s ALA 214 CO 0.02 -0.39 0.11 0.00 0.00 0.00 0.00 175.76 175.50 3ipv s ALA 215 N -1.86 -0.26 0.33 0.00 0.00 -0.32 -2.55 121.76 117.10 3ipv s ALA 215 Ca -0.09 0.07 0.06 0.00 0.00 0.00 0.00 51.96 52.00 3ipv s ALA 215 Cb -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 3ipv s ALA 215 CO 0.02 -0.12 0.47 0.95 0.00 0.00 0.00 175.76 177.09 3ipv s THR 216 N -0.61 4.22 0.70 0.00 -4.23 -0.38 0.20 115.64 115.54 3ipv s THR 216 Ca -0.07 -0.96 -0.16 0.00 -1.18 0.00 0.00 61.69 59.32 3ipv s THR 216 Cb -0.04 -3.47 0.02 0.00 1.34 0.00 0.00 72.50 70.34 3ipv s THR 216 CO 0.00 -0.19 1.24 0.61 -0.54 0.00 0.00 174.62 175.74 3ipv n GLY 217 N -1.65 0.30 0.17 3.99 0.00 0.02 -4.18 105.19 103.85 3ipv n GLY 217 Ca -0.01 -0.26 0.01 0.00 0.00 0.00 0.00 46.02 45.75 3ipv n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ipv h ALA 218 N 0.05 1.23 -2.79 4.61 0.00 -1.96 -0.35 119.26 120.05 3ipv h ALA 218 Ca -0.49 -0.41 -0.59 0.00 0.00 0.00 0.00 54.91 53.41 3ipv h ALA 218 Cb 1.33 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 3ipv h ALA 218 CO 0.50 0.57 -0.38 -1.12 0.00 0.00 0.00 179.25 178.83 3ipv s SER 219 N -6.90 6.45 0.24 0.00 0.01 -1.26 -4.66 113.70 107.58 3ipv s SER 219 Ca -0.03 0.48 -0.30 0.00 1.31 0.00 0.00 55.95 57.41 3ipv s SER 219 Cb 0.14 -2.04 -0.14 0.00 0.21 0.00 0.00 66.02 64.18 3ipv s SER 219 CO 0.74 0.09 1.13 0.29 0.41 0.00 0.00 173.24 175.91 3ipv n LYS 220 N 0.16 1.43 0.00 12.44 4.76 -1.26 -2.47 118.16 133.22 3ipv n LYS 220 Ca -0.03 0.50 0.00 0.00 -2.87 0.00 0.00 58.31 55.91 3ipv n LYS 220 Cb 0.51 -1.97 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 3ipv n LYS 220 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ipv n GLY 221 N 1.61 2.05 3.32 0.72 0.00 -1.26 -4.95 105.19 106.69 3ipv n GLY 221 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 3ipv n GLY 221 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ipv s TYR 222 N -2.34 4.25 -0.02 1.61 2.02 -1.03 -4.63 117.35 117.21 3ipv s TYR 222 Ca 0.00 -2.74 -0.04 0.00 -0.37 0.00 0.00 57.07 53.92 3ipv s TYR 222 Cb 0.00 -3.78 0.00 0.00 -0.40 0.00 0.00 41.96 37.78 3ipv s TYR 222 CO 0.00 -0.93 0.09 0.96 -1.57 0.00 0.00 175.55 174.11 3ipv s ILE 223 N -1.30 0.05 0.04 2.71 -4.36 -1.22 -0.80 121.20 116.32 3ipv s ILE 223 Ca 0.31 -0.40 -0.27 0.00 -0.26 0.00 0.00 60.65 60.03 3ipv s ILE 223 Cb -0.10 -0.27 0.09 0.00 1.25 0.00 0.00 42.46 43.43 3ipv s ILE 223 CO -0.08 -0.22 0.78 -1.83 0.24 0.00 0.00 174.94 173.83 3ipv s GLU 224 N -0.70 0.98 0.44 0.37 -1.05 -1.25 -4.54 118.70 112.95 3ipv s GLU 224 Ca -0.08 -0.28 -0.11 0.00 -0.15 0.00 0.00 54.97 54.36 3ipv s GLU 224 Cb -0.05 0.45 -0.06 0.00 -0.44 0.00 0.00 34.13 34.03 3ipv s GLU 224 CO 0.00 -0.41 0.82 0.95 0.95 0.00 0.00 175.26 177.57 3ipv s THR 225 N -3.02 4.76 -0.50 1.83 -4.23 -0.11 -4.74 115.64 109.62 3ipv s THR 225 Ca 0.02 0.67 0.03 0.00 -1.18 0.00 0.00 61.69 61.23 3ipv s THR 225 Cb -0.01 -3.75 0.16 0.00 1.34 0.00 0.00 72.50 70.23 3ipv s THR 225 CO -0.08 -0.62 0.35 -1.00 -0.54 0.00 0.00 174.62 172.73 3ipv s HIS 226 N -2.50 2.07 -0.29 3.99 0.09 -1.26 -3.89 115.29 113.50 3ipv s HIS 226 Ca 0.52 -2.62 -0.11 0.00 -0.00 0.00 0.00 55.06 52.85 3ipv s HIS 226 Cb -0.10 -1.74 -0.04 0.00 -0.00 0.00 0.00 32.58 30.69 3ipv s HIS 226 CO 0.34 -0.73 0.19 -0.51 -0.00 0.00 0.00 174.74 174.03 3ipv s ASP 227 N -0.23 6.00 -0.16 1.40 1.01 -0.01 -1.70 116.67 122.98 3ipv s ASP 227 Ca 0.25 -0.08 -0.13 0.00 0.71 0.00 0.00 52.55 53.29 3ipv s ASP 227 Cb -0.09 -2.12 -0.05 0.00 1.01 0.00 0.00 42.92 41.68 3ipv s ASP 227 CO -0.11 -0.08 0.26 -0.69 0.21 0.00 0.00 175.17 174.76 3ipv s VAL 228 N 1.75 5.32 -0.19 -1.27 1.01 0.11 -0.30 120.40 126.83 3ipv s VAL 228 Ca 0.07 0.49 0.10 0.00 0.00 0.00 0.00 61.98 62.63 3ipv s VAL 228 Cb -0.16 -3.60 -0.22 0.00 0.00 0.00 0.00 36.38 32.39 3ipv s VAL 228 CO 0.11 0.40 0.10 0.49 0.00 0.00 0.00 175.10 176.20 3ipv n PHE 229 N 3.52 0.29 -3.50 5.22 3.72 0.55 -1.44 117.46 125.81 3ipv n PHE 229 Ca -0.13 0.08 -0.11 0.00 -0.05 0.00 0.00 57.45 57.25 3ipv n PHE 229 Cb 0.52 -1.05 -0.02 0.00 -0.94 0.00 0.00 39.48 37.99 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 -6.07 -0.48 -0.28 4.37 1.04 -1.20 -4.27 113.70 106.81 3ipv s SER 230 Ca -0.18 -0.12 -0.16 0.00 0.48 0.00 0.00 55.95 55.97 3ipv s SER 230 Cb 0.07 0.59 0.09 0.00 0.10 0.00 0.00 66.02 66.88 3ipv s SER 230 CO 0.75 -0.99 0.73 0.86 0.98 0.00 0.00 173.24 175.58 3ipv s TRP 231 N -3.78 -1.00 0.06 5.02 -0.00 -0.59 -2.05 118.94 116.60 3ipv s TRP 231 Ca 0.03 1.99 0.02 0.00 -0.00 0.00 0.00 56.10 58.14 3ipv s TRP 231 Cb -0.01 0.60 -0.03 0.00 -0.00 0.00 0.00 33.47 34.03 3ipv s TRP 231 CO -0.11 -0.50 -0.08 -1.54 -0.00 0.00 0.00 176.95 174.73 3ipv s SER 232 N 1.66 0.99 -0.10 5.86 1.04 0.14 -0.85 113.70 122.44 3ipv s SER 232 Ca -0.10 -0.64 -0.15 0.00 0.48 0.00 0.00 55.95 55.53 3ipv s SER 232 Cb -0.05 0.04 0.04 0.00 0.10 0.00 0.00 66.02 66.14 3ipv s SER 232 CO -0.19 -0.24 0.40 0.12 0.98 0.00 0.00 173.24 174.30 3ipv s PHE 233 N -1.81 -0.38 -0.22 5.02 2.19 -0.46 -0.49 117.98 121.83 3ipv s PHE 233 Ca -0.05 0.84 -0.13 0.00 0.33 0.00 0.00 56.93 57.92 3ipv s PHE 233 Cb -0.07 0.15 0.07 0.00 -1.31 0.00 0.00 43.02 41.86 3ipv s PHE 233 CO -0.00 -0.30 0.54 0.00 1.83 0.00 0.00 175.22 177.29 3ipv s ALA 234 N -0.36 -1.42 0.13 11.12 0.00 -0.51 -1.08 121.76 129.65 3ipv s ALA 234 Ca -0.05 1.90 0.08 0.00 0.00 0.00 0.00 51.96 53.88 3ipv s ALA 234 Cb -0.03 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 3ipv s ALA 234 CO 0.02 -0.31 -0.18 -1.54 0.00 0.00 0.00 175.76 173.75 3ipv s SER 235 N 1.38 2.45 -0.14 0.00 1.04 -0.18 -1.17 113.70 117.07 3ipv s SER 235 Ca -0.09 -0.78 -0.04 0.00 0.48 0.00 0.00 55.95 55.52 3ipv s SER 235 Cb -0.07 -0.13 0.07 0.00 0.10 0.00 0.00 66.02 65.99 3ipv s SER 235 CO -0.14 -0.03 0.17 -0.75 0.98 0.00 0.00 173.24 173.47 3ipv s LYS 236 N -2.44 0.10 -0.41 4.02 2.20 0.26 -3.06 119.74 120.42 3ipv s LYS 236 Ca 0.10 0.32 -0.08 0.00 -0.36 0.00 0.00 55.97 55.96 3ipv s LYS 236 Cb -0.07 -0.89 0.08 0.00 -1.51 0.00 0.00 37.83 35.44 3ipv s LYS 236 CO 0.05 -0.50 0.23 -1.17 -0.36 0.00 0.00 175.35 173.60 3ipv s LEU 237 N 2.28 5.08 0.23 5.43 2.96 -0.05 -1.84 118.68 132.78 3ipv s LEU 237 Ca 0.04 -1.57 -0.30 0.00 -0.22 0.00 0.00 54.13 52.08 3ipv s LEU 237 Cb -0.14 -1.94 -0.09 0.00 0.50 0.00 0.00 46.19 44.52 3ipv s LEU 237 CO -0.09 -0.52 0.98 0.00 -1.32 0.00 0.00 176.35 175.40 3ipv s ALA 238 N 1.37 3.34 -2.47 5.97 0.00 -1.26 -0.88 121.76 127.82 3ipv s ALA 238 Ca 0.03 0.67 0.28 0.00 0.00 0.00 0.00 51.96 52.95 3ipv s ALA 238 Cb -0.23 -3.24 1.09 0.00 0.00 0.00 0.00 23.12 20.74 3ipv s ALA 238 CO 0.01 0.11 1.77 0.41 0.00 0.00 0.00 175.76 178.05