#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2isa n LYS 4 N 0.00 1.96 -2.48 -1.46 5.02 -1.26 -4.97 118.16 114.97 2isa n LYS 4 Ca 0.00 -1.85 -0.40 0.00 -2.02 0.00 0.00 58.31 54.04 2isa n LYS 4 Cb 0.00 -1.40 -0.04 0.00 -0.02 0.00 0.00 35.03 33.57 2isa n LYS 4 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2isa s LYS 5 N -1.48 4.62 0.04 1.97 1.02 -1.26 -4.99 119.74 119.66 2isa s LYS 5 Ca 0.27 1.78 -0.29 0.00 0.02 0.00 0.00 55.97 57.75 2isa s LYS 5 Cb 0.17 -3.15 -0.05 0.00 -0.52 0.00 0.00 37.83 34.29 2isa s LYS 5 CO 0.25 0.20 0.91 -1.17 -0.92 0.00 0.00 175.35 174.62 2isa s LEU 6 N -1.51 4.43 0.30 3.17 2.96 -1.26 -5.04 118.68 121.72 2isa s LEU 6 Ca 0.45 1.64 0.03 0.00 -0.22 0.00 0.00 54.13 56.02 2isa s LEU 6 Cb -0.31 -3.48 -0.06 0.00 0.50 0.00 0.00 46.19 42.84 2isa s LEU 6 CO 0.40 -0.13 0.08 0.42 -1.32 0.00 0.00 176.35 175.80 2isa s THR 7 N 0.43 0.92 0.95 3.68 -4.23 -1.26 -1.83 115.64 114.30 2isa s THR 7 Ca 0.47 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.85 2isa s THR 7 Cb -0.22 -2.73 0.16 0.00 1.34 0.00 0.00 72.50 71.06 2isa s THR 7 CO 0.27 0.00 1.12 0.42 -0.54 0.00 0.00 174.62 175.89 2isa s THR 8 N -3.49 2.00 0.55 3.99 -4.23 0.51 -4.83 115.64 110.14 2isa s THR 8 Ca 0.37 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 61.10 2isa s THR 8 Cb 0.08 -2.66 0.31 0.00 1.34 0.00 0.00 72.50 71.57 2isa s THR 8 CO 0.15 0.00 2.15 0.00 -0.54 0.00 0.00 174.62 176.38 2isa h ALA 9 N -1.65 1.92 -0.15 3.99 0.00 -2.01 -0.67 119.26 120.70 2isa h ALA 9 Ca -0.52 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2isa h ALA 9 Cb 1.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2isa h ALA 9 CO 0.60 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.75 2isa n ALA 10 N -2.48 2.53 -0.67 0.00 0.00 -1.26 -4.94 120.51 113.69 2isa n ALA 10 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2isa n ALA 10 Cb 0.17 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2isa n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2isa n GLY 11 N 1.15 0.65 3.72 0.00 0.00 -0.26 -5.05 105.19 105.40 2isa n GLY 11 Ca 0.17 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2isa n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2isa n PRO 13 N 3.48 1.70 -3.57 0.00 -0.02 -1.26 -0.36 135.00 134.97 2isa n PRO 13 Ca 0.07 0.60 -0.39 0.00 -2.02 0.00 0.00 63.50 61.75 2isa n PRO 13 Cb 0.47 -2.12 -0.11 0.00 -0.02 0.00 0.00 33.50 31.72 2isa n PRO 13 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2isa s VAL 14 N -0.66 5.19 0.01 -1.45 1.01 -0.76 -4.78 120.40 118.96 2isa s VAL 14 Ca 0.63 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.56 2isa s VAL 14 Cb -0.68 -3.60 -0.24 0.00 0.00 0.00 0.00 36.38 31.87 2isa s VAL 14 CO 0.57 0.09 0.88 0.00 0.00 0.00 0.00 175.10 176.64 2isa h ALA 15 N 8.43 0.53 -3.19 5.51 0.00 -1.93 -3.45 119.26 125.15 2isa h ALA 15 Ca -0.33 -1.22 -0.60 0.00 0.00 0.00 0.00 54.91 52.76 2isa h ALA 15 Cb 1.17 0.26 -0.40 0.00 0.00 0.00 0.00 17.79 18.81 2isa h ALA 15 CO 0.60 1.38 -0.74 -1.01 0.00 0.00 0.00 179.25 179.48 2isa s HIS 16 N -2.63 2.14 -1.38 0.00 3.76 -1.26 -4.94 115.29 110.98 2isa s HIS 16 Ca -0.05 -2.17 0.15 0.00 -0.15 0.00 0.00 55.06 52.84 2isa s HIS 16 Cb 0.08 -1.98 0.38 0.00 1.11 0.00 0.00 32.58 32.17 2isa s HIS 16 CO 0.83 -0.86 1.30 -1.71 -0.85 0.00 0.00 174.74 173.45 2isa n ASN 17 N 4.34 3.14 -0.02 1.40 5.15 -1.26 -4.62 115.26 123.39 2isa n ASN 17 Ca 0.02 -1.95 -0.02 0.00 -0.60 0.00 0.00 54.58 52.03 2isa n ASN 17 Cb 0.40 -0.27 -0.03 0.00 -0.53 0.00 0.00 39.78 39.34 2isa n ASN 17 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2isa n GLN 18 N 0.90 3.24 -3.90 1.20 1.13 -1.26 -5.03 117.38 113.66 2isa n GLN 18 Ca 0.15 -0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 55.01 2isa n GLN 18 Cb 0.48 -1.11 -0.17 0.00 0.11 0.00 0.00 30.24 29.55 2isa n GLN 18 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2isa s ASN 19 N -3.52 1.03 0.71 1.08 0.01 -1.26 -5.15 114.94 107.84 2isa s ASN 19 Ca -0.02 -0.06 -0.11 0.00 -0.71 0.00 0.00 52.86 51.96 2isa s ASN 19 Cb 0.01 -0.34 0.02 0.00 0.41 0.00 0.00 41.25 41.35 2isa s ASN 19 CO 0.18 -0.14 1.07 0.68 -1.51 0.00 0.00 177.10 177.38 2isa s VAL 20 N 1.45 3.85 -0.09 1.60 -7.23 -1.26 -4.94 120.40 113.77 2isa s VAL 20 Ca -0.03 0.60 -0.28 0.00 -1.81 0.00 0.00 61.98 60.46 2isa s VAL 20 Cb -0.13 -3.33 -0.02 0.00 0.56 0.00 0.00 36.38 33.45 2isa s VAL 20 CO -0.03 -0.78 0.92 -1.58 -0.31 0.00 0.00 175.10 173.32 2isa s GLN 21 N -5.06 4.43 0.20 4.82 0.74 -1.26 -5.03 119.66 118.51 2isa s GLN 21 Ca 0.59 1.25 0.05 0.00 0.05 0.00 0.00 55.36 57.29 2isa s GLN 21 Cb -0.14 -3.52 -0.05 0.00 1.10 0.00 0.00 33.01 30.40 2isa s GLN 21 CO 0.55 -0.20 -0.06 0.95 -0.55 0.00 0.00 175.29 175.98 2isa s THR 22 N 1.62 1.23 -1.09 -0.34 -4.23 -1.26 -1.17 115.64 110.40 2isa s THR 22 Ca 0.46 -2.07 -0.19 0.00 -1.18 0.00 0.00 61.69 58.70 2isa s THR 22 Cb -0.19 -2.15 0.10 0.00 1.34 0.00 0.00 72.50 71.60 2isa s THR 22 CO 0.19 -0.50 1.43 0.00 -0.54 0.00 0.00 174.62 175.20 2isa s ALA 23 N -3.29 3.23 0.00 3.99 0.00 -0.13 -4.83 121.76 120.72 2isa s ALA 23 Ca 0.24 -2.72 0.00 0.00 0.00 0.00 0.00 51.96 49.48 2isa s ALA 23 Cb 0.04 -4.36 0.00 0.00 0.00 0.00 0.00 23.12 18.79 2isa s ALA 23 CO 0.06 -3.24 0.00 0.41 0.00 0.00 0.00 175.76 172.99 2isa n GLY 24 N 5.74 -0.99 0.36 0.00 0.00 -1.26 -3.35 105.19 105.69 2isa n GLY 24 Ca 0.35 -1.63 0.07 0.00 0.00 0.00 0.00 46.02 44.81 2isa n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2isa h LYS 25 N 0.00 0.96 -0.09 1.61 1.57 -2.00 -2.77 116.57 115.85 2isa h LYS 25 Ca 0.00 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2isa h LYS 25 Cb 0.00 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 2isa h LYS 25 CO 0.00 0.63 -0.14 0.54 -0.57 0.00 0.00 179.45 179.91 2isa n ARG 26 N -4.62 1.71 -2.84 3.15 5.12 -1.26 -5.04 116.66 112.87 2isa n ARG 26 Ca 0.19 -2.90 -0.19 0.00 -1.93 0.00 0.00 57.85 53.02 2isa n ARG 26 Cb 0.36 -1.63 0.02 0.00 -1.16 0.00 0.00 32.46 30.05 2isa n ARG 26 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2isa s GLY 27 N -2.77 1.89 0.82 -0.13 0.00 -1.05 -5.06 107.32 101.03 2isa s GLY 27 Ca 0.37 -1.51 -0.12 0.00 0.00 0.00 0.00 44.72 43.46 2isa s GLY 27 CO 0.01 -1.28 1.17 -4.14 0.00 0.00 0.00 173.10 168.86 2isa s PRO 28 N -4.54 1.60 0.39 2.90 0.02 -1.26 -4.35 135.00 129.77 2isa s PRO 28 Ca 0.56 1.60 -0.25 0.00 0.02 0.00 0.00 61.00 62.93 2isa s PRO 28 Cb -0.10 -1.79 -0.09 0.00 0.02 0.00 0.00 34.50 32.54 2isa s PRO 28 CO 0.35 -2.21 1.11 -1.14 -0.33 0.00 0.00 177.00 174.79 2isa s GLN 29 N -4.38 4.15 -0.04 5.54 0.74 -1.26 -0.96 119.66 123.45 2isa s GLN 29 Ca 0.69 1.68 -0.13 0.00 0.05 0.00 0.00 55.36 57.65 2isa s GLN 29 Cb -0.25 -2.65 -0.05 0.00 1.10 0.00 0.00 33.01 31.16 2isa s GLN 29 CO 0.53 -0.20 0.35 -0.51 -0.55 0.00 0.00 175.29 174.91 2isa s LEU 30 N -2.48 4.43 0.44 3.68 1.43 -0.32 -4.87 118.68 121.00 2isa s LEU 30 Ca 0.56 0.83 0.11 0.00 -1.03 0.00 0.00 54.13 54.60 2isa s LEU 30 Cb -0.27 -2.48 0.99 0.00 0.03 0.00 0.00 46.19 44.46 2isa s LEU 30 CO 0.34 0.31 2.06 0.25 0.23 0.00 0.00 176.35 179.53 2isa h LEU 31 N 5.02 0.23 0.00 1.79 5.85 -1.96 -2.94 115.31 123.30 2isa h LEU 31 Ca -0.51 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.20 2isa h LEU 31 Cb 1.21 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2isa h LEU 31 CO 0.63 0.23 0.00 0.00 -0.34 0.00 0.00 178.44 178.95 2isa n GLN 32 N -4.45 0.58 -2.49 1.25 10.64 -1.26 -4.22 117.38 117.43 2isa n GLN 32 Ca -0.00 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.77 2isa n GLN 32 Cb 0.12 -1.41 -0.02 0.00 -0.86 0.00 0.00 30.24 28.07 2isa n GLN 32 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2isa s ASP 33 N -1.90 6.44 0.28 2.61 -1.08 -1.11 -4.77 116.67 117.14 2isa s ASP 33 Ca 0.23 -1.87 0.15 0.00 -0.52 0.00 0.00 52.55 50.53 2isa s ASP 33 Cb 0.10 -2.58 0.13 0.00 -1.46 0.00 0.00 42.92 39.12 2isa s ASP 33 CO 0.18 -1.57 1.47 -0.37 0.52 0.00 0.00 175.17 175.39 2isa h VAL 34 N 6.21 0.93 -0.53 1.11 -1.51 -1.91 -2.85 116.25 117.71 2isa h VAL 34 Ca 0.31 -2.23 -0.03 0.00 -1.23 0.00 0.00 66.70 63.52 2isa h VAL 34 Cb 0.94 2.40 -0.02 0.00 -2.13 0.00 0.00 31.29 32.47 2isa h VAL 34 CO 1.41 0.52 0.21 -0.25 -1.23 0.00 0.00 177.57 178.23 2isa h TRP 35 N 0.00 0.81 -0.24 5.19 -0.00 -1.95 -0.58 115.95 119.18 2isa h TRP 35 Ca -0.01 -0.06 0.05 0.00 -0.00 0.00 0.00 58.89 58.87 2isa h TRP 35 Cb 1.35 -0.24 -0.04 0.00 -0.00 0.00 0.00 29.16 30.23 2isa h TRP 35 CO 0.00 0.66 -0.04 0.35 -0.00 0.00 0.00 178.44 179.41 2isa h PHE 36 N 0.72 -0.09 -0.19 2.65 3.57 -1.89 0.04 116.94 121.75 2isa h PHE 36 Ca 0.18 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.70 2isa h PHE 36 Cb 0.20 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 2isa h PHE 36 CO 0.01 -0.08 0.11 -0.07 -2.23 0.00 0.00 178.31 176.04 2isa h LEU 37 N 0.03 0.18 0.17 0.59 3.38 -1.27 -1.61 115.31 116.77 2isa h LEU 37 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2isa h LEU 37 Cb 0.17 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2isa h LEU 37 CO -0.23 0.13 -0.08 -0.08 0.09 0.00 0.00 178.44 178.27 2isa h GLU 38 N 0.23 -0.22 -0.55 1.13 4.81 -0.99 -0.34 114.58 118.65 2isa h GLU 38 Ca 0.07 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.41 2isa h GLU 38 Cb -0.01 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.35 2isa h GLU 38 CO -0.03 0.02 0.14 -0.22 -0.73 0.00 0.00 179.01 178.18 2isa h LYS 39 N -0.43 0.27 -0.08 1.92 3.64 -0.95 -1.17 116.57 119.76 2isa h LYS 39 Ca -0.02 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.14 2isa h LYS 39 Cb 0.34 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2isa h LYS 39 CO 0.04 0.18 -0.79 -0.07 -2.27 0.00 0.00 179.45 176.54 2isa h LEU 40 N 0.28 0.61 -1.04 5.20 -0.00 -1.27 -1.91 115.31 117.18 2isa h LEU 40 Ca 0.28 -0.42 -0.06 0.00 -0.00 0.00 0.00 57.88 57.69 2isa h LEU 40 Cb 0.39 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 40.84 2isa h LEU 40 CO -0.35 1.18 0.07 0.00 -0.00 0.00 0.00 178.44 179.35 2isa h ALA 41 N 0.80 1.21 -0.20 1.53 0.00 -0.71 0.13 119.26 122.02 2isa h ALA 41 Ca -0.05 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 2isa h ALA 41 Cb 1.39 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2isa h ALA 41 CO 0.14 0.53 -0.40 0.45 0.00 0.00 0.00 179.25 179.97 2isa h HIS 42 N 0.73 0.79 -0.85 0.00 3.86 -1.22 -3.14 115.15 115.32 2isa h HIS 42 Ca 0.15 -0.29 0.10 0.00 -1.16 0.00 0.00 60.37 59.18 2isa h HIS 42 Cb 0.34 -0.15 -0.07 0.00 1.06 0.00 0.00 27.41 28.59 2isa h HIS 42 CO 0.02 1.04 0.49 0.35 0.86 0.00 0.00 177.93 180.69 2isa h PHE 43 N 0.31 0.89 0.00 2.45 3.57 -0.98 -1.26 116.94 121.92 2isa h PHE 43 Ca 0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2isa h PHE 43 Cb 1.00 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.47 2isa h PHE 43 CO 0.09 0.36 0.00 -0.25 -2.23 0.00 0.00 178.31 176.28 2isa n ASP 44 N -4.73 0.33 -0.11 0.41 8.00 0.41 -2.82 116.55 118.06 2isa n ASP 44 Ca 0.14 0.60 0.08 0.00 0.71 0.00 0.00 54.79 56.32 2isa n ASP 44 Cb 0.28 -0.67 0.11 0.00 -0.02 0.00 0.00 41.12 40.83 2isa n ASP 44 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2isa n ARG 45 N -1.89 1.29 0.21 -1.24 1.74 -0.49 -4.76 116.66 111.51 2isa n ARG 45 Ca 0.02 -2.31 0.04 0.00 -0.77 0.00 0.00 57.85 54.83 2isa n ARG 45 Cb 0.15 -1.35 0.44 0.00 -1.02 0.00 0.00 32.46 30.67 2isa n ARG 45 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2isa h GLU 46 N 0.00 0.00 -5.64 5.56 5.08 -1.35 -3.44 114.58 114.78 2isa h GLU 46 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 2isa h GLU 46 Cb 1.00 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.16 2isa h GLU 46 CO 0.00 0.28 -0.29 0.08 -1.00 0.00 0.00 179.01 178.09 2isa s VAL 47 N -4.35 5.25 0.36 3.13 1.01 -1.26 -5.10 120.40 119.44 2isa s VAL 47 Ca -0.03 0.64 0.08 0.00 0.00 0.00 0.00 61.98 62.67 2isa s VAL 47 Cb 0.15 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 2isa s VAL 47 CO 0.70 0.44 0.15 0.27 0.00 0.00 0.00 175.10 176.66 2isa s ILE 48 N 0.06 2.86 0.30 2.22 -4.36 -1.26 -5.10 121.20 115.93 2isa s ILE 48 Ca 0.19 -1.69 -0.30 0.00 -0.26 0.00 0.00 60.65 58.59 2isa s ILE 48 Cb -0.14 -2.97 -0.11 0.00 1.25 0.00 0.00 42.46 40.49 2isa s ILE 48 CO 0.07 -0.14 1.54 -2.84 0.24 0.00 0.00 174.94 173.80 2isa s PRO 49 N -3.86 4.15 1.02 0.37 0.02 -1.26 -4.99 135.00 130.45 2isa s PRO 49 Ca 0.39 2.52 -0.12 0.00 0.02 0.00 0.00 61.00 63.80 2isa s PRO 49 Cb -0.01 -3.03 0.20 0.00 0.02 0.00 0.00 34.50 31.68 2isa s PRO 49 CO 0.23 -0.57 1.07 -1.83 -0.33 0.00 0.00 177.00 175.58 2isa s GLU 50 N -0.77 0.20 0.54 5.54 -1.05 -1.26 -4.95 118.70 116.94 2isa s GLU 50 Ca 0.60 0.91 -0.22 0.00 -0.15 0.00 0.00 54.97 56.12 2isa s GLU 50 Cb -0.46 -1.68 -0.05 0.00 -0.44 0.00 0.00 34.13 31.50 2isa s GLU 50 CO 0.50 -2.99 1.32 1.03 0.95 0.00 0.00 175.26 176.06 2isa s ARG 51 N -4.70 3.20 0.00 -4.83 0.52 -1.26 -5.05 118.95 106.84 2isa s ARG 51 Ca 0.66 2.14 0.03 0.00 -0.52 0.00 0.00 55.73 58.04 2isa s ARG 51 Cb -0.22 -2.25 0.20 0.00 0.52 0.00 0.00 34.95 33.21 2isa s ARG 51 CO 0.60 -1.11 0.67 -2.13 0.02 0.00 0.00 175.30 173.36 2isa n ARG 52 N -1.01 0.49 -1.69 3.54 3.00 -1.26 -4.26 116.66 115.47 2isa n ARG 52 Ca 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.91 2isa n ARG 52 Cb 0.46 -1.11 -0.01 0.00 0.00 0.00 0.00 32.46 31.80 2isa n ARG 52 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2isa n HIS 54 N -0.61 -0.16 0.15 -0.14 8.25 -0.71 -5.07 115.22 116.93 2isa n HIS 54 Ca 0.03 0.07 0.04 0.00 -0.26 0.00 0.00 57.72 57.60 2isa n HIS 54 Cb 0.01 -0.22 0.46 0.00 1.12 0.00 0.00 29.99 31.37 2isa n HIS 54 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2isa h ALA 55 N 1.86 1.66 -2.88 -1.41 0.00 -1.74 -3.42 119.26 113.34 2isa h ALA 55 Ca -0.06 -0.14 -0.61 0.00 0.00 0.00 0.00 54.91 54.10 2isa h ALA 55 Cb 0.17 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 17.76 2isa h ALA 55 CO 0.09 0.25 -0.29 0.21 0.00 0.00 0.00 179.25 179.52 2isa s LYS 56 N -4.87 4.11 0.23 0.00 2.47 -1.25 -4.50 119.74 115.92 2isa s LYS 56 Ca -0.05 0.04 -0.22 0.00 -1.56 0.00 0.00 55.97 54.18 2isa s LYS 56 Cb 0.16 -3.57 0.06 0.00 -1.46 0.00 0.00 37.83 33.02 2isa s LYS 56 CO 0.71 -0.08 0.92 0.20 0.16 0.00 0.00 175.35 177.27 2isa s GLY 57 N 1.21 0.02 -0.02 5.54 0.00 -1.26 -2.08 107.32 110.73 2isa s GLY 57 Ca 0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 44.72 44.59 2isa s GLY 57 CO 0.08 0.69 0.06 -0.56 0.00 0.00 0.00 173.10 173.37 2isa s SER 58 N -3.11 -0.02 0.11 1.64 0.01 0.58 -4.98 113.70 107.92 2isa s SER 58 Ca 0.16 0.03 0.03 0.00 1.31 0.00 0.00 55.95 57.47 2isa s SER 58 Cb -0.03 0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.30 2isa s SER 58 CO 0.06 -0.09 -0.08 -0.83 0.41 0.00 0.00 173.24 172.71 2isa s GLY 59 N -0.28 0.83 -0.05 3.44 0.00 -1.26 0.11 107.32 110.12 2isa s GLY 59 Ca -0.03 -1.31 -0.30 0.00 0.00 0.00 0.00 44.72 43.08 2isa s GLY 59 CO 0.00 -1.41 0.66 0.00 0.00 0.00 0.00 173.10 172.36 2isa s ALA 60 N -3.17 -1.72 0.39 3.20 0.00 -0.48 -4.55 121.76 115.43 2isa s ALA 60 Ca 0.10 1.28 -0.06 0.00 0.00 0.00 0.00 51.96 53.28 2isa s ALA 60 Cb 0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 2isa s ALA 60 CO -0.02 -0.36 0.69 0.71 0.00 0.00 0.00 175.76 176.77 2isa s TYR 61 N -1.17 3.50 0.00 0.00 1.51 0.64 -0.81 117.35 121.02 2isa s TYR 61 Ca -0.11 0.79 0.00 0.00 -1.01 0.00 0.00 57.07 56.74 2isa s TYR 61 Cb -0.00 -2.24 0.00 0.00 -0.11 0.00 0.00 41.96 39.60 2isa s TYR 61 CO 0.10 -0.05 0.00 0.41 -1.11 0.00 0.00 175.55 174.89 2isa n GLY 62 N -1.53 2.40 2.82 0.71 0.00 -0.60 -0.95 105.19 108.03 2isa n GLY 62 Ca -0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.09 2isa n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2isa s THR 63 N -2.83 -0.04 -0.11 2.61 2.01 -0.23 -1.53 115.64 115.53 2isa s THR 63 Ca 0.00 0.16 -0.10 0.00 0.31 0.00 0.00 61.69 62.06 2isa s THR 63 Cb 0.00 -0.08 -0.05 0.00 0.01 0.00 0.00 72.50 72.38 2isa s THR 63 CO 0.00 0.06 0.22 0.12 -0.69 0.00 0.00 174.62 174.33 2isa s PHE 64 N 0.81 3.59 -0.09 4.92 5.36 0.96 -2.08 117.98 131.45 2isa s PHE 64 Ca -0.07 0.62 0.02 0.00 -0.96 0.00 0.00 56.93 56.54 2isa s PHE 64 Cb -0.09 -2.10 0.01 0.00 -0.34 0.00 0.00 43.02 40.50 2isa s PHE 64 CO -0.02 0.59 -0.13 0.99 -1.46 0.00 0.00 175.22 175.19 2isa s THR 65 N -0.66 1.28 0.16 0.12 2.01 0.08 -0.74 115.64 117.89 2isa s THR 65 Ca 0.16 -0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.33 2isa s THR 65 Cb -0.13 -1.18 -0.08 0.00 0.01 0.00 0.00 72.50 71.12 2isa s THR 65 CO 0.05 0.39 1.31 -0.69 -0.69 0.00 0.00 174.62 175.00 2isa s VAL 66 N 0.89 3.36 -0.01 3.82 1.01 -0.91 -1.79 120.40 126.76 2isa s VAL 66 Ca -0.10 1.06 0.04 0.00 0.00 0.00 0.00 61.98 62.98 2isa s VAL 66 Cb -0.15 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 2isa s VAL 66 CO 0.01 0.13 0.08 0.35 0.00 0.00 0.00 175.10 175.66 2isa n THR 67 N 3.15 0.06 -4.17 3.92 -2.24 -0.40 -0.18 114.28 114.42 2isa n THR 67 Ca 0.08 -0.11 -0.10 0.00 -2.27 0.00 0.00 64.05 61.64 2isa n THR 67 Cb 0.43 0.12 -0.10 0.00 -2.10 0.00 0.00 70.33 68.68 2isa n THR 67 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2isa s HIS 68 N -2.26 0.90 -0.42 4.78 3.76 -0.79 -4.89 115.29 116.38 2isa s HIS 68 Ca -0.02 -1.06 -0.15 0.00 -0.15 0.00 0.00 55.06 53.69 2isa s HIS 68 Cb 0.02 -0.53 0.03 0.00 1.11 0.00 0.00 32.58 33.21 2isa s HIS 68 CO 0.18 -0.31 0.31 0.34 -0.85 0.00 0.00 174.74 174.41 2isa s ASP 69 N -3.06 6.10 -0.13 1.40 -1.08 -1.26 -4.78 116.67 113.85 2isa s ASP 69 Ca 0.18 -0.98 0.16 0.00 -0.52 0.00 0.00 52.55 51.39 2isa s ASP 69 Cb 0.07 -2.16 0.36 0.00 -1.46 0.00 0.00 42.92 39.73 2isa s ASP 69 CO -0.02 -0.48 1.25 2.30 0.52 0.00 0.00 175.17 178.74 2isa n ILE 70 N 5.16 1.94 0.30 4.11 -5.35 -1.26 -4.75 119.36 119.51 2isa n ILE 70 Ca -0.11 -1.97 0.07 0.00 -0.27 0.00 0.00 62.75 60.47 2isa n ILE 70 Cb 0.46 -0.16 0.34 0.00 -1.74 0.00 0.00 39.64 38.54 2isa n ILE 70 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2isa n THR 71 N -0.92 1.18 0.25 7.28 -2.24 -1.26 -0.77 114.28 117.81 2isa n THR 71 Ca 0.17 0.38 0.08 0.00 -2.27 0.00 0.00 64.05 62.41 2isa n THR 71 Cb 0.70 -1.28 0.61 0.00 -2.10 0.00 0.00 70.33 68.26 2isa n THR 71 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2isa h LYS 72 N 0.00 0.00 0.00 -0.78 3.64 -1.99 -3.30 116.57 114.14 2isa h LYS 72 Ca 0.00 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 2isa h LYS 72 Cb 0.18 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 2isa h LYS 72 CO 0.00 0.05 -1.93 0.66 -2.27 0.00 0.00 179.45 175.96 2isa n TYR 73 N -4.44 0.00 -4.05 1.91 4.01 0.05 -4.81 117.16 109.83 2isa n TYR 73 Ca -0.03 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.56 2isa n TYR 73 Cb 0.13 -0.66 -0.15 0.00 -0.31 0.00 0.00 39.34 38.36 2isa n TYR 73 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2isa s THR 74 N -2.40 0.27 -2.29 -0.72 -1.32 -0.97 -2.85 115.64 105.37 2isa s THR 74 Ca -0.07 -0.11 0.20 0.00 -1.21 0.00 0.00 61.69 60.51 2isa s THR 74 Cb 0.05 -0.26 0.44 0.00 -1.51 0.00 0.00 72.50 71.22 2isa s THR 74 CO 0.57 0.10 1.50 2.29 -2.21 0.00 0.00 174.62 176.87 2isa n LYS 75 N 3.23 1.88 -1.68 7.08 2.85 -0.63 -4.29 118.16 126.59 2isa n LYS 75 Ca -0.16 -1.32 -0.45 0.00 -1.05 0.00 0.00 58.31 55.34 2isa n LYS 75 Cb 0.57 -1.41 -0.04 0.00 -0.65 0.00 0.00 35.03 33.51 2isa n LYS 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2isa n ALA 76 N 0.55 1.79 -0.11 0.58 0.00 -1.22 -4.80 120.51 117.31 2isa n ALA 76 Ca 0.16 0.42 0.01 0.00 0.00 0.00 0.00 53.44 54.04 2isa n ALA 76 Cb 0.38 -2.41 0.30 0.00 0.00 0.00 0.00 19.45 17.72 2isa n ALA 76 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2isa h LYS 77 N 6.37 0.76 -0.62 0.00 1.79 -1.94 -2.12 116.57 120.81 2isa h LYS 77 Ca -0.45 -0.07 0.17 0.00 -2.18 0.00 0.00 60.65 58.12 2isa h LYS 77 Cb 1.24 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 31.70 2isa h LYS 77 CO 0.91 0.56 0.44 0.97 -1.08 0.00 0.00 179.45 181.25 2isa h ILE 78 N 0.77 0.71 -0.54 1.86 2.10 -1.94 -1.94 117.51 118.53 2isa h ILE 78 Ca 0.20 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 66.12 2isa h ILE 78 Cb 0.02 0.65 0.00 0.00 -1.09 0.00 0.00 36.82 36.39 2isa h ILE 78 CO -0.03 0.01 0.00 0.49 -1.08 0.00 0.00 178.15 177.54 2isa n PHE 79 N -4.37 0.71 0.10 2.19 3.72 -0.80 -4.76 117.46 114.24 2isa n PHE 79 Ca 0.12 -0.41 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 2isa n PHE 79 Cb 0.66 -0.01 0.30 0.00 -0.94 0.00 0.00 39.48 39.49 2isa n PHE 79 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2isa h SER 80 N 3.88 0.24 -3.67 4.37 4.64 -1.28 -3.43 113.55 118.30 2isa h SER 80 Ca 0.00 -0.08 -0.24 0.00 -0.47 0.00 0.00 61.79 61.00 2isa h SER 80 Cb 0.93 -0.07 -0.29 0.00 -0.31 0.00 0.00 62.40 62.66 2isa h SER 80 CO 0.00 0.52 -0.68 -1.81 -0.87 0.00 0.00 176.83 173.98 2isa s ASP 81 N -6.87 -0.02 0.24 4.97 1.01 -1.26 -4.96 116.67 109.78 2isa s ASP 81 Ca -0.05 0.08 -0.31 0.00 0.71 0.00 0.00 52.55 52.98 2isa s ASP 81 Cb 0.14 0.05 -0.12 0.00 1.01 0.00 0.00 42.92 44.00 2isa s ASP 81 CO 0.75 -0.05 1.66 -0.38 0.21 0.00 0.00 175.17 177.36 2isa n ILE 82 N 3.41 0.44 -0.27 0.77 5.41 -1.26 -1.98 119.36 125.88 2isa n ILE 82 Ca -0.17 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.47 2isa n ILE 82 Cb 0.57 -1.94 0.00 0.00 -0.71 0.00 0.00 39.64 37.56 2isa n ILE 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2isa n GLY 83 N 3.16 1.36 3.70 7.39 0.00 0.74 -4.98 105.19 116.55 2isa n GLY 83 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2isa n GLY 83 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2isa s LYS 84 N -0.40 4.24 -0.12 1.61 2.20 -0.84 -4.74 119.74 121.70 2isa s LYS 84 Ca 0.00 2.21 -0.04 0.00 -0.36 0.00 0.00 55.97 57.79 2isa s LYS 84 Cb 0.00 -3.46 -0.03 0.00 -1.51 0.00 0.00 37.83 32.83 2isa s LYS 84 CO 0.00 -0.63 0.03 0.15 -0.36 0.00 0.00 175.35 174.54 2isa s LYS 85 N 2.07 3.31 -0.07 4.03 1.02 -1.26 -2.15 119.74 126.70 2isa s LYS 85 Ca 0.69 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.32 2isa s LYS 85 Cb -0.38 -2.94 0.02 0.00 -0.52 0.00 0.00 37.83 34.01 2isa s LYS 85 CO 0.30 0.58 -0.05 0.99 -0.92 0.00 0.00 175.35 176.25 2isa s THR 86 N -0.53 0.71 0.71 2.17 2.01 0.08 -4.97 115.64 115.82 2isa s THR 86 Ca 0.10 -0.17 -0.13 0.00 0.31 0.00 0.00 61.69 61.80 2isa s THR 86 Cb -0.12 -0.74 0.03 0.00 0.01 0.00 0.00 72.50 71.67 2isa s THR 86 CO 0.02 0.29 1.11 -1.81 -0.69 0.00 0.00 174.62 173.54 2isa s ASP 87 N 1.28 4.75 0.22 3.53 1.01 -1.26 -0.03 116.67 126.17 2isa s ASP 87 Ca -0.05 1.97 -0.16 0.00 0.71 0.00 0.00 52.55 55.02 2isa s ASP 87 Cb -0.14 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.26 2isa s ASP 87 CO -0.02 -1.87 0.53 0.00 0.21 0.00 0.00 175.17 174.01 2isa s MET 88 N -4.38 1.47 -0.02 8.23 0.23 -0.58 -0.90 119.30 123.35 2isa s MET 88 Ca 0.65 -1.00 0.02 0.00 -1.03 0.00 0.00 55.69 54.34 2isa s MET 88 Cb -0.20 0.51 0.00 0.00 -1.53 0.00 0.00 34.83 33.61 2isa s MET 88 CO 0.47 -0.63 -0.09 0.12 -2.03 0.00 0.00 175.02 172.87 2isa s PHE 89 N -3.92 0.89 0.07 3.16 5.36 -0.26 -1.56 117.98 121.72 2isa s PHE 89 Ca 0.13 -0.20 0.09 0.00 -0.96 0.00 0.00 56.93 55.98 2isa s PHE 89 Cb -0.01 -0.62 -0.03 0.00 -0.34 0.00 0.00 43.02 42.02 2isa s PHE 89 CO 0.02 -0.07 -0.23 0.00 -1.46 0.00 0.00 175.22 173.47 2isa s ALA 90 N 0.09 1.97 -0.08 11.12 0.00 0.00 -0.79 121.76 134.08 2isa s ALA 90 Ca -0.01 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 50.74 2isa s ALA 90 Cb -0.07 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.72 2isa s ALA 90 CO 0.00 0.44 -0.09 0.50 0.00 0.00 0.00 175.76 176.61 2isa s ARG 91 N -1.52 1.42 0.19 0.00 3.52 0.35 -1.39 118.95 121.52 2isa s ARG 91 Ca 0.09 -0.27 0.05 0.00 -0.13 0.00 0.00 55.73 55.47 2isa s ARG 91 Cb -0.10 -1.33 -0.04 0.00 -1.56 0.00 0.00 34.95 31.93 2isa s ARG 91 CO 0.03 -0.11 0.16 -0.06 -0.81 0.00 0.00 175.30 174.52 2isa s PHE 92 N 1.12 3.16 0.12 5.12 0.40 0.12 -0.91 117.98 127.10 2isa s PHE 92 Ca -0.07 -0.04 -0.25 0.00 -0.60 0.00 0.00 56.93 55.98 2isa s PHE 92 Cb -0.14 -1.49 0.08 0.00 0.51 0.00 0.00 43.02 41.97 2isa s PHE 92 CO -0.01 0.52 0.73 -1.54 0.70 0.00 0.00 175.22 175.62 2isa s SER 93 N -3.31 -0.44 0.62 1.36 1.04 -1.06 -0.30 113.70 111.60 2isa s SER 93 Ca 0.32 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.66 2isa s SER 93 Cb -0.10 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2isa s SER 93 CO 0.24 -0.89 0.00 0.35 0.98 0.00 0.00 173.24 173.93 2isa n THR 94 N -0.35 0.00 0.03 2.02 -2.24 -0.88 -0.52 114.28 112.33 2isa n THR 94 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2isa n THR 94 Cb 0.63 -1.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.10 2isa n THR 94 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2isa n VAL 95 N -1.44 0.61 0.05 2.28 0.31 -1.25 -4.02 118.33 114.88 2isa n VAL 95 Ca 0.00 0.20 -0.08 0.00 -0.01 0.00 0.00 64.34 64.45 2isa n VAL 95 Cb 0.00 -1.54 -0.13 0.00 -0.91 0.00 0.00 33.84 31.26 2isa n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2isa h ALA 96 N 0.00 0.39 -2.79 3.52 0.00 -1.92 -1.90 119.26 116.56 2isa h ALA 96 Ca 0.00 -1.00 -0.52 0.00 0.00 0.00 0.00 54.91 53.39 2isa h ALA 96 Cb 0.50 -0.03 0.09 0.00 0.00 0.00 0.00 17.79 18.35 2isa h ALA 96 CO 0.00 1.28 0.52 0.20 0.00 0.00 0.00 179.25 181.25 2isa s GLY 97 N -4.78 2.80 0.90 0.00 0.00 -1.26 -4.90 107.32 100.09 2isa s GLY 97 Ca -0.01 1.05 -0.14 0.00 0.00 0.00 0.00 44.72 45.63 2isa s GLY 97 CO 0.83 1.52 1.23 1.18 0.00 0.00 0.00 173.10 177.86 2isa n GLU 98 N -0.73 -1.07 -0.13 2.90 4.71 -1.26 -3.81 120.64 121.25 2isa n GLU 98 Ca 0.09 -2.08 0.03 0.00 -0.01 0.00 0.00 57.16 55.19 2isa n GLU 98 Cb 0.47 -1.21 0.07 0.00 -1.01 0.00 0.00 31.44 29.76 2isa n GLU 98 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 2isa n ARG 99 N -3.57 -0.03 -0.19 3.49 0.63 -1.26 -1.61 116.66 114.12 2isa n ARG 99 Ca 0.16 0.55 0.08 0.00 -0.92 0.00 0.00 57.85 57.72 2isa n ARG 99 Cb 0.56 -0.84 0.16 0.00 0.45 0.00 0.00 32.46 32.79 2isa n ARG 99 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2isa n GLY 100 N -1.21 4.16 3.70 5.14 0.00 -1.26 -4.80 105.19 110.92 2isa n GLY 100 Ca 0.07 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 2isa n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2isa s ALA 101 N -2.43 1.59 0.22 4.61 0.00 -0.64 -4.94 121.76 120.17 2isa s ALA 101 Ca 0.30 0.33 -0.31 0.00 0.00 0.00 0.00 51.96 52.28 2isa s ALA 101 Cb 0.25 -3.34 -0.11 0.00 0.00 0.00 0.00 23.12 19.92 2isa s ALA 101 CO 0.06 -2.46 1.63 0.00 0.00 0.00 0.00 175.76 174.98 2isa s ALA 102 N -2.76 3.82 0.18 0.00 0.00 -1.26 -4.87 121.76 116.87 2isa s ALA 102 Ca 0.64 1.50 -0.13 0.00 0.00 0.00 0.00 51.96 53.97 2isa s ALA 102 Cb -0.20 -3.65 0.10 0.00 0.00 0.00 0.00 23.12 19.36 2isa s ALA 102 CO 0.58 -0.88 1.84 -0.44 0.00 0.00 0.00 175.76 176.85 2isa h ASP 103 N 6.21 0.61 -1.04 0.00 3.32 -1.37 -3.35 116.42 120.81 2isa h ASP 103 Ca -0.44 -0.01 -0.57 0.00 0.02 0.00 0.00 57.03 56.04 2isa h ASP 103 Cb 1.21 -0.14 -0.15 0.00 0.22 0.00 0.00 39.33 40.46 2isa h ASP 103 CO 0.89 0.43 1.05 0.00 -1.72 0.00 0.00 179.24 179.90 2isa n ALA 104 N -2.27 6.58 -2.68 3.45 0.00 -1.26 -4.91 120.51 119.43 2isa n ALA 104 Ca 0.04 -3.34 -0.26 0.00 0.00 0.00 0.00 53.44 49.88 2isa n ALA 104 Cb 0.05 -2.37 -0.03 0.00 0.00 0.00 0.00 19.45 17.10 2isa n ALA 104 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2isa s GLU 105 N -1.37 3.54 -0.28 0.00 2.02 -1.26 -4.76 118.70 116.59 2isa s GLU 105 Ca 0.58 -0.26 -0.29 0.00 0.02 0.00 0.00 54.97 55.02 2isa s GLU 105 Cb 0.31 -2.74 -0.02 0.00 0.10 0.00 0.00 34.13 31.79 2isa s GLU 105 CO -0.17 0.28 1.60 0.50 0.02 0.00 0.00 175.26 177.49 2isa s ARG 106 N -3.68 3.67 -0.16 1.61 3.52 -1.26 -4.62 118.95 118.03 2isa s ARG 106 Ca 0.40 1.47 -0.33 0.00 -0.13 0.00 0.00 55.73 57.14 2isa s ARG 106 Cb -0.10 -4.06 0.13 0.00 -1.56 0.00 0.00 34.95 29.36 2isa s ARG 106 CO 0.31 -1.45 1.13 0.34 -0.81 0.00 0.00 175.30 174.83 2isa s ASP 107 N 4.49 -0.20 0.65 -2.12 -1.08 -0.40 -5.01 116.67 113.00 2isa s ASP 107 Ca 0.71 0.04 -0.18 0.00 -0.52 0.00 0.00 52.55 52.60 2isa s ASP 107 Cb -0.22 0.20 -0.02 0.00 -1.46 0.00 0.00 42.92 41.42 2isa s ASP 107 CO 0.30 -0.31 1.13 -0.38 0.52 0.00 0.00 175.17 176.44 2isa n ILE 108 N 0.01 4.20 -4.77 4.11 5.41 -1.26 -4.66 119.36 122.40 2isa n ILE 108 Ca -0.03 -0.48 -0.33 0.00 1.00 0.00 0.00 62.75 62.92 2isa n ILE 108 Cb 0.59 -1.31 -0.14 0.00 -0.71 0.00 0.00 39.64 38.07 2isa n ILE 108 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2isa s ARG 109 N -3.18 3.32 0.41 0.38 1.81 -1.26 -3.82 118.95 116.61 2isa s ARG 109 Ca 0.79 -0.67 -0.25 0.00 -1.72 0.00 0.00 55.73 53.88 2isa s ARG 109 Cb -0.38 -2.62 -0.08 0.00 -0.45 0.00 0.00 34.95 31.41 2isa s ARG 109 CO 0.44 0.26 1.17 0.20 -0.68 0.00 0.00 175.30 176.69 2isa s GLY 110 N 0.24 2.85 -0.49 -3.53 0.00 0.32 -0.45 107.32 106.24 2isa s GLY 110 Ca -0.08 0.96 0.05 0.00 0.00 0.00 0.00 44.72 45.65 2isa s GLY 110 CO 0.05 1.47 0.41 0.33 0.00 0.00 0.00 173.10 175.36 2isa n PHE 111 N -0.04 0.34 -3.97 1.90 -0.00 0.25 -2.56 117.46 113.37 2isa n PHE 111 Ca 0.05 -3.61 -0.35 0.00 -0.00 0.00 0.00 57.45 53.53 2isa n PHE 111 Cb 0.47 -0.03 -0.11 0.00 -0.00 0.00 0.00 39.48 39.80 2isa n PHE 111 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2isa s SER 112 N -0.51 5.36 -0.03 -2.13 0.15 -0.09 -1.72 113.70 114.73 2isa s SER 112 Ca 0.31 -0.05 0.06 0.00 0.70 0.00 0.00 55.95 56.97 2isa s SER 112 Cb 0.03 -1.93 -0.01 0.00 -1.71 0.00 0.00 66.02 62.40 2isa s SER 112 CO -0.18 0.10 -0.21 -0.76 1.20 0.00 0.00 173.24 173.38 2isa s LEU 113 N 0.83 2.02 -0.22 3.45 1.43 0.04 -0.49 118.68 125.74 2isa s LEU 113 Ca 0.03 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 2isa s LEU 113 Cb -0.14 -1.13 0.05 0.00 0.03 0.00 0.00 46.19 45.00 2isa s LEU 113 CO 0.02 0.24 -0.06 -0.75 0.23 0.00 0.00 176.35 176.03 2isa s LYS 114 N -0.33 1.68 -0.25 1.70 2.20 0.03 -0.16 119.74 124.61 2isa s LYS 114 Ca 0.04 -0.88 -0.12 0.00 -0.36 0.00 0.00 55.97 54.65 2isa s LYS 114 Cb -0.10 -2.46 -0.05 0.00 -1.51 0.00 0.00 37.83 33.71 2isa s LYS 114 CO 0.01 -0.54 0.21 -0.06 -0.36 0.00 0.00 175.35 174.61 2isa s PHE 115 N 1.43 3.30 -1.26 4.03 0.08 0.30 -1.10 117.98 124.76 2isa s PHE 115 Ca -0.04 0.27 -0.15 0.00 0.12 0.00 0.00 56.93 57.13 2isa s PHE 115 Cb -0.18 -2.35 0.13 0.00 -0.57 0.00 0.00 43.02 40.06 2isa s PHE 115 CO -0.07 -0.01 1.61 0.66 -0.10 0.00 0.00 175.22 177.32 2isa n TYR 116 N 4.54 4.64 -2.47 0.36 4.01 -0.08 -1.37 117.16 126.79 2isa n TYR 116 Ca -0.13 -3.12 -0.25 0.00 -0.16 0.00 0.00 57.90 54.24 2isa n TYR 116 Cb 0.52 -2.34 0.04 0.00 -0.31 0.00 0.00 39.34 37.25 2isa n TYR 116 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2isa s THR 117 N 2.46 3.12 -0.89 -0.72 -4.23 -0.89 -4.49 115.64 109.99 2isa s THR 117 Ca 0.47 -0.27 0.22 0.00 -1.18 0.00 0.00 61.69 60.92 2isa s THR 117 Cb 0.01 -3.24 0.20 0.00 1.34 0.00 0.00 72.50 70.81 2isa s THR 117 CO 0.02 -0.23 1.68 -1.84 -0.54 0.00 0.00 174.62 173.72 2isa n GLU 118 N -2.56 0.06 -0.78 3.99 0.28 -1.26 -2.55 120.64 117.81 2isa n GLU 118 Ca 0.06 0.19 0.03 0.00 -0.16 0.00 0.00 57.16 57.28 2isa n GLU 118 Cb 0.59 -1.59 0.18 0.00 1.43 0.00 0.00 31.44 32.05 2isa n GLU 118 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2isa n GLU 119 N -1.70 1.78 0.00 3.44 1.02 -1.26 -4.62 120.64 119.30 2isa n GLU 119 Ca 0.05 -3.38 0.00 0.00 -0.02 0.00 0.00 57.16 53.81 2isa n GLU 119 Cb 0.26 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 2isa n GLU 119 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2isa n GLY 120 N -1.04 2.94 3.66 0.62 0.00 -1.06 -4.52 105.19 105.80 2isa n GLY 120 Ca 0.21 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 2isa n GLY 120 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2isa s ASN 121 N 0.00 6.97 -0.45 1.61 0.02 -1.26 -2.10 114.94 119.72 2isa s ASN 121 Ca 0.00 1.70 -0.19 0.00 -1.02 0.00 0.00 52.86 53.36 2isa s ASN 121 Cb 0.00 -2.54 0.03 0.00 0.02 0.00 0.00 41.25 38.76 2isa s ASN 121 CO 0.00 -0.73 0.55 0.86 0.02 0.00 0.00 177.10 177.80 2isa s TRP 122 N 3.26 3.11 -0.18 2.20 -0.00 -0.47 -4.40 118.94 122.46 2isa s TRP 122 Ca 0.55 -0.35 -0.17 0.00 -0.00 0.00 0.00 56.10 56.13 2isa s TRP 122 Cb -0.22 -3.22 -0.04 0.00 -0.00 0.00 0.00 33.47 29.99 2isa s TRP 122 CO 0.16 -0.85 0.43 -0.51 -0.00 0.00 0.00 176.95 176.17 2isa s ASP 123 N 2.15 6.52 -0.34 5.86 1.01 -0.42 -0.54 116.67 130.91 2isa s ASP 123 Ca 0.16 0.61 0.03 0.00 0.71 0.00 0.00 52.55 54.06 2isa s ASP 123 Cb -0.17 -2.25 0.10 0.00 1.01 0.00 0.00 42.92 41.61 2isa s ASP 123 CO 0.14 -0.06 0.07 -0.22 0.21 0.00 0.00 175.17 175.31 2isa s LEU 124 N 1.10 4.38 -1.07 1.23 2.96 0.77 -4.59 118.68 123.47 2isa s LEU 124 Ca 0.21 -2.12 -0.17 0.00 -0.22 0.00 0.00 54.13 51.82 2isa s LEU 124 Cb -0.15 -1.52 0.13 0.00 0.50 0.00 0.00 46.19 45.15 2isa s LEU 124 CO 0.08 -0.38 1.33 0.00 -1.32 0.00 0.00 176.35 176.07 2isa s ALA 125 N 0.95 3.50 0.25 5.97 0.00 -1.26 -0.78 121.76 130.39 2isa s ALA 125 Ca 0.11 -2.92 0.02 0.00 0.00 0.00 0.00 51.96 49.17 2isa s ALA 125 Cb -0.19 -4.19 0.03 0.00 0.00 0.00 0.00 23.12 18.77 2isa s ALA 125 CO -0.10 -3.02 0.26 0.41 0.00 0.00 0.00 175.76 173.31 2isa n GLY 126 N 5.18 1.64 3.33 0.00 0.00 -0.70 -4.94 105.19 109.70 2isa n GLY 126 Ca 0.32 -2.12 -0.17 0.00 0.00 0.00 0.00 46.02 44.05 2isa n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2isa s ASN 127 N -2.12 1.27 -0.03 1.61 0.01 -0.52 -0.58 114.94 114.58 2isa s ASN 127 Ca 0.19 -1.40 0.04 0.00 -0.71 0.00 0.00 52.86 50.97 2isa s ASN 127 Cb -0.01 0.18 0.15 0.00 0.41 0.00 0.00 41.25 41.98 2isa s ASN 127 CO 0.12 -0.74 0.89 -0.46 -1.51 0.00 0.00 177.10 175.40 2isa n ASN 128 N -0.52 1.52 -3.94 -1.22 6.94 0.40 -0.55 115.26 117.89 2isa n ASN 128 Ca -0.00 -2.12 -0.13 0.00 -0.02 0.00 0.00 54.58 52.32 2isa n ASN 128 Cb 0.66 -0.37 -0.13 0.00 -2.36 0.00 0.00 39.78 37.58 2isa n ASN 128 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2isa s THR 129 N -1.53 0.22 -0.48 5.53 -1.32 -1.26 -4.67 115.64 112.13 2isa s THR 129 Ca 0.11 -0.39 0.26 0.00 -1.21 0.00 0.00 61.69 60.45 2isa s THR 129 Cb 0.07 -0.24 0.28 0.00 -1.51 0.00 0.00 72.50 71.11 2isa s THR 129 CO 0.05 -0.12 1.76 1.55 -2.21 0.00 0.00 174.62 175.65 2isa h PRO 130 N 5.59 0.00 0.00 7.08 0.13 -1.93 -3.41 132.00 139.46 2isa h PRO 130 Ca -0.28 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.37 2isa h PRO 130 Cb 1.20 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.23 2isa h PRO 130 CO 0.47 0.00 -0.37 1.33 -0.23 0.00 0.00 178.00 179.20 2isa n VAL 131 N -2.41 0.00 -4.09 1.56 0.24 -1.26 -4.32 118.33 108.05 2isa n VAL 131 Ca 0.03 -1.90 -0.13 0.00 -2.04 0.00 0.00 64.34 60.31 2isa n VAL 131 Cb 0.32 0.56 -0.06 0.00 -1.47 0.00 0.00 33.84 33.18 2isa n VAL 131 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 2isa s PHE 132 N -2.64 0.88 0.12 6.34 5.36 -0.82 -4.98 117.98 122.23 2isa s PHE 132 Ca 0.10 -1.14 0.19 0.00 -0.96 0.00 0.00 56.93 55.12 2isa s PHE 132 Cb 0.00 -0.11 0.65 0.00 -0.34 0.00 0.00 43.02 43.23 2isa s PHE 132 CO 0.07 -0.99 1.72 0.74 -1.46 0.00 0.00 175.22 175.30 2isa h PHE 133 N 2.25 0.00 -3.06 10.12 -1.00 -1.89 -3.38 116.94 119.99 2isa h PHE 133 Ca -0.29 0.00 -0.64 0.00 2.81 0.00 0.00 57.97 59.85 2isa h PHE 133 Cb 1.24 0.00 -0.18 0.00 3.61 0.00 0.00 35.95 40.63 2isa h PHE 133 CO 0.92 0.36 -0.81 -0.51 -1.61 0.00 0.00 178.31 176.66 2isa s LEU 134 N -6.93 2.46 -0.02 1.54 1.43 -1.26 -3.10 118.68 112.80 2isa s LEU 134 Ca 0.01 -0.89 0.15 0.00 -1.03 0.00 0.00 54.13 52.37 2isa s LEU 134 Cb 0.10 -1.13 -0.22 0.00 0.03 0.00 0.00 46.19 44.97 2isa s LEU 134 CO 0.68 0.10 0.39 0.54 0.23 0.00 0.00 176.35 178.29 2isa n ARG 135 N 0.14 0.77 -4.12 1.70 1.74 -1.26 -4.39 116.66 111.24 2isa n ARG 135 Ca -0.11 -0.11 -0.19 0.00 -0.77 0.00 0.00 57.85 56.67 2isa n ARG 135 Cb 0.57 -1.33 -0.16 0.00 -1.02 0.00 0.00 32.46 30.52 2isa n ARG 135 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2isa s ASP 136 N -3.50 0.76 0.36 0.55 -1.08 -1.26 -4.09 116.67 108.42 2isa s ASP 136 Ca -0.03 -0.10 0.26 0.00 -0.52 0.00 0.00 52.55 52.16 2isa s ASP 136 Cb 0.10 -0.35 1.26 0.00 -1.46 0.00 0.00 42.92 42.47 2isa s ASP 136 CO 0.63 -0.05 1.80 1.55 0.52 0.00 0.00 175.17 179.62 2isa h PRO 137 N 7.03 0.00 0.00 4.34 0.13 -1.88 -1.84 132.00 139.77 2isa h PRO 137 Ca -0.38 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.71 2isa h PRO 137 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2isa h PRO 137 CO 0.48 0.00 -0.18 -0.07 -0.23 0.00 0.00 178.00 178.00 2isa h LEU 138 N 0.00 0.00 0.00 1.56 3.38 -1.96 -2.73 115.31 115.56 2isa h LEU 138 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2isa h LEU 138 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2isa h LEU 138 CO 0.00 0.18 0.00 0.29 0.09 0.00 0.00 178.44 179.00 2isa n LYS 139 N -3.78 0.36 -0.09 1.13 4.76 -0.69 -4.24 118.16 115.60 2isa n LYS 139 Ca -0.02 0.01 -0.11 0.00 -2.87 0.00 0.00 58.31 55.32 2isa n LYS 139 Cb 0.29 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.94 2isa n LYS 139 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 2isa h PHE 140 N 0.00 0.46 -0.04 2.13 3.57 -1.66 -0.02 116.94 121.39 2isa h PHE 140 Ca 0.00 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.39 2isa h PHE 140 Cb 0.31 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2isa h PHE 140 CO 0.00 0.55 -0.18 -1.35 -2.23 0.00 0.00 178.31 175.10 2isa h PRO 141 N 0.25 0.07 -0.53 6.41 0.11 -1.80 -1.52 132.00 134.98 2isa h PRO 141 Ca 0.08 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.13 2isa h PRO 141 Cb 0.34 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 2isa h PRO 141 CO 0.01 0.25 0.15 -0.44 -0.21 0.00 0.00 178.00 177.76 2isa h ASP 142 N 0.06 0.78 0.14 -2.05 3.32 -1.71 -1.29 116.42 115.68 2isa h ASP 142 Ca 0.01 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 56.85 2isa h ASP 142 Cb 0.36 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2isa h ASP 142 CO 0.02 0.79 -0.17 0.25 -1.72 0.00 0.00 179.24 178.41 2isa h LEU 143 N 0.73 -0.47 -0.61 1.55 5.85 -0.37 0.16 115.31 122.14 2isa h LEU 143 Ca 0.17 0.05 0.12 0.00 0.84 0.00 0.00 57.88 59.06 2isa h LEU 143 Cb 0.30 0.17 -0.12 0.00 0.37 0.00 0.00 40.66 41.39 2isa h LEU 143 CO -0.00 -0.26 -0.14 -1.13 -0.34 0.00 0.00 178.44 176.57 2isa h ASN 144 N -0.36 -0.54 0.80 1.25 -0.73 -1.18 0.19 115.58 115.00 2isa h ASN 144 Ca 0.01 0.18 -0.07 0.00 1.87 0.00 0.00 56.30 58.29 2isa h ASN 144 Cb 0.36 0.37 -0.01 0.00 0.27 0.00 0.00 38.32 39.31 2isa h ASN 144 CO -0.07 -0.20 -0.33 0.45 -0.37 0.00 0.00 177.43 176.92 2isa h HIS 145 N 0.01 0.00 0.06 0.67 3.86 -0.76 -1.48 115.15 117.51 2isa h HIS 145 Ca 0.30 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 59.25 2isa h HIS 145 Cb 0.46 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 2isa h HIS 145 CO -0.49 0.33 -1.25 0.00 0.86 0.00 0.00 177.93 177.38 2isa h ALA 146 N 1.67 0.30 0.00 2.45 0.00 0.13 -3.37 119.26 120.44 2isa h ALA 146 Ca -0.00 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.91 2isa h ALA 146 Cb 0.82 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2isa h ALA 146 CO 0.04 1.18 -1.07 1.33 0.00 0.00 0.00 179.25 180.72 2isa n VAL 147 N -3.40 0.05 -1.08 0.00 0.24 -0.05 -2.50 118.33 111.58 2isa n VAL 147 Ca -0.08 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 2isa n VAL 147 Cb 1.00 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 33.92 2isa n VAL 147 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2isa n LYS 148 N -1.73 3.96 -2.87 7.34 5.02 -0.57 -4.87 118.16 124.43 2isa n LYS 148 Ca 0.03 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.91 2isa n LYS 148 Cb 0.39 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.36 2isa n LYS 148 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2isa s ARG 149 N 3.79 4.56 0.31 1.97 0.52 -1.26 -4.20 118.95 124.63 2isa s ARG 149 Ca 0.00 1.21 -0.29 0.00 -0.52 0.00 0.00 55.73 56.13 2isa s ARG 149 Cb 0.00 -3.39 -0.12 0.00 0.52 0.00 0.00 34.95 31.95 2isa s ARG 149 CO 0.00 0.18 1.41 -3.47 0.02 0.00 0.00 175.30 173.44 2isa n ASP 150 N 3.10 3.10 -0.07 0.23 -0.08 0.14 -4.82 116.55 118.14 2isa n ASP 150 Ca 0.00 1.18 0.17 0.00 -1.51 0.00 0.00 54.79 54.63 2isa n ASP 150 Cb 0.50 -1.50 0.59 0.00 2.34 0.00 0.00 41.12 43.05 2isa n ASP 150 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2isa h PRO 151 N 3.53 0.21 0.00 -0.67 0.11 -1.93 -1.48 132.00 131.77 2isa h PRO 151 Ca -0.46 -0.01 -0.33 0.00 0.11 0.00 0.00 66.00 65.31 2isa h PRO 151 Cb 1.26 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 2isa h PRO 151 CO 0.70 0.14 -1.83 -2.13 -0.21 0.00 0.00 178.00 174.66 2isa n ARG 152 N -4.43 0.57 0.21 1.05 0.63 -1.26 -4.56 116.66 108.87 2isa n ARG 152 Ca 0.11 0.42 0.14 0.00 -0.92 0.00 0.00 57.85 57.60 2isa n ARG 152 Cb 0.54 -1.62 0.43 0.00 0.45 0.00 0.00 32.46 32.26 2isa n ARG 152 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 2isa h THR 153 N -1.00 0.00 -2.73 5.15 1.35 -1.95 -3.46 112.91 110.26 2isa h THR 153 Ca -0.50 -0.65 -0.27 0.00 -0.55 0.00 0.00 66.41 64.44 2isa h THR 153 Cb 1.42 1.62 -0.05 0.00 -1.73 0.00 0.00 68.15 69.40 2isa h THR 153 CO -0.30 0.00 -0.30 -3.20 -0.25 0.00 0.00 175.52 171.47 2isa n ASN 154 N -2.86 -3.89 -4.28 5.36 5.15 -0.56 -4.95 115.26 109.24 2isa n ASN 154 Ca 0.03 0.24 -0.15 0.00 -0.60 0.00 0.00 54.58 54.09 2isa n ASN 154 Cb 0.40 -3.42 -0.10 0.00 -0.53 0.00 0.00 39.78 36.12 2isa n ASN 154 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2isa s MET 155 N -4.23 1.15 0.63 1.20 -1.94 -1.26 -4.78 119.30 110.07 2isa s MET 155 Ca 0.00 -1.50 -0.18 0.00 -1.71 0.00 0.00 55.69 52.29 2isa s MET 155 Cb 0.00 -0.74 -0.02 0.00 2.01 0.00 0.00 34.83 36.08 2isa s MET 155 CO 0.00 0.09 1.26 1.03 -0.01 0.00 0.00 175.02 177.39 2isa s ARG 156 N -3.73 2.68 -0.16 2.03 0.52 -1.26 -0.68 118.95 118.34 2isa s ARG 156 Ca 0.19 1.98 -0.00 0.00 -0.52 0.00 0.00 55.73 57.38 2isa s ARG 156 Cb 0.02 -1.87 0.04 0.00 0.52 0.00 0.00 34.95 33.65 2isa s ARG 156 CO 0.03 -1.48 -0.08 0.45 0.02 0.00 0.00 175.30 174.24 2isa s SER 157 N -1.47 2.80 0.27 0.23 0.15 -1.26 -4.85 113.70 109.56 2isa s SER 157 Ca 0.81 -0.61 -0.04 0.00 0.70 0.00 0.00 55.95 56.80 2isa s SER 157 Cb -0.35 -1.01 0.33 0.00 -1.71 0.00 0.00 66.02 63.29 2isa s SER 157 CO 0.38 -0.14 1.91 0.00 1.20 0.00 0.00 173.24 176.58 2isa h ALA 158 N 8.09 1.29 0.17 5.45 0.00 -1.93 -1.75 119.26 130.57 2isa h ALA 158 Ca -0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2isa h ALA 158 Cb 1.12 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2isa h ALA 158 CO 0.44 0.61 -0.08 -0.22 0.00 0.00 0.00 179.25 179.99 2isa h LYS 159 N 1.18 -0.22 -0.06 0.00 3.11 -1.94 -1.16 116.57 117.49 2isa h LYS 159 Ca 0.31 0.01 0.03 0.00 -2.81 0.00 0.00 60.65 58.19 2isa h LYS 159 Cb -0.04 0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.20 2isa h LYS 159 CO -0.06 -0.07 -0.15 -0.91 -2.81 0.00 0.00 179.45 175.45 2isa h ASN 160 N -0.31 -0.46 -0.36 4.20 -0.26 -1.82 0.94 115.58 117.51 2isa h ASN 160 Ca -0.02 0.08 0.03 0.00 -0.56 0.00 0.00 56.30 55.82 2isa h ASN 160 Cb 0.24 0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.68 2isa h ASN 160 CO 0.04 -0.20 0.17 -1.13 -1.06 0.00 0.00 177.43 175.25 2isa h ASN 161 N -0.22 0.25 0.62 5.81 -0.73 -1.01 -2.10 115.58 118.19 2isa h ASN 161 Ca 0.07 0.02 -0.28 0.00 1.87 0.00 0.00 56.30 57.98 2isa h ASN 161 Cb 0.32 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.88 2isa h ASN 161 CO -0.19 0.18 -1.32 -0.50 -0.37 0.00 0.00 177.43 175.23 2isa h TRP 162 N 0.36 0.39 -0.42 0.67 4.06 -1.13 -1.43 115.95 118.46 2isa h TRP 162 Ca 0.16 -0.29 0.08 0.00 2.06 0.00 0.00 58.89 60.90 2isa h TRP 162 Cb 0.08 -0.02 -0.07 0.00 -1.00 0.00 0.00 29.16 28.15 2isa h TRP 162 CO -0.11 1.26 0.02 0.22 -3.56 0.00 0.00 178.44 176.27 2isa h ASP 163 N 0.06 -0.14 0.23 -3.49 3.58 -0.81 -0.04 116.42 115.82 2isa h ASP 163 Ca -0.16 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 2isa h ASP 163 Cb 1.96 0.16 0.00 0.00 1.72 0.00 0.00 39.33 43.17 2isa h ASP 163 CO 0.17 -0.03 -0.11 0.15 -2.88 0.00 0.00 179.24 176.54 2isa h PHE 164 N 0.13 -0.29 -0.44 0.28 3.57 -1.32 -2.64 116.94 116.23 2isa h PHE 164 Ca 0.21 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.70 2isa h PHE 164 Cb 0.29 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2isa h PHE 164 CO -0.26 -0.06 0.28 -1.49 -2.23 0.00 0.00 178.31 174.55 2isa h TRP 165 N -0.48 0.56 0.00 0.41 6.55 -1.20 -2.09 115.95 119.70 2isa h TRP 165 Ca -0.03 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.82 2isa h TRP 165 Cb 0.36 -0.19 0.00 0.00 -0.86 0.00 0.00 29.16 28.47 2isa h TRP 165 CO -0.02 0.37 0.00 1.79 -1.05 0.00 0.00 178.44 179.53 2isa h THR 166 N 0.59 0.00 0.00 1.49 1.35 -1.04 -1.91 112.91 113.38 2isa h THR 166 Ca 0.16 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 2isa h THR 166 Cb -0.04 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.25 2isa h THR 166 CO -0.03 0.00 -0.26 -1.20 -0.25 0.00 0.00 175.52 173.77 2isa n SER 167 N -2.46 0.49 -3.87 5.36 7.64 -0.79 -4.50 113.62 115.49 2isa n SER 167 Ca 0.00 0.27 -0.30 0.00 1.01 0.00 0.00 58.87 59.85 2isa n SER 167 Cb 0.16 -0.25 -0.14 0.00 -1.01 0.00 0.00 64.21 62.97 2isa n SER 167 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2isa s LEU 168 N -3.70 3.71 0.52 -3.43 1.43 -0.72 -4.98 118.68 111.50 2isa s LEU 168 Ca 0.11 -2.68 0.17 0.00 -1.03 0.00 0.00 54.13 50.70 2isa s LEU 168 Cb 0.16 -1.39 1.29 0.00 0.03 0.00 0.00 46.19 46.28 2isa s LEU 168 CO 0.63 -0.27 2.14 1.55 0.23 0.00 0.00 176.35 180.63 2isa h PRO 169 N 6.83 0.00 0.00 1.29 0.13 -1.79 -0.14 132.00 138.32 2isa h PRO 169 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2isa h PRO 169 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2isa h PRO 169 CO 0.59 0.02 0.12 1.05 -0.23 0.00 0.00 178.00 179.54 2isa h GLU 170 N 0.00 0.00 0.00 0.86 9.09 -1.87 -1.69 114.58 120.97 2isa h GLU 170 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2isa h GLU 170 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 2isa h GLU 170 CO 0.00 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.06 2isa h ALA 171 N 1.76 1.00 -0.89 1.06 0.00 -0.95 -3.35 119.26 117.89 2isa h ALA 171 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.02 2isa h ALA 171 Cb 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 2isa h ALA 171 CO 0.00 0.00 0.52 1.25 0.00 0.00 0.00 179.25 181.02 2isa h LEU 172 N 0.00 0.74 -0.06 0.00 5.85 -1.46 0.38 115.31 120.76 2isa h LEU 172 Ca 0.00 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.81 2isa h LEU 172 Cb 0.59 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 2isa h LEU 172 CO 0.00 0.39 -0.25 -0.74 -0.34 0.00 0.00 178.44 177.50 2isa h HIS 173 N 0.83 -0.68 -0.03 1.25 2.76 -1.82 0.20 115.15 117.66 2isa h HIS 173 Ca 0.44 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.49 2isa h HIS 173 Cb 0.46 0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.72 2isa h HIS 173 CO -0.05 -0.34 -0.68 0.37 -1.30 0.00 0.00 177.93 175.94 2isa h GLN 174 N -0.36 0.14 -0.66 5.26 5.75 -1.68 -2.32 115.11 121.24 2isa h GLN 174 Ca 0.08 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 2isa h GLN 174 Cb 0.47 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.01 2isa h GLN 174 CO -0.26 0.76 0.38 0.28 -2.65 0.00 0.00 178.83 177.33 2isa h VAL 175 N 0.10 1.20 -0.74 2.39 2.07 -0.66 -0.61 116.25 119.99 2isa h VAL 175 Ca -0.01 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 2isa h VAL 175 Cb 1.21 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 2isa h VAL 175 CO 0.10 0.22 0.46 0.74 0.02 0.00 0.00 177.57 179.11 2isa h THR 176 N 0.91 1.21 -0.12 2.57 2.02 -0.40 -1.10 112.91 118.00 2isa h THR 176 Ca 0.24 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 2isa h THR 176 Cb 0.02 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.57 2isa h THR 176 CO -0.04 0.21 0.01 0.40 0.37 0.00 0.00 175.52 176.47 2isa h ILE 177 N 1.01 1.24 0.00 3.11 2.04 -1.13 -2.15 117.51 121.63 2isa h ILE 177 Ca 0.27 -0.77 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 2isa h ILE 177 Cb -0.06 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2isa h ILE 177 CO -0.05 0.22 -0.26 1.62 0.00 0.00 0.00 178.15 179.68 2isa h VAL 178 N -0.05 0.77 -0.00 1.67 3.04 -0.95 -2.23 116.25 118.49 2isa h VAL 178 Ca 0.03 -1.06 0.00 0.00 -1.01 0.00 0.00 66.70 64.67 2isa h VAL 178 Cb 0.34 1.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 2isa h VAL 178 CO 0.00 0.25 -0.24 0.23 -1.01 0.00 0.00 177.57 176.80 2isa n MET 179 N -3.63 0.41 -2.10 4.17 2.81 -0.43 -4.06 117.12 114.29 2isa n MET 179 Ca -0.01 -0.19 -0.28 0.00 -1.81 0.00 0.00 57.70 55.42 2isa n MET 179 Cb 0.38 -1.50 0.13 0.00 -0.71 0.00 0.00 33.22 31.53 2isa n MET 179 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2isa s SER 180 N -2.72 3.88 0.64 7.83 1.04 -0.82 -4.29 113.70 119.26 2isa s SER 180 Ca 0.20 0.26 0.31 0.00 0.48 0.00 0.00 55.95 57.21 2isa s SER 180 Cb 0.19 -0.55 1.72 0.00 0.10 0.00 0.00 66.02 67.48 2isa s SER 180 CO 0.56 -2.23 2.02 -2.24 0.98 0.00 0.00 173.24 172.33 2isa h ASP 181 N -1.14 0.00 0.21 7.02 2.03 -1.86 -1.08 116.42 121.59 2isa h ASP 181 Ca -0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 2isa h ASP 181 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 2isa h ASP 181 CO 0.47 0.00 -0.01 0.54 -1.03 0.00 0.00 179.24 179.21 2isa n ARG 182 N -3.27 0.81 0.25 4.15 1.74 -1.26 -3.95 116.66 115.14 2isa n ARG 182 Ca 0.00 -0.05 0.12 0.00 -0.77 0.00 0.00 57.85 57.15 2isa n ARG 182 Cb 0.38 -1.50 0.68 0.00 -1.02 0.00 0.00 32.46 31.00 2isa n ARG 182 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2isa h GLY 183 N 4.99 0.00 -7.10 -0.13 0.00 -1.28 -3.36 103.07 96.18 2isa h GLY 183 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 2isa h GLY 183 CO 0.00 0.00 -0.73 -0.42 0.00 0.00 0.00 176.54 175.39 2isa s ILE 184 N -4.19 1.46 0.35 2.60 1.01 -1.25 -1.28 121.20 119.90 2isa s ILE 184 Ca -0.03 -2.38 -0.29 0.00 0.00 0.00 0.00 60.65 57.96 2isa s ILE 184 Cb 0.13 -2.04 -0.11 0.00 0.01 0.00 0.00 42.46 40.45 2isa s ILE 184 CO 0.60 -0.82 1.49 -2.84 0.00 0.00 0.00 174.94 173.37 2isa s PRO 185 N 0.59 4.13 0.27 2.79 0.02 -1.26 -0.97 135.00 140.56 2isa s PRO 185 Ca 0.16 2.54 -0.00 0.00 0.02 0.00 0.00 61.00 63.72 2isa s PRO 185 Cb -0.23 -2.99 0.36 0.00 0.02 0.00 0.00 34.50 31.66 2isa s PRO 185 CO -0.05 -0.53 1.73 0.00 -0.33 0.00 0.00 177.00 177.82 2isa h ALA 186 N 3.44 1.08 -2.75 -1.55 0.00 -1.12 -3.44 119.26 114.93 2isa h ALA 186 Ca -0.50 -0.31 -0.19 0.00 0.00 0.00 0.00 54.91 53.91 2isa h ALA 186 Cb 1.23 -0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.76 2isa h ALA 186 CO 0.68 0.56 -0.36 0.95 0.00 0.00 0.00 179.25 181.08 2isa s THR 187 N -4.71 0.00 0.29 0.00 -4.23 -1.26 -4.92 115.64 100.82 2isa s THR 187 Ca -0.08 -1.72 0.23 0.00 -1.18 0.00 0.00 61.69 58.94 2isa s THR 187 Cb 0.14 -2.41 0.22 0.00 1.34 0.00 0.00 72.50 71.79 2isa s THR 187 CO 0.80 0.00 1.92 1.88 -0.54 0.00 0.00 174.62 178.68 2isa h TYR 188 N 2.38 0.00 0.00 3.99 0.05 -1.88 -2.89 116.97 118.62 2isa h TYR 188 Ca -0.30 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.48 2isa h TYR 188 Cb 1.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.99 2isa h TYR 188 CO 0.63 0.22 0.00 0.00 -1.05 0.00 0.00 178.16 177.96 2isa h ARG 189 N 0.00 0.00 -0.84 4.88 3.08 -1.96 -3.32 114.38 116.21 2isa h ARG 189 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.47 2isa h ARG 189 Cb 0.58 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 30.30 2isa h ARG 189 CO 0.03 0.00 0.15 0.72 -1.07 0.00 0.00 179.97 179.80 2isa n HIS 190 N -2.54 2.84 -3.99 3.04 8.25 -1.09 -4.45 115.22 117.28 2isa n HIS 190 Ca 0.04 -2.54 -0.09 0.00 -0.26 0.00 0.00 57.72 54.88 2isa n HIS 190 Cb 0.42 -0.93 -0.10 0.00 1.12 0.00 0.00 29.99 30.50 2isa n HIS 190 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2isa s MET 191 N -3.66 0.50 0.64 -0.41 0.23 -1.25 -2.61 119.30 112.73 2isa s MET 191 Ca 0.57 -0.84 -0.09 0.00 -1.03 0.00 0.00 55.69 54.31 2isa s MET 191 Cb 0.46 0.18 0.01 0.00 -1.53 0.00 0.00 34.83 33.95 2isa s MET 191 CO 0.01 -0.10 0.99 -1.01 -2.03 0.00 0.00 175.02 172.88 2isa s HIS 192 N -2.61 3.32 0.23 3.16 0.09 -1.26 -4.42 115.29 113.80 2isa s HIS 192 Ca -0.05 0.86 0.11 0.00 -0.00 0.00 0.00 55.06 55.98 2isa s HIS 192 Cb -0.01 -2.86 -0.05 0.00 -0.00 0.00 0.00 32.58 29.66 2isa s HIS 192 CO -0.05 -0.94 -0.20 0.20 -0.00 0.00 0.00 174.74 173.75 2isa s GLY 193 N -4.31 1.68 -0.08 -2.22 0.00 -0.41 -4.21 107.32 97.76 2isa s GLY 193 Ca 0.55 -1.71 -0.14 0.00 0.00 0.00 0.00 44.72 43.42 2isa s GLY 193 CO 0.48 -1.78 0.36 -1.36 0.00 0.00 0.00 173.10 170.80 2isa s PHE 194 N -2.29 -0.32 0.17 1.90 0.40 0.29 -0.35 117.98 117.78 2isa s PHE 194 Ca 0.24 0.68 0.24 0.00 -0.60 0.00 0.00 56.93 57.49 2isa s PHE 194 Cb -0.05 0.13 0.95 0.00 0.51 0.00 0.00 43.02 44.56 2isa s PHE 194 CO 0.11 -0.30 1.84 0.78 0.70 0.00 0.00 175.22 178.36 2isa h GLY 195 N 4.73 0.00 0.00 4.36 0.00 -1.63 -1.37 103.07 109.16 2isa h GLY 195 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2isa h GLY 195 CO 0.33 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.31 2isa n SER 196 N -3.43 0.00 -4.75 0.19 7.64 -1.26 -4.77 113.62 107.23 2isa n SER 196 Ca -0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 2isa n SER 196 Cb 0.42 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.66 2isa n SER 196 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2isa s HIS 197 N 0.00 2.41 0.05 1.43 3.76 -1.26 -4.79 115.29 116.89 2isa s HIS 197 Ca 0.00 1.54 -0.31 0.00 -0.15 0.00 0.00 55.06 56.15 2isa s HIS 197 Cb 0.00 -3.40 -0.07 0.00 1.11 0.00 0.00 32.58 30.22 2isa s HIS 197 CO 0.00 -2.09 1.56 0.99 -0.85 0.00 0.00 174.74 174.35 2isa s THR 198 N -1.82 3.26 0.00 1.30 2.01 -1.26 -4.64 115.64 114.49 2isa s THR 198 Ca 0.74 0.70 0.00 0.00 0.31 0.00 0.00 61.69 63.44 2isa s THR 198 Cb -0.27 -3.45 0.00 0.00 0.01 0.00 0.00 72.50 68.79 2isa s THR 198 CO 0.36 0.00 0.00 0.49 -0.69 0.00 0.00 174.62 174.78 2isa n PHE 199 N 5.44 -1.04 -4.22 4.92 3.01 0.09 -4.13 117.46 121.52 2isa n PHE 199 Ca 0.15 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.42 2isa n PHE 199 Cb 0.42 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.77 2isa n PHE 199 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2isa s SER 200 N -0.88 1.91 0.01 4.37 1.04 -0.66 -0.86 113.70 118.63 2isa s SER 200 Ca 0.00 -0.72 0.04 0.00 0.48 0.00 0.00 55.95 55.75 2isa s SER 200 Cb 0.00 -0.07 -0.03 0.00 0.10 0.00 0.00 66.02 66.02 2isa s SER 200 CO 0.00 -0.10 -0.09 -0.36 0.98 0.00 0.00 173.24 173.67 2isa s PHE 201 N -1.70 2.82 -0.09 5.02 0.08 0.80 -1.08 117.98 123.82 2isa s PHE 201 Ca 0.04 -0.08 0.03 0.00 0.12 0.00 0.00 56.93 57.03 2isa s PHE 201 Cb -0.07 -1.58 0.01 0.00 -0.57 0.00 0.00 43.02 40.81 2isa s PHE 201 CO 0.03 0.35 -0.17 0.42 -0.10 0.00 0.00 175.22 175.74 2isa s ILE 202 N -0.98 1.59 0.58 0.64 -1.09 -0.47 -1.13 121.20 120.33 2isa s ILE 202 Ca 0.17 -0.73 -0.01 0.00 -2.23 0.00 0.00 60.65 57.85 2isa s ILE 202 Cb -0.11 -1.41 0.12 0.00 -1.58 0.00 0.00 42.46 39.48 2isa s ILE 202 CO 0.07 0.46 0.80 -0.46 -1.23 0.00 0.00 174.94 174.58 2isa n ASN 203 N 3.83 0.98 0.07 3.58 0.23 -0.62 -1.61 115.26 121.72 2isa n ASN 203 Ca -0.20 -1.85 0.17 0.00 -0.53 0.00 0.00 54.58 52.17 2isa n ASN 203 Cb 0.52 -0.53 0.69 0.00 -2.08 0.00 0.00 39.78 38.38 2isa n ASN 203 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2isa h SER 204 N -0.53 0.00 -0.40 0.53 0.02 -1.88 -1.60 113.55 109.69 2isa h SER 204 Ca -0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2isa h SER 204 Cb 0.95 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.49 2isa h SER 204 CO 0.27 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.43 2isa n ASP 205 N -4.37 2.74 -1.84 3.07 8.00 -1.26 -4.92 116.55 117.97 2isa n ASP 205 Ca 0.06 -2.17 -0.20 0.00 0.71 0.00 0.00 54.79 53.19 2isa n ASP 205 Cb 0.47 -0.39 -0.06 0.00 -0.02 0.00 0.00 41.12 41.12 2isa n ASP 205 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2isa n ASN 206 N 0.63 -5.44 -4.77 -2.24 4.13 -0.60 -5.00 115.26 101.97 2isa n ASN 206 Ca 0.15 0.34 -0.39 0.00 1.68 0.00 0.00 54.58 56.36 2isa n ASN 206 Cb 0.50 -4.73 -0.06 0.00 -1.54 0.00 0.00 39.78 33.95 2isa n ASN 206 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2isa s GLU 207 N -4.13 4.56 -0.15 3.52 2.02 -1.26 -4.65 118.70 118.62 2isa s GLU 207 Ca 0.00 1.15 -0.05 0.00 0.02 0.00 0.00 54.97 56.10 2isa s GLU 207 Cb 0.00 -3.27 -0.03 0.00 0.10 0.00 0.00 34.13 30.93 2isa s GLU 207 CO 0.00 0.55 0.01 0.50 0.02 0.00 0.00 175.26 176.33 2isa s ARG 208 N -1.05 3.63 0.07 1.61 3.52 -1.26 -1.58 118.95 123.89 2isa s ARG 208 Ca 0.36 -0.43 0.10 0.00 -0.13 0.00 0.00 55.73 55.63 2isa s ARG 208 Cb -0.23 -3.00 -0.03 0.00 -1.56 0.00 0.00 34.95 30.13 2isa s ARG 208 CO 0.26 0.36 -0.26 0.71 -0.81 0.00 0.00 175.30 175.56 2isa s TYR 209 N 0.08 2.27 0.21 5.12 1.51 -0.28 -3.54 117.35 122.72 2isa s TYR 209 Ca 0.02 -0.40 -0.19 0.00 -1.01 0.00 0.00 57.07 55.49 2isa s TYR 209 Cb -0.13 -1.32 -0.08 0.00 -0.11 0.00 0.00 41.96 40.32 2isa s TYR 209 CO 0.02 0.19 0.70 -1.58 -1.11 0.00 0.00 175.55 173.77 2isa s TRP 210 N -0.89 3.64 0.02 2.71 0.52 0.46 -0.14 118.94 125.25 2isa s TRP 210 Ca 0.12 1.34 0.01 0.00 0.02 0.00 0.00 56.10 57.59 2isa s TRP 210 Cb -0.10 -2.58 -0.01 0.00 -1.15 0.00 0.00 33.47 29.62 2isa s TRP 210 CO 0.03 0.35 -0.04 0.54 0.02 0.00 0.00 176.95 177.85 2isa s VAL 211 N -1.52 0.22 -0.05 4.03 0.11 -0.04 -0.56 120.40 122.60 2isa s VAL 211 Ca 0.42 -0.61 0.06 0.00 -2.93 0.00 0.00 61.98 58.93 2isa s VAL 211 Cb -0.16 -0.29 -0.02 0.00 -1.53 0.00 0.00 36.38 34.38 2isa s VAL 211 CO 0.21 -0.25 -0.24 -0.54 -3.33 0.00 0.00 175.10 170.95 2isa s LYS 212 N -0.91 2.43 -0.18 1.54 -0.14 -0.80 -0.73 119.74 120.94 2isa s LYS 212 Ca -0.08 -0.88 -0.08 0.00 -1.36 0.00 0.00 55.97 53.57 2isa s LYS 212 Cb -0.06 -2.17 -0.04 0.00 -1.68 0.00 0.00 37.83 33.88 2isa s LYS 212 CO -0.00 0.47 0.10 -0.06 -0.76 0.00 0.00 175.35 175.09 2isa s PHE 213 N -0.36 3.34 -0.05 3.18 0.08 -1.26 -1.77 117.98 121.13 2isa s PHE 213 Ca 0.03 0.22 0.04 0.00 0.12 0.00 0.00 56.93 57.33 2isa s PHE 213 Cb -0.12 -2.10 0.00 0.00 -0.57 0.00 0.00 43.02 40.23 2isa s PHE 213 CO 0.02 0.26 -0.17 -1.01 -0.10 0.00 0.00 175.22 174.22 2isa s HIS 214 N 0.24 1.76 -0.32 0.36 3.76 0.22 -1.77 115.29 119.54 2isa s HIS 214 Ca 0.06 -0.56 0.01 0.00 -0.15 0.00 0.00 55.06 54.43 2isa s HIS 214 Cb -0.12 -1.20 0.08 0.00 1.11 0.00 0.00 32.58 32.45 2isa s HIS 214 CO -0.01 -0.21 0.03 -0.06 -0.85 0.00 0.00 174.74 173.64 2isa s PHE 215 N 0.18 3.52 -0.30 1.40 0.40 0.52 -0.75 117.98 122.95 2isa s PHE 215 Ca -0.07 -2.52 -0.20 0.00 -0.60 0.00 0.00 56.93 53.54 2isa s PHE 215 Cb -0.13 -2.58 -0.01 0.00 0.51 0.00 0.00 43.02 40.81 2isa s PHE 215 CO 0.03 -0.91 0.59 0.08 0.70 0.00 0.00 175.22 175.72 2isa s VAL 216 N 1.06 4.97 0.11 -0.44 1.01 0.13 -1.29 120.40 125.94 2isa s VAL 216 Ca 0.02 0.80 -0.31 0.00 0.00 0.00 0.00 61.98 62.50 2isa s VAL 216 Cb -0.20 -3.96 -0.10 0.00 0.00 0.00 0.00 36.38 32.12 2isa s VAL 216 CO -0.05 -0.10 1.76 -0.55 0.00 0.00 0.00 175.10 176.16 2isa s SER 217 N 1.63 6.48 0.00 3.32 0.15 -1.26 -0.71 113.70 123.32 2isa s SER 217 Ca 0.24 2.67 0.27 0.00 0.70 0.00 0.00 55.95 59.83 2isa s SER 217 Cb -0.15 -2.57 1.26 0.00 -1.71 0.00 0.00 66.02 62.85 2isa s SER 217 CO 0.11 -0.96 1.90 0.00 1.20 0.00 0.00 173.24 175.49 2isa n GLN 218 N 5.56 0.18 0.05 5.44 6.02 -0.39 -3.06 117.38 131.18 2isa n GLN 218 Ca 0.17 0.03 0.12 0.00 -0.01 0.00 0.00 57.00 57.31 2isa n GLN 218 Cb 0.39 -1.50 0.18 0.00 1.02 0.00 0.00 30.24 30.33 2isa n GLN 218 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2isa n GLN 219 N -1.40 0.24 0.00 -1.09 3.00 -1.26 -5.01 117.38 111.86 2isa n GLN 219 Ca 0.09 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 2isa n GLN 219 Cb 0.27 -1.65 0.00 0.00 0.00 0.00 0.00 30.24 28.87 2isa n GLN 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2isa n GLY 220 N 1.37 -0.98 3.69 1.08 0.00 -1.17 -4.92 105.19 104.26 2isa n GLY 220 Ca 0.04 -1.66 -0.38 0.00 0.00 0.00 0.00 46.02 44.02 2isa n GLY 220 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2isa s ILE 221 N -1.63 5.18 -0.02 -0.61 -1.09 -1.26 -4.24 121.20 117.53 2isa s ILE 221 Ca 0.00 0.86 0.01 0.00 -2.23 0.00 0.00 60.65 59.30 2isa s ILE 221 Cb 0.00 -3.79 0.01 0.00 -1.58 0.00 0.00 42.46 37.10 2isa s ILE 221 CO 0.00 0.27 -0.04 -0.54 -1.23 0.00 0.00 174.94 173.40 2isa s LYS 222 N 1.06 0.52 0.32 2.79 1.02 -1.07 -5.05 119.74 119.33 2isa s LYS 222 Ca 0.23 -0.13 0.05 0.00 0.02 0.00 0.00 55.97 56.13 2isa s LYS 222 Cb -0.15 -0.54 -0.06 0.00 -0.52 0.00 0.00 37.83 36.56 2isa s LYS 222 CO 0.09 0.03 0.02 -0.80 -0.92 0.00 0.00 175.35 173.77 2isa s ASN 223 N 0.30 2.58 0.02 2.83 0.01 -1.26 -0.61 114.94 118.81 2isa s ASN 223 Ca -0.03 -1.32 0.07 0.00 -0.71 0.00 0.00 52.86 50.87 2isa s ASN 223 Cb -0.07 -0.13 -0.02 0.00 0.41 0.00 0.00 41.25 41.44 2isa s ASN 223 CO -0.00 -0.52 -0.21 -0.76 -1.51 0.00 0.00 177.10 174.09 2isa s LEU 224 N -3.49 2.12 0.84 0.60 1.43 -0.14 -4.61 118.68 115.43 2isa s LEU 224 Ca 0.34 -0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 52.85 2isa s LEU 224 Cb 0.08 -1.03 0.10 0.00 0.03 0.00 0.00 46.19 45.36 2isa s LEU 224 CO 0.14 0.20 1.13 -0.94 0.23 0.00 0.00 176.35 177.11 2isa s SER 225 N -0.93 4.11 0.21 2.29 1.04 -1.26 -4.52 113.70 114.64 2isa s SER 225 Ca 0.08 1.07 -0.09 0.00 0.48 0.00 0.00 55.95 57.49 2isa s SER 225 Cb -0.09 -1.70 0.26 0.00 0.10 0.00 0.00 66.02 64.60 2isa s SER 225 CO 0.01 -2.18 1.78 0.44 0.98 0.00 0.00 173.24 174.27 2isa h ASP 226 N -1.24 0.42 -0.48 7.02 3.32 -1.99 0.23 116.42 123.70 2isa h ASP 226 Ca -0.48 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 56.57 2isa h ASP 226 Cb 1.30 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 2isa h ASP 226 CO 0.62 0.26 0.11 0.00 -1.72 0.00 0.00 179.24 178.50 2isa h ALA 227 N 1.38 0.63 -0.59 3.45 0.00 -1.99 0.20 119.26 122.33 2isa h ALA 227 Ca 0.31 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2isa h ALA 227 Cb 0.28 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2isa h ALA 227 CO -0.23 0.33 0.02 0.93 0.00 0.00 0.00 179.25 180.30 2isa h GLU 228 N 0.65 1.03 -0.53 0.00 5.08 -1.79 -2.62 114.58 116.39 2isa h GLU 228 Ca 0.15 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 2isa h GLU 228 Cb 0.35 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2isa h GLU 228 CO 0.00 1.01 0.07 0.00 -1.00 0.00 0.00 179.01 179.09 2isa h ALA 229 N 0.99 0.71 -0.50 3.43 0.00 -0.38 -1.96 119.26 121.55 2isa h ALA 229 Ca 0.17 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2isa h ALA 229 Cb 0.53 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2isa h ALA 229 CO 0.03 0.47 0.26 0.78 0.00 0.00 0.00 179.25 180.78 2isa h GLY 230 N 0.78 0.70 0.99 0.00 0.00 -0.89 0.98 103.07 105.63 2isa h GLY 230 Ca 0.16 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.32 2isa h GLY 230 CO 0.01 0.12 0.42 -2.09 0.00 0.00 0.00 176.54 175.00 2isa h GLU 231 N 0.50 0.83 -0.15 4.80 4.81 -1.36 -1.58 114.58 122.44 2isa h GLU 231 Ca 0.22 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2isa h GLU 231 Cb 0.12 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2isa h GLU 231 CO -0.15 0.55 0.04 1.25 -0.73 0.00 0.00 179.01 179.97 2isa h LEU 232 N 0.86 0.23 -0.57 1.64 5.85 -0.90 -3.07 115.31 119.35 2isa h LEU 232 Ca 0.24 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2isa h LEU 232 Cb -0.09 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 2isa h LEU 232 CO -0.06 0.40 0.37 0.58 -0.34 0.00 0.00 178.44 179.39 2isa h VAL 233 N 0.05 1.11 -0.70 1.05 2.07 -0.71 0.11 116.25 119.22 2isa h VAL 233 Ca 0.05 -0.25 0.18 0.00 0.82 0.00 0.00 66.70 67.50 2isa h VAL 233 Cb 0.26 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2isa h VAL 233 CO 0.00 0.13 0.49 1.23 0.02 0.00 0.00 177.57 179.45 2isa h GLY 234 N 0.73 0.21 0.68 2.17 0.00 -1.25 -2.26 103.07 103.36 2isa h GLY 234 Ca 0.22 -0.05 -0.32 0.00 0.00 0.00 0.00 47.33 47.18 2isa h GLY 234 CO -0.07 0.01 -1.92 0.70 0.00 0.00 0.00 176.54 175.26 2isa n ASN 235 N -4.38 0.81 -3.22 0.19 5.03 -0.70 -4.94 115.26 108.04 2isa n ASN 235 Ca 0.14 0.28 -0.01 0.00 0.87 0.00 0.00 54.58 55.86 2isa n ASN 235 Cb 0.69 0.11 -0.03 0.00 -1.02 0.00 0.00 39.78 39.53 2isa n ASN 235 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2isa s ASP 236 N -6.04 -0.79 0.00 6.41 2.15 0.30 -4.99 116.67 113.70 2isa s ASP 236 Ca -0.08 0.57 0.27 0.00 0.43 0.00 0.00 52.55 53.73 2isa s ASP 236 Cb 0.07 1.77 1.24 0.00 -0.30 0.00 0.00 42.92 45.70 2isa s ASP 236 CO 0.81 -0.28 1.88 0.54 -0.17 0.00 0.00 175.17 177.96 2isa n ARG 237 N 5.40 0.18 -0.64 4.34 3.00 -1.24 -3.80 116.66 123.90 2isa n ARG 237 Ca -0.01 0.04 0.01 0.00 -0.01 0.00 0.00 57.85 57.88 2isa n ARG 237 Cb 0.51 -1.50 0.20 0.00 0.00 0.00 0.00 32.46 31.67 2isa n ARG 237 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2isa n GLU 238 N -1.40 1.81 -0.21 5.56 -0.58 -1.26 -1.01 120.64 123.56 2isa n GLU 238 Ca 0.09 -3.13 0.08 0.00 -0.42 0.00 0.00 57.16 53.78 2isa n GLU 238 Cb 0.26 -1.73 0.36 0.00 -0.57 0.00 0.00 31.44 29.76 2isa n GLU 238 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2isa h SER 239 N 0.98 0.67 0.53 1.62 4.64 -1.94 -0.77 113.55 119.28 2isa h SER 239 Ca 0.11 0.01 -0.29 0.00 -0.47 0.00 0.00 61.79 61.15 2isa h SER 239 Cb 1.38 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 63.31 2isa h SER 239 CO 0.22 0.41 -1.54 0.45 -0.87 0.00 0.00 176.83 175.50 2isa h HIS 240 N 0.75 0.23 -0.16 4.77 3.86 -1.91 -2.16 115.15 120.53 2isa h HIS 240 Ca 0.35 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 2isa h HIS 240 Cb 0.37 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 2isa h HIS 240 CO -0.00 1.23 0.08 0.37 0.86 0.00 0.00 177.93 180.46 2isa h GLN 241 N 0.03 0.22 -0.48 2.45 5.75 -1.91 -1.97 115.11 119.21 2isa h GLN 241 Ca -0.23 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.29 2isa h GLN 241 Cb 1.97 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 30.43 2isa h GLN 241 CO 0.12 0.26 0.19 -0.09 -2.65 0.00 0.00 178.83 176.66 2isa h ARG 242 N 0.13 0.36 -0.16 1.69 2.43 -1.15 -0.98 114.38 116.69 2isa h ARG 242 Ca 0.05 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2isa h ARG 242 Cb 0.11 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2isa h ARG 242 CO -0.01 0.24 0.09 0.22 -1.51 0.00 0.00 179.97 179.00 2isa h ASP 243 N 0.38 0.21 0.19 -3.80 3.58 -1.34 -0.95 116.42 114.69 2isa h ASP 243 Ca 0.22 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 2isa h ASP 243 Cb 0.21 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2isa h ASP 243 CO -0.21 0.25 -0.09 0.25 -2.88 0.00 0.00 179.24 176.55 2isa h LEU 244 N 0.16 -0.22 0.26 2.28 5.85 -1.07 0.93 115.31 123.50 2isa h LEU 244 Ca 0.06 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.63 2isa h LEU 244 Cb 0.09 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2isa h LEU 244 CO -0.01 0.04 -0.42 0.25 -0.34 0.00 0.00 178.44 177.96 2isa h LEU 245 N -0.47 -1.20 -1.00 2.25 5.85 -1.23 -1.61 115.31 117.90 2isa h LEU 245 Ca -0.03 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2isa h LEU 245 Cb 0.36 0.43 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 2isa h LEU 245 CO 0.04 -0.53 0.66 0.44 -0.34 0.00 0.00 178.44 178.72 2isa h ASP 246 N -0.75 1.14 -0.65 1.25 3.32 -1.17 -0.42 116.42 119.14 2isa h ASP 246 Ca -0.01 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 2isa h ASP 246 Cb 0.72 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 2isa h ASP 246 CO -0.16 0.83 0.37 0.28 -1.72 0.00 0.00 179.24 178.83 2isa h SER 247 N 1.35 0.80 -0.24 6.45 0.02 -0.60 -1.13 113.55 120.20 2isa h SER 247 Ca 0.37 -0.08 -0.17 0.00 -0.84 0.00 0.00 61.79 61.07 2isa h SER 247 Cb -0.15 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.19 2isa h SER 247 CO -0.08 0.65 -0.50 0.40 -1.14 0.00 0.00 176.83 176.15 2isa h ILE 248 N 0.88 1.30 -0.14 3.27 2.04 -0.90 0.25 117.51 124.21 2isa h ILE 248 Ca 0.23 -1.71 -0.01 0.00 1.00 0.00 0.00 64.86 64.37 2isa h ILE 248 Cb 0.02 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 2isa h ILE 248 CO -0.04 0.55 0.03 0.44 0.00 0.00 0.00 178.15 179.13 2isa h ASP 249 N 0.51 0.18 -0.06 1.72 3.32 -0.96 -1.28 116.42 119.84 2isa h ASP 249 Ca 0.01 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2isa h ASP 249 Cb 1.11 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2isa h ASP 249 CO 0.11 0.19 0.00 0.59 -1.72 0.00 0.00 179.24 178.41 2isa n ASN 250 N -4.45 0.69 -2.33 6.45 5.03 -0.44 -4.90 115.26 115.31 2isa n ASN 250 Ca -0.01 -1.49 -0.20 0.00 0.87 0.00 0.00 54.58 53.75 2isa n ASN 250 Cb 0.13 -0.04 -0.00 0.00 -1.02 0.00 0.00 39.78 38.85 2isa n ASN 250 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2isa n GLN 251 N -0.35 -1.91 -3.17 3.52 6.02 -0.48 -4.94 117.38 116.06 2isa n GLN 251 Ca 0.16 0.96 -0.44 0.00 -0.01 0.00 0.00 57.00 57.66 2isa n GLN 251 Cb 0.18 -5.58 0.00 0.00 1.02 0.00 0.00 30.24 25.87 2isa n GLN 251 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2isa n ASP 252 N -1.85 5.75 -4.67 1.08 10.43 0.87 -5.01 116.55 123.15 2isa n ASP 252 Ca -0.22 -3.14 -0.43 0.00 2.57 0.00 0.00 54.79 53.57 2isa n ASP 252 Cb 0.67 -1.37 -0.02 0.00 1.84 0.00 0.00 41.12 42.24 2isa n ASP 252 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 2isa s PHE 253 N -1.43 2.83 0.39 1.24 2.99 -1.26 -4.34 117.98 118.40 2isa s PHE 253 Ca 0.32 0.96 -0.25 0.00 0.00 0.00 0.00 56.93 57.97 2isa s PHE 253 Cb -0.04 -3.53 -0.09 0.00 0.00 0.00 0.00 43.02 39.35 2isa s PHE 253 CO -0.02 -1.86 1.09 -1.25 -0.00 0.00 0.00 175.22 173.19 2isa s PRO 254 N 3.25 4.18 0.06 0.24 0.04 -1.25 -4.82 135.00 136.69 2isa s PRO 254 Ca 0.57 1.65 0.04 0.00 0.04 0.00 0.00 61.00 63.31 2isa s PRO 254 Cb -0.24 -2.66 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 2isa s PRO 254 CO 0.18 -0.16 -0.13 0.15 0.04 0.00 0.00 177.00 177.08 2isa s LYS 255 N -2.30 0.79 0.04 4.56 1.02 -1.26 -1.75 119.74 120.83 2isa s LYS 255 Ca 0.56 -0.85 0.04 0.00 0.02 0.00 0.00 55.97 55.74 2isa s LYS 255 Cb -0.26 -0.76 -0.02 0.00 -0.52 0.00 0.00 37.83 36.27 2isa s LYS 255 CO 0.33 0.17 -0.12 -1.58 -0.92 0.00 0.00 175.35 173.23 2isa s TRP 256 N -1.14 1.05 -0.27 3.18 0.51 -0.53 -1.26 118.94 120.48 2isa s TRP 256 Ca -0.02 -0.35 -0.13 0.00 -2.12 0.00 0.00 56.10 53.47 2isa s TRP 256 Cb -0.09 -0.63 -0.04 0.00 -0.81 0.00 0.00 33.47 31.90 2isa s TRP 256 CO 0.02 0.01 0.29 0.99 -0.51 0.00 0.00 176.95 177.74 2isa s THR 257 N -0.88 5.24 -0.12 2.01 2.01 0.12 -0.98 115.64 123.04 2isa s THR 257 Ca -0.00 0.38 -0.29 0.00 0.31 0.00 0.00 61.69 62.08 2isa s THR 257 Cb -0.08 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 2isa s THR 257 CO 0.01 0.20 1.25 -0.22 -0.69 0.00 0.00 174.62 175.17 2isa s LEU 258 N 1.91 4.22 0.11 4.42 2.96 0.11 -0.70 118.68 131.72 2isa s LEU 258 Ca 0.11 1.75 0.07 0.00 -0.22 0.00 0.00 54.13 55.85 2isa s LEU 258 Cb -0.16 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 2isa s LEU 258 CO 0.10 -0.70 -0.18 -0.54 -1.32 0.00 0.00 176.35 173.72 2isa s LYS 259 N 3.01 1.08 0.12 1.98 1.02 0.07 -0.96 119.74 126.06 2isa s LYS 259 Ca 0.55 -1.19 0.08 0.00 0.02 0.00 0.00 55.97 55.43 2isa s LYS 259 Cb -0.23 -1.18 -0.04 0.00 -0.52 0.00 0.00 37.83 35.86 2isa s LYS 259 CO 0.18 0.26 -0.19 0.14 -0.92 0.00 0.00 175.35 174.82 2isa s VAL 260 N -1.56 1.64 -0.14 3.17 -7.23 0.37 -0.61 120.40 116.04 2isa s VAL 260 Ca 0.07 -1.66 -0.07 0.00 -1.81 0.00 0.00 61.98 58.51 2isa s VAL 260 Cb -0.08 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 2isa s VAL 260 CO 0.04 -0.20 0.12 -1.10 -0.31 0.00 0.00 175.10 173.65 2isa s GLN 261 N -2.26 3.62 -0.14 4.82 -0.21 -0.73 0.09 119.66 124.85 2isa s GLN 261 Ca 0.09 -0.19 0.00 0.00 0.02 0.00 0.00 55.36 55.28 2isa s GLN 261 Cb -0.08 -3.21 0.02 0.00 1.00 0.00 0.00 33.01 30.74 2isa s GLN 261 CO 0.05 0.62 -0.14 0.42 -2.12 0.00 0.00 175.29 174.11 2isa s ILE 262 N -0.57 1.54 -0.21 1.08 1.01 -1.26 -1.91 121.20 120.88 2isa s ILE 262 Ca 0.12 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 2isa s ILE 262 Cb -0.12 -1.44 0.02 0.00 0.01 0.00 0.00 42.46 40.93 2isa s ILE 262 CO 0.02 0.45 -0.11 -0.32 0.00 0.00 0.00 174.94 174.98 2isa s MET 263 N 1.45 3.00 0.38 2.79 -2.45 0.28 -4.98 119.30 119.77 2isa s MET 263 Ca 0.04 -0.85 -0.26 0.00 -1.25 0.00 0.00 55.69 53.37 2isa s MET 263 Cb -0.13 -2.82 -0.11 0.00 1.25 0.00 0.00 34.83 33.02 2isa s MET 263 CO -0.10 -0.28 1.14 -2.30 1.05 0.00 0.00 175.02 174.53 2isa n PRO 264 N 4.67 1.68 -0.33 4.11 -0.02 -1.26 -0.40 135.00 143.44 2isa n PRO 264 Ca -0.19 0.59 0.13 0.00 -2.02 0.00 0.00 63.50 62.02 2isa n PRO 264 Cb 0.49 -2.16 0.35 0.00 -0.02 0.00 0.00 33.50 32.16 2isa n PRO 264 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2isa h GLU 265 N 1.98 0.70 0.00 -0.52 4.81 -1.93 -1.43 114.58 118.20 2isa h GLU 265 Ca -0.45 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.68 2isa h GLU 265 Cb 1.31 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 2isa h GLU 265 CO 0.59 0.46 -0.26 0.00 -0.73 0.00 0.00 179.01 179.08 2isa h ALA 266 N 1.62 1.12 -0.30 2.92 0.00 -1.90 -3.04 119.26 119.68 2isa h ALA 266 Ca 0.54 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2isa h ALA 266 Cb 0.89 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2isa h ALA 266 CO -0.32 0.32 0.09 -0.44 0.00 0.00 0.00 179.25 178.91 2isa h ASP 267 N 0.00 0.39 -0.83 0.00 5.19 -1.61 -3.18 116.42 116.37 2isa h ASP 267 Ca -0.00 -0.04 0.19 0.00 -0.62 0.00 0.00 57.03 56.55 2isa h ASP 267 Cb 0.67 -0.10 -0.06 0.00 0.18 0.00 0.00 39.33 40.02 2isa h ASP 267 CO 0.03 0.38 0.56 0.00 -3.12 0.00 0.00 179.24 177.10 2isa h ALA 268 N 1.68 2.24 0.00 3.45 0.00 -1.66 0.16 119.26 125.13 2isa h ALA 268 Ca 0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2isa h ALA 268 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2isa h ALA 268 CO -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 179.25 178.76 2isa h ALA 269 N 1.62 1.00 0.00 0.00 0.00 -1.78 -3.38 119.26 116.73 2isa h ALA 269 Ca 0.42 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.17 2isa h ALA 269 Cb 1.09 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2isa h ALA 269 CO -0.14 0.00 -1.82 0.25 0.00 0.00 0.00 179.25 177.55 2isa n THR 270 N -2.91 0.61 -1.73 0.00 -2.24 0.49 -5.01 114.28 103.49 2isa n THR 270 Ca 0.04 -0.48 -0.40 0.00 -2.27 0.00 0.00 64.05 60.94 2isa n THR 270 Cb 0.46 -0.38 0.02 0.00 -2.10 0.00 0.00 70.33 68.33 2isa n THR 270 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2isa n VAL 271 N -2.33 3.06 1.08 2.28 0.24 -0.67 -4.90 118.33 117.09 2isa n VAL 271 Ca -0.15 -0.50 0.10 0.00 -2.04 0.00 0.00 64.34 61.75 2isa n VAL 271 Cb 0.75 -1.68 0.55 0.00 -1.47 0.00 0.00 33.84 31.99 2isa n VAL 271 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2isa n PRO 272 N -0.39 0.42 -4.33 7.34 -0.04 -1.26 -4.71 135.00 132.02 2isa n PRO 272 Ca 0.07 0.06 -0.26 0.00 -0.04 0.00 0.00 63.50 63.34 2isa n PRO 272 Cb 0.42 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.25 2isa n PRO 272 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2isa s TYR 273 N -2.37 2.02 -0.19 0.54 -0.85 -1.26 -5.09 117.35 110.15 2isa s TYR 273 Ca 0.23 -0.40 -0.29 0.00 -0.52 0.00 0.00 57.07 56.09 2isa s TYR 273 Cb 0.14 -1.10 -0.03 0.00 0.38 0.00 0.00 41.96 41.35 2isa s TYR 273 CO 0.28 0.27 1.66 1.21 -1.52 0.00 0.00 175.55 177.45 2isa s ASN 274 N -2.01 6.38 0.00 -0.18 3.84 -1.26 -4.88 114.94 116.83 2isa s ASN 274 Ca 0.10 1.76 0.20 0.00 0.21 0.00 0.00 52.86 55.13 2isa s ASN 274 Cb -0.10 -2.53 0.87 0.00 -0.55 0.00 0.00 41.25 38.94 2isa s ASN 274 CO 0.05 -1.23 1.65 -0.81 -2.79 0.00 0.00 177.10 173.97 2isa n PRO 275 N 7.62 0.01 -0.27 0.43 -0.04 -1.26 -2.72 135.00 138.76 2isa n PRO 275 Ca 0.19 0.15 0.07 0.00 -0.04 0.00 0.00 63.50 63.87 2isa n PRO 275 Cb 0.45 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.61 2isa n PRO 275 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2isa n PHE 276 N -1.49 0.67 -2.97 0.54 3.72 -1.26 -4.62 117.46 112.05 2isa n PHE 276 Ca 0.05 -0.56 -0.43 0.00 -0.05 0.00 0.00 57.45 56.46 2isa n PHE 276 Cb 0.23 -0.08 -0.05 0.00 -0.94 0.00 0.00 39.48 38.64 2isa n PHE 276 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2isa s ASP 277 N -1.13 6.41 0.38 4.37 -1.08 -1.10 -4.40 116.67 120.12 2isa s ASP 277 Ca 0.31 -0.09 0.26 0.00 -0.52 0.00 0.00 52.55 52.51 2isa s ASP 277 Cb 0.18 -2.38 1.35 0.00 -1.46 0.00 0.00 42.92 40.61 2isa s ASP 277 CO 0.17 -0.90 1.80 0.25 0.52 0.00 0.00 175.17 177.02 2isa h LEU 278 N 10.09 0.00 -0.99 -1.34 5.85 -1.90 -1.24 115.31 125.78 2isa h LEU 278 Ca -0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2isa h LEU 278 Cb 1.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.12 2isa h LEU 278 CO 0.95 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 179.40 2isa n THR 279 N -2.43 0.10 -4.29 1.05 -2.24 -1.26 -1.95 114.28 103.25 2isa n THR 279 Ca -0.01 -0.28 -0.24 0.00 -2.27 0.00 0.00 64.05 61.25 2isa n THR 279 Cb 0.09 0.39 -0.12 0.00 -2.10 0.00 0.00 70.33 68.59 2isa n THR 279 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2isa s LYS 280 N -1.90 1.15 0.37 -0.78 1.02 -0.47 -4.84 119.74 114.29 2isa s LYS 280 Ca 0.35 -1.19 0.07 0.00 0.02 0.00 0.00 55.97 55.22 2isa s LYS 280 Cb 0.19 -1.40 -0.01 0.00 -0.52 0.00 0.00 37.83 36.09 2isa s LYS 280 CO 0.30 0.32 0.42 0.14 -0.92 0.00 0.00 175.35 175.61 2isa s VAL 281 N -1.25 3.38 -0.23 3.17 -7.23 -1.26 -4.84 120.40 112.13 2isa s VAL 281 Ca 0.08 -1.18 -0.15 0.00 -1.81 0.00 0.00 61.98 58.92 2isa s VAL 281 Cb -0.10 -3.17 -0.04 0.00 0.56 0.00 0.00 36.38 33.64 2isa s VAL 281 CO 0.05 -0.09 0.34 0.26 -0.31 0.00 0.00 175.10 175.35 2isa s TRP 282 N -2.31 3.32 0.15 2.82 0.51 -1.26 -5.05 118.94 117.12 2isa s TRP 282 Ca 0.47 0.47 -0.34 0.00 -2.12 0.00 0.00 56.10 54.58 2isa s TRP 282 Cb -0.07 -2.49 -0.14 0.00 -0.81 0.00 0.00 33.47 29.95 2isa s TRP 282 CO 0.30 -0.07 1.53 -2.30 -0.51 0.00 0.00 176.95 175.89 2isa n PRO 283 N 4.72 1.94 0.22 4.98 -0.02 -1.26 -4.84 135.00 140.75 2isa n PRO 283 Ca -0.10 0.70 0.11 0.00 -2.02 0.00 0.00 63.50 62.20 2isa n PRO 283 Cb 0.51 -2.44 0.70 0.00 -0.02 0.00 0.00 33.50 32.25 2isa n PRO 283 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2isa h HIS 284 N 5.62 0.00 -0.57 6.00 3.86 -1.97 -0.52 115.15 127.57 2isa h HIS 284 Ca -0.45 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 58.77 2isa h HIS 284 Cb 1.27 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.71 2isa h HIS 284 CO 0.62 0.00 0.37 -0.22 0.86 0.00 0.00 177.93 179.56 2isa h LYS 285 N 0.00 0.72 -0.05 2.45 3.64 -1.99 -2.02 116.57 119.33 2isa h LYS 285 Ca 0.04 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 2isa h LYS 285 Cb 0.18 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2isa h LYS 285 CO -0.00 0.48 -0.80 -0.44 -2.27 0.00 0.00 179.45 176.41 2isa h ASP 286 N 0.74 0.79 -3.00 4.20 3.32 -1.61 -3.41 116.42 117.46 2isa h ASP 286 Ca 0.21 -0.71 -0.59 0.00 0.02 0.00 0.00 57.03 55.96 2isa h ASP 286 Cb -0.06 -0.24 -0.39 0.00 0.22 0.00 0.00 39.33 38.86 2isa h ASP 286 CO -0.06 1.38 -0.80 -0.31 -1.72 0.00 0.00 179.24 177.74 2isa s TYR 287 N -3.43 1.27 0.61 4.55 2.02 -0.32 -5.07 117.35 116.97 2isa s TYR 287 Ca -0.11 -1.96 -0.19 0.00 -0.37 0.00 0.00 57.07 54.44 2isa s TYR 287 Cb 0.06 -1.34 -0.03 0.00 -0.40 0.00 0.00 41.96 40.25 2isa s TYR 287 CO 0.88 -0.81 1.23 -2.14 -1.57 0.00 0.00 175.55 173.14 2isa s PRO 288 N 0.78 2.88 0.16 -1.71 0.02 -0.77 -4.35 135.00 132.01 2isa s PRO 288 Ca 0.18 1.87 -0.31 0.00 0.02 0.00 0.00 61.00 62.76 2isa s PRO 288 Cb -0.24 -1.91 -0.09 0.00 0.02 0.00 0.00 34.50 32.28 2isa s PRO 288 CO 0.00 -1.29 1.47 -0.51 -0.33 0.00 0.00 177.00 176.34 2isa s LEU 289 N -4.14 4.38 -0.22 -5.54 1.02 -1.26 -4.56 118.68 108.35 2isa s LEU 289 Ca 0.78 2.51 -0.04 0.00 0.02 0.00 0.00 54.13 57.40 2isa s LEU 289 Cb -0.32 -3.60 -0.01 0.00 0.02 0.00 0.00 46.19 42.29 2isa s LEU 289 CO 0.34 -0.72 -0.04 -0.63 0.02 0.00 0.00 176.35 175.32 2isa s ILE 290 N 0.88 3.39 0.38 -0.59 1.01 0.11 -4.89 121.20 121.49 2isa s ILE 290 Ca 0.66 -0.49 -0.26 0.00 0.00 0.00 0.00 60.65 60.56 2isa s ILE 290 Cb -0.41 -2.54 -0.09 0.00 0.01 0.00 0.00 42.46 39.44 2isa s ILE 290 CO 0.33 0.42 1.21 -0.70 0.00 0.00 0.00 174.94 176.20 2isa s GLU 291 N 1.46 4.12 0.01 2.79 2.12 -1.26 -0.48 118.70 127.46 2isa s GLU 291 Ca 0.06 1.94 0.00 0.00 0.36 0.00 0.00 54.97 57.33 2isa s GLU 291 Cb -0.14 -2.78 0.00 0.00 0.26 0.00 0.00 34.13 31.47 2isa s GLU 291 CO -0.03 -0.29 0.00 0.28 -0.54 0.00 0.00 175.26 174.68 2isa n VAL 292 N 0.26 0.05 -3.63 3.70 0.31 -0.13 -4.65 118.33 114.25 2isa n VAL 292 Ca 0.03 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2isa n VAL 292 Cb 0.45 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 2isa n VAL 292 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2isa n GLY 293 N 2.65 0.52 3.19 2.92 0.00 -1.13 -1.27 105.19 112.06 2isa n GLY 293 Ca 0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 2isa n GLY 293 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2isa s GLU 294 N -0.90 0.76 0.11 1.61 -1.05 -0.74 0.08 118.70 118.57 2isa s GLU 294 Ca 0.00 -0.80 0.06 0.00 -0.15 0.00 0.00 54.97 54.08 2isa s GLU 294 Cb 0.00 0.31 -0.04 0.00 -0.44 0.00 0.00 34.13 33.96 2isa s GLU 294 CO 0.00 -0.23 -0.15 -0.59 0.95 0.00 0.00 175.26 175.25 2isa s PHE 295 N -3.20 1.42 0.05 4.83 -0.12 -0.15 -0.74 117.98 120.07 2isa s PHE 295 Ca -0.00 -0.52 0.06 0.00 -0.05 0.00 0.00 56.93 56.41 2isa s PHE 295 Cb 0.02 -0.75 -0.02 0.00 -0.63 0.00 0.00 43.02 41.63 2isa s PHE 295 CO -0.07 0.14 -0.16 -1.83 -0.05 0.00 0.00 175.22 173.25 2isa s GLU 296 N -2.45 1.03 -0.31 1.99 -1.05 -0.88 -1.45 118.70 115.58 2isa s GLU 296 Ca 0.07 -0.84 -0.11 0.00 -0.15 0.00 0.00 54.97 53.94 2isa s GLU 296 Cb -0.06 -1.08 -0.02 0.00 -0.44 0.00 0.00 34.13 32.53 2isa s GLU 296 CO 0.03 0.26 0.18 -0.51 0.95 0.00 0.00 175.26 176.18 2isa s LEU 297 N -1.25 4.19 -0.00 1.83 1.43 -0.72 -1.06 118.68 123.10 2isa s LEU 297 Ca 0.03 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 2isa s LEU 297 Cb -0.08 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.08 2isa s LEU 297 CO 0.02 -0.17 0.73 -0.46 0.23 0.00 0.00 176.35 176.70 2isa n ASN 298 N 5.04 0.87 -3.62 2.29 0.23 -0.12 -3.83 115.26 116.11 2isa n ASN 298 Ca -0.14 -1.49 -0.11 0.00 -0.53 0.00 0.00 54.58 52.32 2isa n ASN 298 Cb 0.50 -0.02 -0.11 0.00 -2.08 0.00 0.00 39.78 38.07 2isa n ASN 298 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 2isa s ARG 299 N -0.48 0.25 0.27 -3.83 3.52 -0.86 -5.01 118.95 112.81 2isa s ARG 299 Ca 0.01 0.83 -0.29 0.00 -0.13 0.00 0.00 55.73 56.14 2isa s ARG 299 Cb 0.01 0.03 -0.09 0.00 -1.56 0.00 0.00 34.95 33.33 2isa s ARG 299 CO 0.00 -0.33 1.01 -0.80 -0.81 0.00 0.00 175.30 174.38 2isa s ASN 300 N 2.52 7.42 0.55 -2.12 0.02 -1.26 -0.26 114.94 121.81 2isa s ASN 300 Ca 0.02 2.08 -0.21 0.00 -1.02 0.00 0.00 52.86 53.72 2isa s ASN 300 Cb -0.13 -2.61 -0.05 0.00 0.02 0.00 0.00 41.25 38.48 2isa s ASN 300 CO -0.11 -0.02 1.31 -2.65 0.02 0.00 0.00 177.10 175.65 2isa n PRO 301 N 1.21 1.59 0.02 -0.60 -0.02 -1.26 -4.91 135.00 131.04 2isa n PRO 301 Ca -0.01 0.59 -0.19 0.00 -2.02 0.00 0.00 63.50 61.86 2isa n PRO 301 Cb 0.46 -2.52 -0.10 0.00 -0.02 0.00 0.00 33.50 31.32 2isa n PRO 301 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2isa h GLN 302 N 1.32 0.71 -4.32 -0.52 4.20 -2.01 -3.43 115.11 111.05 2isa h GLN 302 Ca -0.50 -0.72 -0.57 0.00 0.06 0.00 0.00 58.65 56.92 2isa h GLN 302 Cb 1.31 0.19 -0.37 0.00 0.30 0.00 0.00 27.48 28.91 2isa h GLN 302 CO 0.56 1.30 -0.80 1.21 -0.67 0.00 0.00 178.83 180.43 2isa s ASN 303 N -7.22 2.93 0.13 1.46 3.84 -1.26 -5.04 114.94 109.78 2isa s ASN 303 Ca -0.10 -0.68 -0.18 0.00 0.21 0.00 0.00 52.86 52.10 2isa s ASN 303 Cb 0.07 -1.02 -0.03 0.00 -0.55 0.00 0.00 41.25 39.72 2isa s ASN 303 CO 0.91 -0.16 1.77 0.22 -2.79 0.00 0.00 177.10 177.05 2isa h TYR 304 N 8.08 0.39 0.33 0.43 5.03 -1.97 -2.24 116.97 127.02 2isa h TYR 304 Ca -0.27 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.03 2isa h TYR 304 Cb 1.11 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 39.26 2isa h TYR 304 CO 0.47 0.28 -0.21 0.35 -1.32 0.00 0.00 178.16 177.73 2isa h PHE 305 N 0.39 -0.55 -0.21 -3.82 3.57 -1.96 0.31 116.94 114.68 2isa h PHE 305 Ca 0.11 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.52 2isa h PHE 305 Cb -0.01 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2isa h PHE 305 CO -0.05 -0.32 -0.24 0.00 -2.23 0.00 0.00 178.31 175.47 2isa h ALA 306 N 0.12 1.20 0.00 2.41 0.00 -1.97 -1.78 119.26 119.24 2isa h ALA 306 Ca -0.03 -0.32 -0.30 0.00 0.00 0.00 0.00 54.91 54.26 2isa h ALA 306 Cb 0.43 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 2isa h ALA 306 CO 0.03 0.52 -2.13 0.39 0.00 0.00 0.00 179.25 178.06 2isa n GLU 307 N -4.14 0.94 -0.11 0.00 1.02 -0.84 -4.38 120.64 113.13 2isa n GLU 307 Ca -0.01 0.06 -0.18 0.00 -0.02 0.00 0.00 57.16 57.02 2isa n GLU 307 Cb 0.38 -1.41 -0.06 0.00 -0.02 0.00 0.00 31.44 30.34 2isa n GLU 307 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2isa n VAL 308 N -2.85 1.51 -0.38 2.62 0.31 0.96 -3.89 118.33 116.60 2isa n VAL 308 Ca -0.31 -0.08 -0.01 0.00 -0.01 0.00 0.00 64.34 63.93 2isa n VAL 308 Cb 0.95 -2.15 0.12 0.00 -0.91 0.00 0.00 33.84 31.84 2isa n VAL 308 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2isa h GLU 309 N -1.00 1.30 -0.01 5.55 4.57 -1.03 -1.96 114.58 122.00 2isa h GLU 309 Ca -0.29 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 2isa h GLU 309 Cb 1.24 -0.29 0.00 0.00 -0.16 0.00 0.00 28.75 29.54 2isa h GLU 309 CO -0.18 0.86 -0.03 1.04 -1.18 0.00 0.00 179.01 179.52 2isa n GLN 310 N -4.40 1.15 -2.00 1.92 6.02 -0.68 -4.88 117.38 114.51 2isa n GLN 310 Ca 0.13 -0.41 -0.41 0.00 -0.01 0.00 0.00 57.00 56.30 2isa n GLN 310 Cb 0.04 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.79 2isa n GLN 310 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2isa s ALA 311 N -2.13 3.55 -0.13 -1.58 0.00 -0.74 -4.89 121.76 115.84 2isa s ALA 311 Ca 0.39 1.37 -0.01 0.00 0.00 0.00 0.00 51.96 53.71 2isa s ALA 311 Cb 0.21 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.83 2isa s ALA 311 CO 0.39 -0.78 -0.05 0.00 0.00 0.00 0.00 175.76 175.32 2isa s ALA 312 N -0.86 1.27 -0.24 0.00 0.00 -1.26 -5.04 121.76 115.63 2isa s ALA 312 Ca 0.53 -0.61 -0.05 0.00 0.00 0.00 0.00 51.96 51.83 2isa s ALA 312 Cb -0.42 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 21.70 2isa s ALA 312 CO 0.53 -0.63 -0.00 -0.06 0.00 0.00 0.00 175.76 175.60 2isa s PHE 313 N 1.73 3.01 -0.22 0.00 0.40 -1.26 -4.95 117.98 116.70 2isa s PHE 313 Ca 0.03 -0.85 0.02 0.00 -0.60 0.00 0.00 56.93 55.53 2isa s PHE 313 Cb -0.14 -2.15 0.04 0.00 0.51 0.00 0.00 43.02 41.28 2isa s PHE 313 CO -0.08 -0.52 -0.14 1.21 0.70 0.00 0.00 175.22 176.40 2isa s ASN 314 N 1.51 3.83 0.64 1.36 3.04 -1.26 -4.93 114.94 119.12 2isa s ASN 314 Ca 0.05 -1.06 0.35 0.00 0.04 0.00 0.00 52.86 52.25 2isa s ASN 314 Cb -0.15 -1.48 1.97 0.00 -1.54 0.00 0.00 41.25 40.06 2isa s ASN 314 CO -0.01 -0.12 2.18 -0.65 -3.04 0.00 0.00 177.10 175.46 2isa h PRO 315 N 7.86 0.00 0.00 0.43 0.11 -1.85 0.14 132.00 138.69 2isa h PRO 315 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2isa h PRO 315 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2isa h PRO 315 CO 0.52 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.31 2isa n ALA 316 N -2.12 1.75 -2.64 -0.75 0.00 -1.26 -4.36 120.51 111.13 2isa n ALA 316 Ca -0.01 0.06 -0.43 0.00 0.00 0.00 0.00 53.44 53.05 2isa n ALA 316 Cb 0.22 -1.39 -0.00 0.00 0.00 0.00 0.00 19.45 18.28 2isa n ALA 316 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2isa s ASN 317 N -4.18 6.87 0.39 0.00 0.02 0.50 -4.94 114.94 113.59 2isa s ASN 317 Ca 0.05 -2.53 0.08 0.00 -1.02 0.00 0.00 52.86 49.44 2isa s ASN 317 Cb 0.10 -2.55 -0.01 0.00 0.02 0.00 0.00 41.25 38.81 2isa s ASN 317 CO 0.41 -1.10 0.44 0.54 0.02 0.00 0.00 177.10 177.41 2isa s VAL 318 N 3.78 3.22 0.19 1.60 0.11 -1.26 -1.30 120.40 126.73 2isa s VAL 318 Ca 0.52 -1.17 0.09 0.00 -2.93 0.00 0.00 61.98 58.48 2isa s VAL 318 Cb 0.03 -3.12 -0.04 0.00 -1.53 0.00 0.00 36.38 31.72 2isa s VAL 318 CO 0.06 -0.07 -0.17 0.68 -3.33 0.00 0.00 175.10 172.28 2isa s VAL 319 N -2.34 1.85 0.06 2.04 -7.23 -1.26 -4.81 120.40 108.71 2isa s VAL 319 Ca 0.48 -2.05 -0.37 0.00 -1.81 0.00 0.00 61.98 58.23 2isa s VAL 319 Cb -0.07 -1.94 -0.17 0.00 0.56 0.00 0.00 36.38 34.76 2isa s VAL 319 CO 0.30 -0.41 1.32 -2.65 -0.31 0.00 0.00 175.10 173.35 2isa n PRO 320 N 0.01 1.01 0.00 4.82 -0.02 -1.26 -0.89 135.00 138.66 2isa n PRO 320 Ca -0.11 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2isa n PRO 320 Cb 0.58 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2isa n PRO 320 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2isa n GLY 321 N 2.45 0.73 3.05 -1.23 0.00 -1.26 -3.41 105.19 105.50 2isa n GLY 321 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 2isa n GLY 321 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2isa s ILE 322 N -2.21 1.09 0.00 -0.61 1.01 -0.07 -1.37 121.20 119.04 2isa s ILE 322 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.15 2isa s ILE 322 Cb 0.00 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.50 2isa s ILE 322 CO 0.00 0.33 0.00 -0.24 0.00 0.00 0.00 174.94 175.03 2isa n SER 323 N 3.43 0.00 -0.59 3.58 2.88 -0.24 -4.08 113.62 118.60 2isa n SER 323 Ca -0.20 -0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.01 2isa n SER 323 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2isa n SER 323 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2isa n PHE 324 N 0.00 -0.57 -3.74 0.66 3.72 -1.26 -1.66 117.46 114.61 2isa n PHE 324 Ca 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 2isa n PHE 324 Cb 0.00 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.50 2isa n PHE 324 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2isa s SER 325 N -1.00 -0.24 0.00 4.37 1.04 -1.26 -2.67 113.70 113.95 2isa s SER 325 Ca 0.00 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.94 2isa s SER 325 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2isa s SER 325 CO 0.00 -1.01 0.54 -0.81 0.98 0.00 0.00 173.24 172.93 2isa n PRO 326 N -0.32 0.77 -1.62 4.02 -0.04 -1.26 -4.56 135.00 131.98 2isa n PRO 326 Ca -0.11 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.90 2isa n PRO 326 Cb 0.63 -1.23 -0.04 0.00 -0.04 0.00 0.00 33.50 32.82 2isa n PRO 326 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2isa n ASP 327 N -0.13 3.47 0.14 3.54 -0.08 -1.26 -4.82 116.55 117.41 2isa n ASP 327 Ca 0.00 0.63 0.04 0.00 -1.51 0.00 0.00 54.79 53.95 2isa n ASP 327 Cb 0.11 -1.47 0.47 0.00 2.34 0.00 0.00 41.12 42.57 2isa n ASP 327 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2isa h LYS 328 N 11.97 0.22 -0.48 -0.67 1.57 -1.81 0.27 116.57 127.64 2isa h LYS 328 Ca -0.44 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.26 2isa h LYS 328 Cb 1.26 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 2isa h LYS 328 CO 0.96 0.26 0.10 0.52 -0.57 0.00 0.00 179.45 180.72 2isa h MET 329 N 0.22 0.77 -0.48 3.15 2.86 -1.88 -1.44 114.93 118.13 2isa h MET 329 Ca 0.05 -0.19 -0.09 0.00 -2.06 0.00 0.00 59.70 57.41 2isa h MET 329 Cb 0.19 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 2isa h MET 329 CO 0.01 0.76 -0.05 1.25 1.06 0.00 0.00 176.91 179.94 2isa h LEU 330 N 0.65 0.87 -0.38 1.22 5.85 -1.60 -2.89 115.31 119.03 2isa h LEU 330 Ca 0.15 -0.33 0.08 0.00 0.84 0.00 0.00 57.88 58.61 2isa h LEU 330 Cb 0.35 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 2isa h LEU 330 CO 0.00 0.99 -0.10 1.56 -0.34 0.00 0.00 178.44 180.55 2isa h GLN 331 N 0.72 -0.01 -0.65 1.25 1.08 -0.79 -1.96 115.11 114.75 2isa h GLN 331 Ca 0.13 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.38 2isa h GLN 331 Cb 0.58 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.97 2isa h GLN 331 CO 0.03 -0.01 0.43 0.78 -0.95 0.00 0.00 178.83 179.12 2isa h GLY 332 N -0.01 0.86 2.00 3.46 0.00 -1.21 -1.65 103.07 106.51 2isa h GLY 332 Ca 0.18 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 2isa h GLY 332 CO -0.40 0.23 -0.19 3.21 0.00 0.00 0.00 176.54 179.39 2isa h ARG 333 N 0.72 0.00 0.00 4.80 3.08 -1.15 -2.40 114.38 119.43 2isa h ARG 333 Ca 0.27 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 2isa h ARG 333 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 2isa h ARG 333 CO -0.08 0.19 -0.05 -0.07 -1.07 0.00 0.00 179.97 178.89 2isa h LEU 334 N 0.00 0.00 0.00 3.04 3.38 -0.91 -3.02 115.31 117.79 2isa h LEU 334 Ca -0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 2isa h LEU 334 Cb 0.46 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2isa h LEU 334 CO 0.03 0.05 -1.44 0.33 0.09 0.00 0.00 178.44 177.50 2isa n PHE 335 N -3.51 0.78 -0.30 1.13 7.35 -0.93 -4.73 117.46 117.25 2isa n PHE 335 Ca -0.02 0.34 -0.02 0.00 -0.76 0.00 0.00 57.45 56.99 2isa n PHE 335 Cb 0.16 -1.03 0.15 0.00 0.35 0.00 0.00 39.48 39.11 2isa n PHE 335 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2isa h ALA 336 N -0.66 1.29 0.22 3.13 0.00 -1.35 -3.02 119.26 118.86 2isa h ALA 336 Ca -0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2isa h ALA 336 Cb 1.28 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2isa h ALA 336 CO -0.23 0.61 -0.10 1.88 0.00 0.00 0.00 179.25 181.41 2isa h TYR 337 N 1.19 -0.27 -0.91 0.00 -1.99 -1.84 0.19 116.97 113.34 2isa h TYR 337 Ca 0.31 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 61.10 2isa h TYR 337 Cb -0.05 0.09 -0.06 0.00 2.00 0.00 0.00 36.73 38.71 2isa h TYR 337 CO 0.00 0.12 0.59 0.78 -0.00 0.00 0.00 178.16 179.66 2isa h GLY 338 N -0.82 1.33 0.94 3.88 0.00 -1.86 0.25 103.07 106.80 2isa h GLY 338 Ca -0.03 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 2isa h GLY 338 CO 0.05 0.29 -0.26 -1.80 0.00 0.00 0.00 176.54 174.82 2isa h ASP 339 N 1.02 -0.62 -1.00 0.19 3.58 -1.44 -1.04 116.42 117.12 2isa h ASP 339 Ca 0.39 -0.01 0.11 0.00 0.42 0.00 0.00 57.03 57.95 2isa h ASP 339 Cb 0.21 0.16 -0.08 0.00 1.72 0.00 0.00 39.33 41.34 2isa h ASP 339 CO -0.15 -0.40 0.63 0.00 -2.88 0.00 0.00 179.24 176.45 2isa h ALA 340 N -0.37 1.51 -0.10 -0.78 0.00 -0.30 -2.84 119.26 116.38 2isa h ALA 340 Ca -0.07 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 2isa h ALA 340 Cb 0.59 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.16 2isa h ALA 340 CO 0.12 0.26 -0.84 1.96 0.00 0.00 0.00 179.25 180.75 2isa h GLN 341 N 1.02 0.72 -0.79 0.00 4.20 -0.37 -0.15 115.11 119.74 2isa h GLN 341 Ca 0.48 -0.64 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 2isa h GLN 341 Cb 0.43 0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 2isa h GLN 341 CO -0.24 1.24 0.37 0.00 -0.67 0.00 0.00 178.83 179.53 2isa h ARG 342 N 0.47 1.13 0.21 1.46 3.08 -1.14 0.27 114.38 119.86 2isa h ARG 342 Ca -0.07 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 2isa h ARG 342 Cb 1.47 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2isa h ARG 342 CO 0.17 0.88 -0.10 -0.92 -1.07 0.00 0.00 179.97 178.93 2isa h TYR 343 N 1.12 -0.26 -0.42 3.04 3.20 -1.46 -1.54 116.97 120.65 2isa h TYR 343 Ca 0.27 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.07 2isa h TYR 343 Cb 0.13 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 2isa h TYR 343 CO 0.01 -0.00 0.01 -0.09 -1.64 0.00 0.00 178.16 176.45 2isa h ARG 344 N -0.50 0.74 -0.00 1.82 2.43 -0.80 -3.36 114.38 114.70 2isa h ARG 344 Ca -0.03 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 2isa h ARG 344 Cb 0.38 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2isa h ARG 344 CO 0.05 0.81 -0.23 1.28 -1.51 0.00 0.00 179.97 180.36 2isa n LEU 345 N -4.43 0.78 0.00 3.80 4.77 0.92 -4.54 117.00 118.31 2isa n LEU 345 Ca -0.00 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 2isa n LEU 345 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2isa n LEU 345 CO 0.41 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2isa n GLY 346 N 0.95 1.10 0.36 -0.72 0.00 -0.58 -4.40 105.19 101.90 2isa n GLY 346 Ca 0.02 -1.65 0.14 0.00 0.00 0.00 0.00 46.02 44.53 2isa n GLY 346 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2isa h VAL 347 N 0.00 0.85 -0.63 1.61 3.04 -1.87 -2.49 116.25 116.76 2isa h VAL 347 Ca 0.00 -0.12 -0.13 0.00 -1.01 0.00 0.00 66.70 65.44 2isa h VAL 347 Cb 0.00 0.48 -0.08 0.00 -2.01 0.00 0.00 31.29 29.68 2isa h VAL 347 CO 0.00 0.06 0.17 0.59 -1.01 0.00 0.00 177.57 177.38 2isa n ASN 348 N -4.46 4.84 0.27 3.17 3.02 -1.26 -4.58 115.26 116.25 2isa n ASN 348 Ca 0.10 -3.01 0.16 0.00 -0.03 0.00 0.00 54.58 51.80 2isa n ASN 348 Cb 0.43 -0.71 0.87 0.00 -0.61 0.00 0.00 39.78 39.76 2isa n ASN 348 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 2isa h HIS 349 N 2.85 0.00 0.00 3.10 2.07 -1.65 -0.70 115.15 120.82 2isa h HIS 349 Ca 0.16 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.68 2isa h HIS 349 Cb 2.09 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.07 2isa h HIS 349 CO 1.12 0.00 0.00 1.04 -3.07 0.00 0.00 177.93 177.02 2isa n GLN 350 N -2.70 0.61 0.00 5.12 6.02 -1.26 -1.59 117.38 123.58 2isa n GLN 350 Ca -0.02 0.02 0.13 0.00 -0.01 0.00 0.00 57.00 57.12 2isa n GLN 350 Cb 0.15 -1.50 0.41 0.00 1.02 0.00 0.00 30.24 30.33 2isa n GLN 350 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2isa n HIS 351 N -1.14 0.00 -2.08 1.08 8.25 -0.27 -3.34 115.22 117.72 2isa n HIS 351 Ca 0.16 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.20 2isa n HIS 351 Cb 0.15 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 2isa n HIS 351 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2isa s ILE 352 N -2.58 3.32 0.30 1.59 1.01 -0.62 -4.88 121.20 119.33 2isa s ILE 352 Ca 0.23 0.79 0.02 0.00 0.00 0.00 0.00 60.65 61.69 2isa s ILE 352 Cb 0.19 -3.51 0.34 0.00 0.01 0.00 0.00 42.46 39.50 2isa s ILE 352 CO 0.54 0.01 1.61 -0.65 0.00 0.00 0.00 174.94 176.45 2isa h PRO 353 N 7.81 0.11 -0.09 2.79 0.11 -1.88 0.12 132.00 140.97 2isa h PRO 353 Ca -0.41 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.68 2isa h PRO 353 Cb 1.19 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2isa h PRO 353 CO 0.91 0.07 -0.01 -0.24 -0.21 0.00 0.00 178.00 178.52 2isa h VAL 354 N 0.11 1.07 0.00 3.15 3.04 -1.89 -2.75 116.25 118.98 2isa h VAL 354 Ca 0.57 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.98 2isa h VAL 354 Cb 1.19 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.49 2isa h VAL 354 CO -0.76 0.09 -0.65 0.59 -1.01 0.00 0.00 177.57 175.83 2isa n ASN 355 N -4.44 0.63 -4.77 3.17 3.02 -0.01 -4.95 115.26 107.91 2isa n ASN 355 Ca -0.02 -0.42 -0.38 0.00 -0.03 0.00 0.00 54.58 53.74 2isa n ASN 355 Cb 0.14 0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 39.75 2isa n ASN 355 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2isa s ALA 356 N -3.01 3.18 0.66 5.41 0.00 -0.99 -4.86 121.76 122.15 2isa s ALA 356 Ca 0.10 0.91 -0.14 0.00 0.00 0.00 0.00 51.96 52.83 2isa s ALA 356 Cb 0.17 -3.35 -0.00 0.00 0.00 0.00 0.00 23.12 19.93 2isa s ALA 356 CO 0.75 -0.42 1.08 -1.25 0.00 0.00 0.00 175.76 175.92 2isa s PRO 357 N -2.21 2.92 -0.46 0.00 0.04 -1.26 -4.97 135.00 129.06 2isa s PRO 357 Ca 0.55 1.22 0.04 0.00 0.04 0.00 0.00 61.00 62.85 2isa s PRO 357 Cb -0.29 -1.98 0.44 0.00 0.04 0.00 0.00 34.50 32.71 2isa s PRO 357 CO 0.37 -1.13 1.48 0.54 0.04 0.00 0.00 177.00 178.29 2isa n ARG 358 N -2.57 3.27 -4.05 4.56 1.74 -1.26 -4.99 116.66 113.37 2isa n ARG 358 Ca 0.09 -3.93 -0.12 0.00 -0.77 0.00 0.00 57.85 53.13 2isa n ARG 358 Cb 0.53 -2.28 -0.05 0.00 -1.02 0.00 0.00 32.46 29.64 2isa n ARG 358 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2isa n PRO 360 N -0.46 2.52 -4.30 0.00 -0.02 -1.26 -4.99 135.00 126.49 2isa n PRO 360 Ca -0.01 0.91 -0.19 0.00 -2.02 0.00 0.00 63.50 62.19 2isa n PRO 360 Cb 0.62 -2.73 -0.15 0.00 -0.02 0.00 0.00 33.50 31.22 2isa n PRO 360 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2isa s VAL 361 N 1.13 0.65 -0.46 -1.45 0.11 -1.26 -4.92 120.40 114.21 2isa s VAL 361 Ca 0.77 -0.30 0.06 0.00 -2.93 0.00 0.00 61.98 59.58 2isa s VAL 361 Cb -0.58 -0.59 0.18 0.00 -1.53 0.00 0.00 36.38 33.87 2isa s VAL 361 CO 0.35 0.21 0.58 -2.28 -3.33 0.00 0.00 175.10 170.63 2isa s HIS 362 N 0.18 -0.86 -2.49 1.54 5.04 -1.26 -5.05 115.29 112.39 2isa s HIS 362 Ca -0.02 -0.87 0.24 0.00 -1.54 0.00 0.00 55.06 52.87 2isa s HIS 362 Cb -0.07 -0.05 0.25 0.00 0.04 0.00 0.00 32.58 32.74 2isa s HIS 362 CO 0.00 -1.12 1.27 -1.13 -2.34 0.00 0.00 174.74 171.42 2isa n SER 363 N 3.32 2.33 0.00 9.88 3.41 -1.26 -4.98 113.62 126.32 2isa n SER 363 Ca 0.19 -1.68 0.00 0.00 -0.26 0.00 0.00 58.87 57.12 2isa n SER 363 Cb 0.53 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 2isa n SER 363 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2isa n TYR 364 N 0.56 0.00 -1.68 7.33 9.36 -1.26 -4.96 117.16 126.51 2isa n TYR 364 Ca 0.13 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.91 2isa n TYR 364 Cb 0.51 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.20 2isa n TYR 364 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2isa n HIS 365 N 0.00 2.16 -4.35 2.98 -0.00 -1.26 -4.98 115.22 109.77 2isa n HIS 365 Ca 0.00 0.53 -0.25 0.00 -0.00 0.00 0.00 57.72 58.01 2isa n HIS 365 Cb 0.00 -2.41 -0.09 0.00 -0.00 0.00 0.00 29.99 27.49 2isa n HIS 365 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2isa s ARG 366 N -1.46 2.00 6.09 -0.41 1.81 -1.26 -4.99 118.95 120.72 2isa s ARG 366 Ca 0.59 -1.46 0.00 0.00 -1.72 0.00 0.00 55.73 53.14 2isa s ARG 366 Cb -0.60 -2.04 0.00 0.00 -0.45 0.00 0.00 34.95 31.86 2isa s ARG 366 CO 0.59 0.38 0.00 -0.25 -0.68 0.00 0.00 175.30 175.34 2isa n ASP 367 N -0.41 0.00 -0.19 0.23 8.00 -1.26 -5.03 116.55 117.89 2isa n ASP 367 Ca -0.08 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.44 2isa n ASP 367 Cb 0.58 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.67 2isa n ASP 367 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2isa n GLY 368 N 0.00 -2.55 3.76 0.44 0.00 -1.26 -4.80 105.19 100.78 2isa n GLY 368 Ca 0.00 -1.41 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 2isa n GLY 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2isa s ALA 369 N -2.92 2.89 -1.14 4.61 0.00 -1.26 -3.85 121.76 120.08 2isa s ALA 369 Ca 0.00 1.24 -0.17 0.00 0.00 0.00 0.00 51.96 53.03 2isa s ALA 369 Cb 0.00 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 2isa s ALA 369 CO 0.00 -1.18 0.79 -1.33 0.00 0.00 0.00 175.76 174.05 2isa n MET 370 N -0.82 -1.65 -3.06 0.00 2.81 -1.26 -4.47 117.12 108.67 2isa n MET 370 Ca 0.09 0.52 -0.43 0.00 -1.81 0.00 0.00 57.70 56.07 2isa n MET 370 Cb 0.45 -4.44 -0.06 0.00 -0.71 0.00 0.00 33.22 28.47 2isa n MET 370 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 2isa s ARG 371 N -5.78 3.25 0.00 0.03 6.06 -1.25 -4.88 118.95 116.38 2isa s ARG 371 Ca 0.43 -0.50 0.04 0.00 -2.50 0.00 0.00 55.73 53.20 2isa s ARG 371 Cb -0.14 -4.02 -0.03 0.00 0.06 0.00 0.00 34.95 30.82 2isa s ARG 371 CO 0.84 -1.19 0.28 1.33 -2.50 0.00 0.00 175.30 174.06 2isa n VAL 372 N 5.87 0.00 1.37 7.11 0.24 -1.26 -4.68 118.33 126.98 2isa n VAL 372 Ca -0.02 -0.42 0.11 0.00 -2.04 0.00 0.00 64.34 61.97 2isa n VAL 372 Cb 0.47 1.02 0.44 0.00 -1.47 0.00 0.00 33.84 34.30 2isa n VAL 372 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2isa n ASP 373 N -0.80 1.46 0.00 -1.34 5.75 -1.26 -4.90 116.55 115.45 2isa n ASP 373 Ca 0.01 -1.62 0.00 0.00 -0.01 0.00 0.00 54.79 53.17 2isa n ASP 373 Cb 0.08 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 2isa n ASP 373 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2isa n GLY 374 N 1.11 1.52 2.71 6.12 0.00 -1.26 -4.58 105.19 110.81 2isa n GLY 374 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 2isa n GLY 374 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2isa n ASN 375 N 0.00 -5.94 -1.64 1.61 5.15 -1.26 -1.16 115.26 112.03 2isa n ASN 375 Ca 0.00 -0.15 -0.20 0.00 -0.60 0.00 0.00 54.58 53.64 2isa n ASN 375 Cb 0.00 -4.87 -0.07 0.00 -0.53 0.00 0.00 39.78 34.30 2isa n ASN 375 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2isa n PHE 376 N -4.23 -0.14 0.00 1.20 3.01 -1.26 -4.82 117.46 111.21 2isa n PHE 376 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.28 2isa n PHE 376 Cb 0.65 -3.42 0.00 0.00 -0.01 0.00 0.00 39.48 36.71 2isa n PHE 376 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2isa n GLY 377 N -0.60 3.02 0.18 1.37 0.00 -0.31 -1.83 105.19 107.02 2isa n GLY 377 Ca -0.20 0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.01 2isa n GLY 377 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2isa n SER 378 N 3.25 0.60 -4.60 1.61 7.64 -1.26 -4.94 113.62 115.92 2isa n SER 378 Ca 0.00 -0.99 -0.51 0.00 1.01 0.00 0.00 58.87 58.39 2isa n SER 378 Cb 0.00 -0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.12 2isa n SER 378 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2isa n THR 379 N -0.65 0.09 -1.19 0.44 -1.04 -0.76 -4.92 114.28 106.25 2isa n THR 379 Ca 0.19 -0.02 -0.34 0.00 -2.04 0.00 0.00 64.05 61.84 2isa n THR 379 Cb 0.24 -0.94 0.12 0.00 -1.82 0.00 0.00 70.33 67.93 2isa n THR 379 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2isa n LEU 380 N 2.61 4.29 -0.48 -4.42 -0.00 -1.26 -4.98 117.00 112.77 2isa n LEU 380 Ca 0.18 0.61 0.05 0.00 -0.00 0.00 0.00 56.01 56.85 2isa n LEU 380 Cb 0.21 -1.49 0.12 0.00 -0.00 0.00 0.00 43.42 42.26 2isa n LEU 380 CO 0.62 -1.74 0.60 0.61 -0.00 0.00 0.00 177.39 177.48 2isa n GLY 381 N 0.69 3.00 3.27 1.47 0.00 -1.26 -5.01 105.19 107.34 2isa n GLY 381 Ca 0.13 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 2isa n GLY 381 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2isa s TYR 382 N -1.21 1.83 -0.02 1.61 1.13 -1.26 -5.09 117.35 114.34 2isa s TYR 382 Ca 0.19 -0.39 -0.01 0.00 -1.41 0.00 0.00 57.07 55.45 2isa s TYR 382 Cb 0.11 -1.07 0.01 0.00 -1.10 0.00 0.00 41.96 39.92 2isa s TYR 382 CO 0.11 0.13 0.05 -2.00 -2.51 0.00 0.00 175.55 171.33 2isa s GLU 383 N -1.40 0.03 0.68 -3.49 -6.30 -1.26 -4.26 118.70 102.70 2isa s GLU 383 Ca 0.07 0.12 -0.16 0.00 -2.50 0.00 0.00 54.97 52.51 2isa s GLU 383 Cb -0.09 -0.07 0.01 0.00 0.00 0.00 0.00 34.13 33.98 2isa s GLU 383 CO 0.03 -0.06 1.17 -1.25 0.02 0.00 0.00 175.26 175.16 2isa s PRO 384 N 0.42 2.50 0.19 4.30 0.04 -1.26 -5.20 135.00 135.99 2isa s PRO 384 Ca -0.03 1.65 -0.14 0.00 0.04 0.00 0.00 61.00 62.51 2isa s PRO 384 Cb -0.05 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.61 2isa s PRO 384 CO -0.01 -1.54 0.43 0.54 0.04 0.00 0.00 177.00 176.46 2isa s ASN 385 N -2.14 -0.13 0.00 6.66 2.20 -1.26 -5.06 114.94 115.21 2isa s ASN 385 Ca 0.72 -0.69 0.14 0.00 -0.94 0.00 0.00 52.86 52.10 2isa s ASN 385 Cb -0.26 0.53 0.50 0.00 -2.00 0.00 0.00 41.25 40.01 2isa s ASN 385 CO 0.42 -1.01 1.37 -0.90 -2.94 0.00 0.00 177.10 174.04 2isa n ASP 386 N -0.30 1.50 -0.42 3.54 5.75 -1.26 -3.53 116.55 121.82 2isa n ASP 386 Ca -0.08 -1.85 0.09 0.00 -0.01 0.00 0.00 54.79 52.94 2isa n ASP 386 Cb 0.62 -0.15 -0.01 0.00 -1.03 0.00 0.00 41.12 40.56 2isa n ASP 386 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2isa n GLN 387 N 0.27 1.43 -1.36 0.11 6.02 -1.26 -4.97 117.38 117.61 2isa n GLN 387 Ca 0.12 -0.88 -0.13 0.00 -0.01 0.00 0.00 57.00 56.11 2isa n GLN 387 Cb 0.26 -1.38 -0.05 0.00 1.02 0.00 0.00 30.24 30.09 2isa n GLN 387 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2isa n GLY 388 N 1.29 1.34 3.81 1.08 0.00 -1.23 -4.99 105.19 106.49 2isa n GLY 388 Ca 0.08 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 2isa n GLY 388 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2isa s GLN 389 N -3.03 4.23 -1.40 1.61 2.00 -1.26 -3.83 119.66 117.98 2isa s GLN 389 Ca 0.00 1.21 -0.09 0.00 -2.00 0.00 0.00 55.36 54.48 2isa s GLN 389 Cb 0.00 -2.30 0.03 0.00 0.80 0.00 0.00 33.01 31.54 2isa s GLN 389 CO 0.00 -0.03 1.08 0.91 -0.50 0.00 0.00 175.29 176.75 2isa n TRP 390 N -0.43 -2.59 -2.18 1.67 7.02 -1.26 -4.77 117.44 114.90 2isa n TRP 390 Ca 0.06 0.97 -0.42 0.00 -1.02 0.00 0.00 57.50 57.09 2isa n TRP 390 Cb 0.53 -4.66 -0.03 0.00 -2.42 0.00 0.00 31.31 24.73 2isa n TRP 390 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2isa s ALA 391 N -3.34 3.59 0.88 6.99 0.00 -1.25 -5.00 121.76 123.64 2isa s ALA 391 Ca 0.53 0.93 -0.11 0.00 0.00 0.00 0.00 51.96 53.32 2isa s ALA 391 Cb -0.25 -3.61 0.12 0.00 0.00 0.00 0.00 23.12 19.39 2isa s ALA 391 CO 0.77 -0.93 1.10 -1.83 0.00 0.00 0.00 175.76 174.87 2isa s GLU 392 N 2.39 1.33 -0.72 0.00 -1.05 -1.26 -5.01 118.70 114.38 2isa s GLU 392 Ca 0.65 1.16 0.04 0.00 -0.15 0.00 0.00 54.97 56.68 2isa s GLU 392 Cb -0.33 -1.79 0.20 0.00 -0.44 0.00 0.00 34.13 31.77 2isa s GLU 392 CO 0.27 -2.29 0.63 1.04 0.95 0.00 0.00 175.26 175.87 2isa n GLN 393 N -3.96 2.21 0.30 -4.83 6.02 -1.26 -4.95 117.38 110.91 2isa n GLN 393 Ca 0.09 -4.55 0.17 0.00 -0.01 0.00 0.00 57.00 52.70 2isa n GLN 393 Cb 0.53 -2.30 0.95 0.00 1.02 0.00 0.00 30.24 30.44 2isa n GLN 393 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2isa h PRO 394 N 5.11 0.00 -0.06 -1.09 0.13 -2.01 -1.40 132.00 132.68 2isa h PRO 394 Ca 0.17 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.31 2isa h PRO 394 Cb 0.73 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 2isa h PRO 394 CO 0.79 0.03 0.08 -0.44 -0.23 0.00 0.00 178.00 178.22 2isa h ASP 395 N 0.00 0.00 -0.33 1.44 3.32 -2.05 -1.84 116.42 116.96 2isa h ASP 395 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2isa h ASP 395 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2isa h ASP 395 CO 0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 2isa n PHE 396 N -3.67 0.44 -1.77 4.55 3.72 -0.53 -4.97 117.46 115.23 2isa n PHE 396 Ca -0.02 -0.22 -0.41 0.00 -0.05 0.00 0.00 57.45 56.75 2isa n PHE 396 Cb 0.17 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.69 2isa n PHE 396 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2isa s SER 397 N -1.29 6.35 0.47 4.37 0.15 -0.70 -5.00 113.70 118.06 2isa s SER 397 Ca 0.32 2.98 -0.13 0.00 0.70 0.00 0.00 55.95 59.82 2isa s SER 397 Cb 0.17 -2.64 -0.07 0.00 -1.71 0.00 0.00 66.02 61.78 2isa s SER 397 CO 0.24 -0.92 0.89 -1.61 1.20 0.00 0.00 173.24 173.04 2isa s GLU 398 N -0.69 3.84 0.63 5.44 2.02 -1.26 -5.06 118.70 123.63 2isa s GLU 398 Ca 0.62 0.71 -0.16 0.00 0.02 0.00 0.00 54.97 56.16 2isa s GLU 398 Cb -0.48 -2.25 -0.01 0.00 0.10 0.00 0.00 34.13 31.49 2isa s GLU 398 CO 0.50 -0.18 1.13 -1.25 0.02 0.00 0.00 175.26 175.47 2isa s PRO 399 N -4.05 2.89 0.74 0.39 0.04 -1.26 -5.00 135.00 128.75 2isa s PRO 399 Ca 0.55 1.48 -0.15 0.00 0.04 0.00 0.00 61.00 62.92 2isa s PRO 399 Cb -0.10 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.53 2isa s PRO 399 CO 0.33 -1.20 1.24 -2.14 0.04 0.00 0.00 177.00 175.26 2isa s PRO 400 N -3.87 2.05 -0.23 0.56 0.02 -1.26 -5.02 135.00 127.26 2isa s PRO 400 Ca 0.69 1.86 -0.06 0.00 0.02 0.00 0.00 61.00 63.51 2isa s PRO 400 Cb -0.22 -1.81 -0.03 0.00 0.02 0.00 0.00 34.50 32.46 2isa s PRO 400 CO 0.38 -1.93 0.04 -1.17 -0.33 0.00 0.00 177.00 174.00 2isa s LEU 401 N -5.14 3.37 0.39 -5.54 2.96 -1.26 -5.09 118.68 108.37 2isa s LEU 401 Ca 0.77 -0.20 -0.27 0.00 -0.22 0.00 0.00 54.13 54.20 2isa s LEU 401 Cb -0.32 -1.89 -0.10 0.00 0.50 0.00 0.00 46.19 44.39 2isa s LEU 401 CO 0.46 0.00 1.42 0.20 -1.32 0.00 0.00 176.35 177.11 2isa s ASN 402 N 1.38 6.32 0.19 3.68 0.02 -1.26 -5.03 114.94 120.25 2isa s ASN 402 Ca 0.05 2.92 0.09 0.00 -1.02 0.00 0.00 52.86 54.90 2isa s ASN 402 Cb -0.15 -2.66 -0.04 0.00 0.02 0.00 0.00 41.25 38.42 2isa s ASN 402 CO 0.02 -0.87 -0.19 -0.76 0.02 0.00 0.00 177.10 175.33 2isa s LEU 403 N -2.20 2.48 -0.25 0.60 1.02 -1.26 -5.15 118.68 113.92 2isa s LEU 403 Ca 0.54 -0.91 -0.12 0.00 0.02 0.00 0.00 54.13 53.66 2isa s LEU 403 Cb -0.44 -0.89 0.09 0.00 0.02 0.00 0.00 46.19 44.97 2isa s LEU 403 CO 0.59 -0.02 0.58 -0.62 0.02 0.00 0.00 176.35 176.89 2isa s ASP 404 N -2.88 -0.80 0.00 2.29 -1.08 -1.26 -5.16 116.67 107.79 2isa s ASP 404 Ca 0.19 1.31 0.00 0.00 -0.52 0.00 0.00 52.55 53.54 2isa s ASP 404 Cb -0.05 1.40 0.00 0.00 -1.46 0.00 0.00 42.92 42.81 2isa s ASP 404 CO 0.08 -0.22 0.00 0.61 0.52 0.00 0.00 175.17 176.16 2isa n GLY 405 N 4.65 2.58 3.81 2.66 0.00 -1.26 -5.08 105.19 112.55 2isa n GLY 405 Ca -0.18 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.53 2isa n GLY 405 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2isa s ALA 406 N -2.69 2.75 -0.05 4.61 0.00 -1.26 -4.99 121.76 120.13 2isa s ALA 406 Ca 0.00 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 2isa s ALA 406 Cb 0.00 -3.22 -0.06 0.00 0.00 0.00 0.00 23.12 19.84 2isa s ALA 406 CO 0.00 -0.83 1.81 0.00 0.00 0.00 0.00 175.76 176.74 2isa s ALA 407 N -2.53 3.50 0.09 0.00 0.00 -1.26 -4.95 121.76 116.61 2isa s ALA 407 Ca 0.63 1.02 -0.26 0.00 0.00 0.00 0.00 51.96 53.34 2isa s ALA 407 Cb -0.15 -3.82 0.08 0.00 0.00 0.00 0.00 23.12 19.22 2isa s ALA 407 CO 0.39 -1.63 0.85 0.00 0.00 0.00 0.00 175.76 175.37 2isa s ALA 408 N 4.65 -1.69 -1.19 0.00 0.00 -1.26 -5.07 121.76 117.20 2isa s ALA 408 Ca 0.81 0.55 -0.15 0.00 0.00 0.00 0.00 51.96 53.17 2isa s ALA 408 Cb -0.36 0.59 0.16 0.00 0.00 0.00 0.00 23.12 23.51 2isa s ALA 408 CO 0.34 -0.84 1.43 -1.01 0.00 0.00 0.00 175.76 175.68 2isa s HIS 409 N -3.33 3.42 0.12 0.00 3.76 -1.26 -5.01 115.29 112.99 2isa s HIS 409 Ca 0.07 -2.03 -0.31 0.00 -0.15 0.00 0.00 55.06 52.64 2isa s HIS 409 Cb -0.01 -4.34 -0.08 0.00 1.11 0.00 0.00 32.58 29.25 2isa s HIS 409 CO -0.05 -1.43 1.41 -1.58 -0.85 0.00 0.00 174.74 172.24 2isa s TRP 410 N 1.86 3.22 -0.27 1.40 0.52 -1.26 -4.94 118.94 119.47 2isa s TRP 410 Ca 0.42 0.91 -0.29 0.00 0.02 0.00 0.00 56.10 57.16 2isa s TRP 410 Cb -0.03 -3.72 0.00 0.00 -1.15 0.00 0.00 33.47 28.58 2isa s TRP 410 CO -0.00 -2.52 1.23 0.34 0.02 0.00 0.00 176.95 176.02 2isa s ASP 411 N 1.11 6.81 0.49 2.95 2.15 -1.26 -4.89 116.67 124.03 2isa s ASP 411 Ca 0.65 1.31 0.31 0.00 0.43 0.00 0.00 52.55 55.25 2isa s ASP 411 Cb -0.38 -2.54 1.25 0.00 -0.30 0.00 0.00 42.92 40.95 2isa s ASP 411 CO 0.30 -0.94 1.92 1.12 -0.17 0.00 0.00 175.17 177.40 2isa h HIS 412 N 8.69 0.00 0.00 -5.34 2.07 -1.97 -2.80 115.15 115.80 2isa h HIS 412 Ca -0.25 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.27 2isa h HIS 412 Cb 1.09 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.07 2isa h HIS 412 CO 0.84 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 176.24 2isa n ARG 413 N -2.92 0.51 -0.02 5.12 1.74 -1.26 -1.86 116.66 117.97 2isa n ARG 413 Ca 0.01 0.02 0.11 0.00 -0.77 0.00 0.00 57.85 57.22 2isa n ARG 413 Cb 0.30 -1.50 0.53 0.00 -1.02 0.00 0.00 32.46 30.77 2isa n ARG 413 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2isa h GLU 414 N 0.00 0.32 -4.77 5.56 4.81 -1.91 -3.34 114.58 115.25 2isa h GLU 414 Ca 0.00 -0.02 -0.70 0.00 -0.13 0.00 0.00 59.36 58.51 2isa h GLU 414 Cb 0.03 -0.07 -0.19 0.00 0.63 0.00 0.00 28.75 29.14 2isa h GLU 414 CO 0.00 0.21 0.06 0.34 -0.73 0.00 0.00 179.01 178.89 2isa s ASP 415 N -6.42 6.20 -0.10 1.04 -1.08 -0.78 -4.91 116.67 110.61 2isa s ASP 415 Ca -0.07 -1.22 0.17 0.00 -0.52 0.00 0.00 52.55 50.90 2isa s ASP 415 Cb 0.19 -2.29 0.66 0.00 -1.46 0.00 0.00 42.92 40.02 2isa s ASP 415 CO 0.73 -0.99 1.55 -0.62 0.52 0.00 0.00 175.17 176.36 2isa n GLU 416 N 6.18 3.49 -1.89 4.34 1.02 -1.26 -4.74 120.64 127.80 2isa n GLU 416 Ca -0.09 -2.60 -0.34 0.00 -0.02 0.00 0.00 57.16 54.11 2isa n GLU 416 Cb 0.44 -1.84 -0.05 0.00 -0.02 0.00 0.00 31.44 29.96 2isa n GLU 416 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2isa n ASP 417 N 1.01 3.20 0.02 1.62 2.03 -1.26 -4.58 116.55 118.60 2isa n ASP 417 Ca 0.23 -2.73 0.04 0.00 0.52 0.00 0.00 54.79 52.86 2isa n ASP 417 Cb 0.82 -1.58 -0.09 0.00 -0.72 0.00 0.00 41.12 39.55 2isa n ASP 417 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2isa n TYR 418 N 11.61 0.64 0.06 -0.67 4.01 -1.26 -4.69 117.16 126.85 2isa n TYR 418 Ca 0.47 0.20 0.03 0.00 -0.16 0.00 0.00 57.90 58.44 2isa n TYR 418 Cb 0.45 -0.91 -0.04 0.00 -0.31 0.00 0.00 39.34 38.53 2isa n TYR 418 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2isa n PHE 419 N -2.68 0.00 -0.10 -0.72 3.72 -1.26 -4.65 117.46 111.78 2isa n PHE 419 Ca -0.09 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.19 2isa n PHE 419 Cb 0.75 -0.09 -0.04 0.00 -0.94 0.00 0.00 39.48 39.16 2isa n PHE 419 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2isa h SER 420 N 0.00 0.62 -0.16 4.37 4.64 -1.89 -1.28 113.55 119.85 2isa h SER 420 Ca 0.00 -0.41 -0.18 0.00 -0.47 0.00 0.00 61.79 60.73 2isa h SER 420 Cb 0.21 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2isa h SER 420 CO 0.00 0.89 -0.55 1.56 -0.87 0.00 0.00 176.83 177.86 2isa h GLN 421 N 0.35 0.75 -0.75 4.77 4.20 -1.90 -0.48 115.11 122.05 2isa h GLN 421 Ca 0.06 -0.48 0.04 0.00 0.06 0.00 0.00 58.65 58.33 2isa h GLN 421 Cb 0.66 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.45 2isa h GLN 421 CO 0.04 1.10 0.46 -1.35 -0.67 0.00 0.00 178.83 178.42 2isa h PRO 422 N 0.58 0.86 -0.82 1.46 0.11 -1.83 -1.51 132.00 130.86 2isa h PRO 422 Ca 0.01 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 2isa h PRO 422 Cb 1.13 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.01 2isa h PRO 422 CO 0.12 0.57 0.46 0.78 -0.21 0.00 0.00 178.00 179.72 2isa h GLY 423 N 0.89 1.21 1.00 -0.55 0.00 -1.04 -1.51 103.07 103.08 2isa h GLY 423 Ca 0.31 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2isa h GLY 423 CO -0.13 0.51 0.20 -0.55 0.00 0.00 0.00 176.54 176.58 2isa h ASP 424 N 1.13 0.35 -0.39 0.19 3.32 -0.94 -1.50 116.42 118.58 2isa h ASP 424 Ca 0.29 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 2isa h ASP 424 Cb 0.01 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2isa h ASP 424 CO -0.05 0.26 0.23 0.25 -1.72 0.00 0.00 179.24 178.21 2isa h LEU 425 N 0.41 0.47 -0.64 1.55 5.85 -0.93 -2.27 115.31 119.75 2isa h LEU 425 Ca 0.11 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.82 2isa h LEU 425 Cb -0.04 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 2isa h LEU 425 CO -0.02 0.39 0.37 0.15 -0.34 0.00 0.00 178.44 178.98 2isa h PHE 426 N 0.51 0.68 -0.02 1.25 3.57 -1.28 -2.56 116.94 119.10 2isa h PHE 426 Ca 0.14 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.67 2isa h PHE 426 Cb 0.01 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.53 2isa h PHE 426 CO -0.04 0.35 0.02 0.78 -2.23 0.00 0.00 178.31 177.20 2isa h GLY 427 N 0.70 0.00 1.26 2.40 0.00 -0.71 -1.84 103.07 104.88 2isa h GLY 427 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2isa h GLY 427 CO -0.15 0.00 -0.32 1.04 0.00 0.00 0.00 176.54 177.11 2isa n LEU 428 N -3.68 0.37 -4.76 3.11 7.99 -0.97 -4.90 117.00 114.17 2isa n LEU 428 Ca -0.03 0.14 -0.40 0.00 -0.01 0.00 0.00 56.01 55.72 2isa n LEU 428 Cb 0.11 -0.32 -0.06 0.00 -0.11 0.00 0.00 43.42 43.05 2isa n LEU 428 CO 0.26 0.09 0.54 -0.04 -1.51 0.00 0.00 177.39 176.72 2isa s MET 429 N -2.96 4.63 0.96 3.23 -1.94 -0.69 -5.06 119.30 117.47 2isa s MET 429 Ca 0.13 1.25 -0.11 0.00 -1.71 0.00 0.00 55.69 55.25 2isa s MET 429 Cb 0.18 -3.30 0.16 0.00 2.01 0.00 0.00 34.83 33.87 2isa s MET 429 CO 0.63 0.45 1.05 0.25 -0.01 0.00 0.00 175.02 177.39 2isa n THR 430 N 2.01 0.00 -0.36 2.05 -2.24 -1.26 -4.75 114.28 109.73 2isa n THR 430 Ca -0.03 -0.08 0.08 0.00 -2.27 0.00 0.00 64.05 61.75 2isa n THR 430 Cb 0.49 -0.96 0.25 0.00 -2.10 0.00 0.00 70.33 68.01 2isa n THR 430 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2isa h ALA 431 N -1.98 1.54 -0.32 6.98 0.00 -1.98 -0.70 119.26 122.80 2isa h ALA 431 Ca -0.46 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2isa h ALA 431 Cb 1.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2isa h ALA 431 CO 0.41 0.20 0.08 1.49 0.00 0.00 0.00 179.25 181.43 2isa h GLU 432 N 0.97 0.52 -0.36 0.00 4.57 -1.99 -1.09 114.58 117.19 2isa h GLU 432 Ca 0.51 -0.12 -0.08 0.00 -1.18 0.00 0.00 59.36 58.49 2isa h GLU 432 Cb 0.54 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 2isa h GLU 432 CO -0.28 0.58 -0.10 0.87 -1.18 0.00 0.00 179.01 178.90 2isa h LYS 433 N 0.36 0.62 -0.31 1.92 1.57 -1.78 -1.29 116.57 117.66 2isa h LYS 433 Ca 0.10 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2isa h LYS 433 Cb 0.29 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2isa h LYS 433 CO 0.00 0.71 0.13 1.96 -0.57 0.00 0.00 179.45 181.68 2isa h GLN 434 N 0.57 0.45 -0.93 3.15 4.20 -1.04 -1.85 115.11 119.67 2isa h GLN 434 Ca 0.10 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.79 2isa h GLN 434 Cb 0.51 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.15 2isa h GLN 434 CO 0.03 0.44 0.60 0.00 -0.67 0.00 0.00 178.83 179.23 2isa h ALA 435 N 0.98 1.25 -0.37 3.87 0.00 -0.64 -0.33 119.26 124.03 2isa h ALA 435 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2isa h ALA 435 Cb 0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2isa h ALA 435 CO -0.01 0.42 0.19 0.82 0.00 0.00 0.00 179.25 180.67 2isa h ILE 436 N 1.12 1.16 -0.42 0.00 2.04 -1.12 -1.55 117.51 118.74 2isa h ILE 436 Ca 0.38 -0.44 0.05 0.00 1.00 0.00 0.00 64.86 65.86 2isa h ILE 436 Cb 0.07 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 2isa h ILE 436 CO -0.14 0.17 0.14 0.25 0.00 0.00 0.00 178.15 178.56 2isa h LEU 437 N 0.47 0.14 -0.16 1.44 6.46 -0.78 0.15 115.31 123.02 2isa h LEU 437 Ca 0.13 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 2isa h LEU 437 Cb 0.09 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 2isa h LEU 437 CO -0.02 0.11 0.07 -0.26 -0.62 0.00 0.00 178.44 177.72 2isa h PHE 438 N 0.30 0.24 0.09 1.25 0.05 -0.88 -1.69 116.94 116.30 2isa h PHE 438 Ca 0.20 -0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.97 2isa h PHE 438 Cb 0.19 -0.07 0.00 0.00 2.00 0.00 0.00 35.95 38.07 2isa h PHE 438 CO -0.16 0.30 -0.04 0.22 -0.18 0.00 0.00 178.31 178.45 2isa h ASP 439 N 0.12 -0.10 -0.70 2.17 3.58 -1.14 -0.82 116.42 119.53 2isa h ASP 439 Ca 0.05 -0.10 0.08 0.00 0.42 0.00 0.00 57.03 57.48 2isa h ASP 439 Cb 0.16 0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.17 2isa h ASP 439 CO -0.01 0.04 0.37 0.78 -2.88 0.00 0.00 179.24 177.54 2isa h ASN 440 N -0.24 0.51 -0.05 2.28 -0.26 -0.69 -1.34 115.58 115.80 2isa h ASN 440 Ca -0.01 0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.76 2isa h ASN 440 Cb 0.20 -0.05 -0.00 0.00 -1.06 0.00 0.00 38.32 37.41 2isa h ASN 440 CO 0.02 0.31 -0.03 0.74 -1.06 0.00 0.00 177.43 177.42 2isa h THR 441 N 0.65 1.34 -0.53 2.81 2.02 -1.22 -1.68 112.91 116.30 2isa h THR 441 Ca 0.33 -1.05 0.02 0.00 0.77 0.00 0.00 66.41 66.47 2isa h THR 441 Cb 0.28 1.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 2isa h THR 441 CO -0.23 0.29 0.33 0.00 0.37 0.00 0.00 175.52 176.28 2isa h ALA 442 N 0.60 0.68 -0.21 6.16 0.00 -0.96 -0.35 119.26 125.18 2isa h ALA 442 Ca 0.01 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2isa h ALA 442 Cb 0.47 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2isa h ALA 442 CO 0.01 0.05 -0.32 0.00 0.00 0.00 0.00 179.25 178.99 2isa h ARG 443 N 0.66 0.43 0.00 0.00 3.08 -1.31 -2.62 114.38 114.62 2isa h ARG 443 Ca 0.21 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 2isa h ARG 443 Cb -0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2isa h ARG 443 CO -0.08 0.70 -0.39 -0.97 -1.07 0.00 0.00 179.97 178.16 2isa h ASN 444 N 0.37 0.00 -0.11 7.04 -0.73 -0.74 -2.82 115.58 118.59 2isa h ASN 444 Ca 0.05 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.22 2isa h ASN 444 Cb 0.75 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.34 2isa h ASN 444 CO 0.06 0.39 0.00 0.18 -0.37 0.00 0.00 177.43 177.69 2isa n LEU 445 N -3.82 1.31 -4.71 0.34 4.77 -0.19 -4.88 117.00 109.82 2isa n LEU 445 Ca -0.01 -0.53 -0.42 0.00 -0.03 0.00 0.00 56.01 55.02 2isa n LEU 445 Cb 0.46 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 2isa n LEU 445 CO 0.38 0.27 1.42 -3.20 -1.33 0.00 0.00 177.39 174.93 2isa n ASN 446 N 0.08 4.04 0.00 -1.43 2.85 -1.07 -1.65 115.26 118.08 2isa n ASN 446 Ca 0.16 1.03 0.00 0.00 -0.11 0.00 0.00 54.58 55.66 2isa n ASN 446 Cb 0.28 -1.57 0.00 0.00 1.24 0.00 0.00 39.78 39.74 2isa n ASN 446 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2isa n GLY 447 N 4.09 2.39 3.73 8.20 0.00 -1.26 -4.97 105.19 117.37 2isa n GLY 447 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2isa n GLY 447 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2isa s VAL 448 N -3.09 4.17 0.22 1.61 1.01 -0.66 -4.87 120.40 118.80 2isa s VAL 448 Ca 0.00 1.76 -0.31 0.00 0.00 0.00 0.00 61.98 63.43 2isa s VAL 448 Cb 0.00 -4.12 -0.15 0.00 0.00 0.00 0.00 36.38 32.10 2isa s VAL 448 CO 0.00 0.25 1.06 -2.65 0.00 0.00 0.00 175.10 173.76 2isa n PRO 449 N 2.89 1.15 -0.36 2.72 -0.02 -1.26 -4.66 135.00 135.46 2isa n PRO 449 Ca 0.04 0.41 0.08 0.00 -2.02 0.00 0.00 63.50 62.01 2isa n PRO 449 Cb 0.47 -1.82 0.25 0.00 -0.02 0.00 0.00 33.50 32.39 2isa n PRO 449 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2isa h LYS 450 N 2.67 0.93 -0.10 -0.52 3.64 -1.97 -0.10 116.57 121.11 2isa h LYS 450 Ca -0.41 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 58.87 2isa h LYS 450 Cb 1.35 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 2isa h LYS 450 CO 0.65 0.62 -0.14 1.05 -2.27 0.00 0.00 179.45 179.36 2isa h GLU 451 N 0.96 0.16 -0.11 1.90 9.09 -1.99 -0.24 114.58 124.35 2isa h GLU 451 Ca 0.51 -0.04 -0.10 0.00 0.05 0.00 0.00 59.36 59.79 2isa h GLU 451 Cb 0.56 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.64 2isa h GLU 451 CO -0.29 0.31 -0.32 0.82 0.05 0.00 0.00 179.01 179.59 2isa h ILE 452 N 0.16 1.39 -0.40 -1.06 2.04 -1.38 -2.53 117.51 115.73 2isa h ILE 452 Ca 0.03 -1.64 0.08 0.00 1.00 0.00 0.00 64.86 64.33 2isa h ILE 452 Cb 0.35 2.15 -0.07 0.00 -0.74 0.00 0.00 36.82 38.52 2isa h ILE 452 CO 0.02 0.48 -0.05 1.56 0.00 0.00 0.00 178.15 180.17 2isa h GLN 453 N -0.02 0.05 -0.60 2.37 4.20 -0.88 -2.01 115.11 118.22 2isa h GLN 453 Ca -0.01 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 2isa h GLN 453 Cb 0.94 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.68 2isa h GLN 453 CO 0.07 0.03 0.37 1.25 -0.67 0.00 0.00 178.83 179.88 2isa h LEU 454 N 0.05 0.70 -0.67 1.46 5.85 -1.09 -1.13 115.31 120.48 2isa h LEU 454 Ca 0.20 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2isa h LEU 454 Cb 0.29 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2isa h LEU 454 CO -0.37 0.53 0.43 0.03 -0.34 0.00 0.00 178.44 178.72 2isa h ARG 455 N 0.82 0.90 -0.02 1.25 2.47 -0.92 -0.06 114.38 118.82 2isa h ARG 455 Ca 0.22 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.87 2isa h ARG 455 Cb -0.05 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 28.07 2isa h ARG 455 CO -0.04 0.61 -0.01 1.25 0.56 0.00 0.00 179.97 182.35 2isa h HIS 456 N 0.91 0.04 -0.96 3.04 2.76 -1.01 -2.47 115.15 117.47 2isa h HIS 456 Ca 0.24 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.46 2isa h HIS 456 Cb -0.07 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 28.81 2isa h HIS 456 CO -0.02 0.41 0.61 0.28 -1.30 0.00 0.00 177.93 177.91 2isa h VAL 457 N -0.34 1.10 -0.39 5.26 2.07 -1.16 0.85 116.25 123.64 2isa h VAL 457 Ca 0.00 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.17 2isa h VAL 457 Cb 0.40 -0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 29.99 2isa h VAL 457 CO 0.00 0.21 0.18 0.74 0.02 0.00 0.00 177.57 178.72 2isa h THR 458 N 1.14 0.95 -0.67 2.57 2.02 -1.00 0.27 112.91 118.18 2isa h THR 458 Ca 0.40 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.43 2isa h THR 458 Cb 0.11 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 2isa h THR 458 CO -0.16 0.07 0.32 0.45 0.37 0.00 0.00 175.52 176.57 2isa h HIS 459 N 0.37 0.97 -0.70 3.16 3.86 -0.79 -1.55 115.15 120.47 2isa h HIS 459 Ca 0.17 -0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 59.28 2isa h HIS 459 Cb 0.10 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.23 2isa h HIS 459 CO -0.11 0.73 0.24 0.00 0.86 0.00 0.00 177.93 179.64 2isa h TYR 461 N 1.03 0.64 -0.04 0.00 3.20 -0.06 -1.60 116.97 120.14 2isa h TYR 461 Ca 0.23 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.04 2isa h TYR 461 Cb 0.26 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2isa h TYR 461 CO 0.02 0.40 -0.31 0.87 -1.64 0.00 0.00 178.16 177.50 2isa h LYS 462 N 0.69 0.08 -0.27 1.82 1.57 -1.05 -2.44 116.57 116.97 2isa h LYS 462 Ca 0.19 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 2isa h LYS 462 Cb -0.08 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2isa h LYS 462 CO -0.04 0.39 -0.05 0.00 -0.57 0.00 0.00 179.45 179.18 2isa h ALA 463 N 1.62 0.37 -1.57 3.86 0.00 -1.03 -3.46 119.26 119.04 2isa h ALA 463 Ca 0.01 -0.26 0.10 0.00 0.00 0.00 0.00 54.91 54.76 2isa h ALA 463 Cb 0.59 -0.10 -0.24 0.00 0.00 0.00 0.00 17.79 18.04 2isa h ALA 463 CO 0.04 0.17 0.19 0.34 0.00 0.00 0.00 179.25 179.99 2isa s ASP 464 N -6.09 -0.71 0.43 0.00 -1.08 -0.63 -4.06 116.67 104.53 2isa s ASP 464 Ca -0.13 1.07 0.21 0.00 -0.52 0.00 0.00 52.55 53.18 2isa s ASP 464 Cb 0.08 1.52 1.17 0.00 -1.46 0.00 0.00 42.92 44.23 2isa s ASP 464 CO 0.77 -0.16 1.81 -0.65 0.52 0.00 0.00 175.17 177.45 2isa h PRO 465 N 6.89 0.32 -0.02 4.34 0.11 -1.68 0.23 132.00 142.19 2isa h PRO 465 Ca -0.24 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.72 2isa h PRO 465 Cb 1.17 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2isa h PRO 465 CO 0.15 0.21 -0.61 0.00 -0.21 0.00 0.00 178.00 177.54 2isa h ALA 466 N 1.59 0.95 0.40 -0.75 0.00 -1.90 -1.24 119.26 118.31 2isa h ALA 466 Ca 0.54 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2isa h ALA 466 Cb 1.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2isa h ALA 466 CO -0.21 0.75 -0.19 -0.92 0.00 0.00 0.00 179.25 178.68 2isa h TYR 467 N 0.05 -0.50 -0.34 0.00 3.20 -1.20 -0.87 116.97 117.32 2isa h TYR 467 Ca -0.01 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.92 2isa h TYR 467 Cb 1.09 0.17 -0.06 0.00 1.54 0.00 0.00 36.73 39.46 2isa h TYR 467 CO 0.01 -0.19 -0.07 0.78 -1.64 0.00 0.00 178.16 177.04 2isa h GLY 468 N -0.80 0.25 1.56 1.82 0.00 -1.40 -3.00 103.07 101.50 2isa h GLY 468 Ca -0.06 0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 2isa h GLY 468 CO 0.09 -0.12 -0.10 -2.09 0.00 0.00 0.00 176.54 174.32 2isa h GLU 469 N 0.01 0.54 -0.66 4.80 4.81 -1.22 -0.67 114.58 122.19 2isa h GLU 469 Ca 0.16 -0.15 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 2isa h GLU 469 Cb 0.25 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.51 2isa h GLU 469 CO -0.34 0.64 0.37 0.78 -0.73 0.00 0.00 179.01 179.73 2isa h GLY 470 N 0.92 0.96 0.95 1.92 0.00 -1.01 -0.28 103.07 106.52 2isa h GLY 470 Ca 0.09 -0.26 -0.23 0.00 0.00 0.00 0.00 47.33 46.94 2isa h GLY 470 CO 0.03 0.17 -0.94 -2.22 0.00 0.00 0.00 176.54 173.58 2isa h ILE 471 N 0.69 1.39 -0.81 2.60 2.04 -1.53 -3.28 117.51 118.62 2isa h ILE 471 Ca 0.29 -2.36 0.14 0.00 1.00 0.00 0.00 64.86 63.93 2isa h ILE 471 Cb 0.16 2.80 -0.09 0.00 -0.74 0.00 0.00 36.82 38.95 2isa h ILE 471 CO -0.17 0.70 0.38 1.23 0.00 0.00 0.00 178.15 180.29 2isa h GLY 472 N -0.01 1.28 0.87 5.37 0.00 -0.79 -1.31 103.07 108.48 2isa h GLY 472 Ca -0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 2isa h GLY 472 CO 0.18 -0.06 0.03 0.50 0.00 0.00 0.00 176.54 177.19 2isa h LYS 473 N 0.55 0.10 -0.10 4.80 1.57 -1.16 -0.85 116.57 121.49 2isa h LYS 473 Ca 0.44 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.19 2isa h LYS 473 Cb 0.63 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2isa h LYS 473 CO -0.37 0.22 0.02 -0.07 -0.57 0.00 0.00 179.45 178.68 2isa h LEU 474 N -0.04 0.12 -0.31 2.94 3.38 -1.40 -1.34 115.31 118.67 2isa h LEU 474 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2isa h LEU 474 Cb 0.15 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2isa h LEU 474 CO -0.00 0.13 -0.31 0.18 0.09 0.00 0.00 178.44 178.52 2isa n LEU 475 N -4.48 0.79 0.00 1.67 4.77 -0.57 -4.95 117.00 114.22 2isa n LEU 475 Ca -0.01 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2isa n LEU 475 Cb 0.12 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2isa n LEU 475 CO 0.35 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 2isa n GLY 476 N 1.39 0.53 3.82 -0.72 0.00 -0.51 -5.05 105.19 104.65 2isa n GLY 476 Ca 0.10 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 2isa n GLY 476 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2isa s PHE 477 N -2.00 3.51 0.27 1.61 2.99 -0.37 -5.03 117.98 118.97 2isa s PHE 477 Ca 0.00 1.39 -0.24 0.00 0.00 0.00 0.00 56.93 58.08 2isa s PHE 477 Cb 0.00 -2.65 -0.09 0.00 0.00 0.00 0.00 43.02 40.28 2isa s PHE 477 CO 0.00 0.18 0.86 0.34 -0.00 0.00 0.00 175.22 176.60 2isa s ASP 478 N -1.94 7.28 0.50 1.36 -1.08 -1.26 -4.51 116.67 117.02 2isa s ASP 478 Ca 0.50 1.70 0.25 0.00 -0.52 0.00 0.00 52.55 54.48 2isa s ASP 478 Cb -0.14 -2.52 1.33 0.00 -1.46 0.00 0.00 42.92 40.13 2isa s ASP 478 CO 0.19 0.01 1.93 -0.29 0.52 0.00 0.00 175.17 177.52 2isa h ILE 479 N 2.76 0.67 0.00 4.11 2.10 -1.97 -0.19 117.51 124.99 2isa h ILE 479 Ca -0.47 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.43 2isa h ILE 479 Cb 1.19 0.54 0.00 0.00 -1.09 0.00 0.00 36.82 37.46 2isa h ILE 479 CO 0.65 0.02 0.00 0.77 -1.08 0.00 0.00 178.15 178.52 2isa h SER 480 N 0.12 0.00 1.20 2.19 4.64 -1.98 -1.19 113.55 118.53 2isa h SER 480 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2isa h SER 480 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2isa h SER 480 CO -0.05 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.58 2isa h GLU 481 N 0.00 0.00 0.00 4.77 5.08 -1.42 -3.37 114.58 119.65 2isa h GLU 481 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2isa h GLU 481 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2isa h GLU 481 CO 0.00 0.00 0.00 2.48 -1.00 0.00 0.00 179.01 180.49 2isa n TYR 482 N -3.06 0.00 1.69 4.33 0.18 -1.03 -4.84 117.16 114.42 2isa n TYR 482 Ca 0.01 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.93 2isa n TYR 482 Cb 0.35 0.00 0.64 0.00 -0.38 0.00 0.00 39.34 39.95 2isa n TYR 482 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 2isa n ASN 483 N -0.01 0.82 -0.02 9.48 6.94 -0.48 -4.50 115.26 127.49 2isa n ASN 483 Ca 0.00 -1.36 0.00 0.00 -0.02 0.00 0.00 54.58 53.21 2isa n ASN 483 Cb 0.21 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.61 2isa n ASN 483 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69