#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 1.57 -2.42 -1.46 5.02 -1.26 -5.02 118.16 114.60 2isa n LYS 4 Ca 0.00 -1.37 -0.42 0.00 -2.02 0.00 0.00 58.31 54.50 2isa n LYS 4 Cb 0.00 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 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 -1.68 4.47 0.06 1.97 1.02 -1.26 -4.98 119.74 119.35 2isa s LYS 5 Ca 0.19 1.80 -0.30 0.00 0.02 0.00 0.00 55.97 57.68 2isa s LYS 5 Cb 0.15 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 34.11 2isa s LYS 5 CO 0.29 -0.16 1.01 -1.17 -0.92 0.00 0.00 175.35 174.41 2isa s LEU 6 N 0.46 4.43 0.30 3.17 2.96 -1.26 -5.02 118.68 123.72 2isa s LEU 6 Ca 0.56 1.79 0.05 0.00 -0.22 0.00 0.00 54.13 56.31 2isa s LEU 6 Cb -0.31 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 42.74 2isa s LEU 6 CO 0.32 -0.21 0.01 0.42 -1.32 0.00 0.00 176.35 175.56 2isa s THR 7 N 0.54 1.40 1.01 3.68 -4.23 -1.26 -1.70 115.64 115.08 2isa s THR 7 Ca 0.51 -2.05 -0.15 0.00 -1.18 0.00 0.00 61.69 58.82 2isa s THR 7 Cb -0.24 -2.64 0.20 0.00 1.34 0.00 0.00 72.50 71.16 2isa s THR 7 CO 0.29 -0.15 1.16 0.42 -0.54 0.00 0.00 174.62 175.81 2isa s THR 8 N -3.16 1.89 0.51 3.99 -4.23 0.16 -4.82 115.64 109.98 2isa s THR 8 Ca 0.33 0.00 0.32 0.00 -1.18 0.00 0.00 61.69 61.16 2isa s THR 8 Cb 0.07 -2.69 0.35 0.00 1.34 0.00 0.00 72.50 71.56 2isa s THR 8 CO 0.14 0.00 2.19 0.00 -0.54 0.00 0.00 174.62 176.41 2isa h ALA 9 N -1.88 1.30 -0.40 3.99 0.00 -2.00 -1.09 119.26 119.17 2isa h ALA 9 Ca -0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2isa h ALA 9 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2isa h ALA 9 CO 0.49 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.80 2isa n ALA 10 N -2.24 2.44 -0.83 0.00 0.00 -1.26 -4.94 120.51 113.68 2isa n ALA 10 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.60 2isa n ALA 10 Cb 0.15 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 1.29 0.56 3.71 0.00 0.00 -0.41 -5.04 105.19 105.30 2isa n GLY 11 Ca 0.17 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 3.84 1.67 -3.49 0.00 -0.02 -1.26 -0.66 135.00 135.08 2isa n PRO 13 Ca 0.06 0.59 -0.40 0.00 -2.02 0.00 0.00 63.50 61.73 2isa n PRO 13 Cb 0.50 -2.16 -0.10 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 -0.25 5.25 0.03 -1.45 1.01 -0.69 -4.80 120.40 119.50 2isa s VAL 14 Ca 0.68 -0.08 0.10 0.00 0.00 0.00 0.00 61.98 62.68 2isa s VAL 14 Cb -0.72 -3.73 -0.21 0.00 0.00 0.00 0.00 36.38 31.72 2isa s VAL 14 CO 0.52 -0.01 1.01 0.00 0.00 0.00 0.00 175.10 176.62 2isa h ALA 15 N 8.46 0.55 -3.36 5.51 0.00 -1.93 -3.45 119.26 125.05 2isa h ALA 15 Ca -0.31 -1.13 -0.56 0.00 0.00 0.00 0.00 54.91 52.91 2isa h ALA 15 Cb 1.16 0.13 -0.39 0.00 0.00 0.00 0.00 17.79 18.68 2isa h ALA 15 CO 0.65 1.37 -0.77 -1.01 0.00 0.00 0.00 179.25 179.48 2isa s HIS 16 N -2.68 1.62 -0.03 0.00 3.76 -1.26 -4.95 115.29 111.76 2isa s HIS 16 Ca -0.01 -1.35 0.05 0.00 -0.15 0.00 0.00 55.06 53.59 2isa s HIS 16 Cb 0.09 -1.37 0.07 0.00 1.11 0.00 0.00 32.58 32.48 2isa s HIS 16 CO 0.82 -0.72 1.01 -1.71 -0.85 0.00 0.00 174.74 173.28 2isa n ASN 17 N 4.88 1.93 0.00 1.40 5.15 -1.26 -4.72 115.26 122.64 2isa n ASN 17 Ca -0.08 -2.20 0.00 0.00 -0.60 0.00 0.00 54.58 51.70 2isa n ASN 17 Cb 0.45 -0.11 0.00 0.00 -0.53 0.00 0.00 39.78 39.59 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 -0.68 3.41 -3.96 1.20 1.13 -1.26 -5.03 117.38 112.19 2isa n GLN 18 Ca 0.04 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.88 2isa n GLN 18 Cb 0.37 -0.99 -0.17 0.00 0.11 0.00 0.00 30.24 29.56 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 -2.81 1.32 0.68 1.08 0.01 -1.26 -5.15 114.94 108.81 2isa s ASN 19 Ca 0.00 -0.12 -0.11 0.00 -0.71 0.00 0.00 52.86 51.92 2isa s ASN 19 Cb 0.00 -0.47 0.00 0.00 0.41 0.00 0.00 41.25 41.19 2isa s ASN 19 CO 0.00 -0.12 1.06 0.68 -1.51 0.00 0.00 177.10 177.20 2isa s VAL 20 N 1.46 4.04 -0.04 1.60 -7.23 -1.26 -4.92 120.40 114.04 2isa s VAL 20 Ca -0.03 0.69 -0.30 0.00 -1.81 0.00 0.00 61.98 60.54 2isa s VAL 20 Cb -0.13 -3.42 -0.03 0.00 0.56 0.00 0.00 36.38 33.36 2isa s VAL 20 CO -0.03 -0.83 1.07 -1.58 -0.31 0.00 0.00 175.10 173.42 2isa s GLN 21 N -4.94 4.44 0.24 4.82 0.74 -1.26 -5.03 119.66 118.68 2isa s GLN 21 Ca 0.58 1.52 0.06 0.00 0.05 0.00 0.00 55.36 57.58 2isa s GLN 21 Cb -0.14 -3.50 -0.05 0.00 1.10 0.00 0.00 33.01 30.42 2isa s GLN 21 CO 0.53 -0.27 -0.08 0.95 -0.55 0.00 0.00 175.29 175.87 2isa s THR 22 N 1.65 1.57 -1.15 -0.34 -4.23 -1.26 -1.33 115.64 110.55 2isa s THR 22 Ca 0.53 -2.14 -0.17 0.00 -1.18 0.00 0.00 61.69 58.73 2isa s THR 22 Cb -0.22 -2.28 0.12 0.00 1.34 0.00 0.00 72.50 71.46 2isa s THR 22 CO 0.23 -0.41 1.46 0.00 -0.54 0.00 0.00 174.62 175.35 2isa s ALA 23 N -3.07 3.51 0.00 3.99 0.00 -0.62 -4.85 121.76 120.72 2isa s ALA 23 Ca 0.27 -2.97 0.00 0.00 0.00 0.00 0.00 51.96 49.26 2isa s ALA 23 Cb 0.03 -4.31 0.00 0.00 0.00 0.00 0.00 23.12 18.84 2isa s ALA 23 CO 0.09 -3.08 0.00 0.41 0.00 0.00 0.00 175.76 173.19 2isa n GLY 24 N 5.13 -1.70 0.32 0.00 0.00 -1.26 -3.47 105.19 104.21 2isa n GLY 24 Ca 0.37 -1.54 0.02 0.00 0.00 0.00 0.00 46.02 44.87 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 0.88 -0.23 1.61 1.57 -2.00 -2.35 116.57 116.05 2isa h LYS 25 Ca 0.00 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 2isa h LYS 25 Cb 0.00 -0.20 -0.06 0.00 0.08 0.00 0.00 32.23 32.05 2isa h LYS 25 CO 0.00 0.58 -0.14 0.54 -0.57 0.00 0.00 179.45 179.86 2isa n ARG 26 N -4.67 1.90 -2.95 3.15 5.12 -1.26 -5.04 116.66 112.91 2isa n ARG 26 Ca 0.13 -3.09 -0.19 0.00 -1.93 0.00 0.00 57.85 52.77 2isa n ARG 26 Cb 0.22 -1.75 0.02 0.00 -1.16 0.00 0.00 32.46 29.79 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 -2.61 1.85 0.79 -0.13 0.00 -0.88 -5.06 107.32 101.27 2isa s GLY 27 Ca 0.42 -1.51 -0.11 0.00 0.00 0.00 0.00 44.72 43.52 2isa s GLY 27 CO 0.00 -1.31 1.09 -4.14 0.00 0.00 0.00 173.10 168.74 2isa s PRO 28 N -4.46 2.12 0.35 2.90 0.02 -1.26 -4.38 135.00 130.28 2isa s PRO 28 Ca 0.54 0.88 -0.27 0.00 0.02 0.00 0.00 61.00 62.16 2isa s PRO 28 Cb -0.10 -1.90 -0.09 0.00 0.02 0.00 0.00 34.50 32.42 2isa s PRO 28 CO 0.35 -1.65 1.18 -1.14 -0.33 0.00 0.00 177.00 175.41 2isa s GLN 29 N -5.02 4.30 0.03 5.54 0.74 -1.26 -1.59 119.66 122.41 2isa s GLN 29 Ca 0.61 1.92 -0.18 0.00 0.05 0.00 0.00 55.36 57.76 2isa s GLN 29 Cb -0.16 -2.92 -0.06 0.00 1.10 0.00 0.00 33.01 30.97 2isa s GLN 29 CO 0.55 -0.13 0.53 -0.51 -0.55 0.00 0.00 175.29 175.18 2isa s LEU 30 N -2.02 4.49 0.45 3.68 1.43 -0.45 -4.89 118.68 121.37 2isa s LEU 30 Ca 0.51 1.15 0.13 0.00 -1.03 0.00 0.00 54.13 54.89 2isa s LEU 30 Cb -0.33 -2.81 1.00 0.00 0.03 0.00 0.00 46.19 44.08 2isa s LEU 30 CO 0.43 0.25 2.02 0.25 0.23 0.00 0.00 176.35 179.53 2isa h LEU 31 N 4.84 0.10 0.00 1.79 5.85 -1.96 -3.05 115.31 122.89 2isa h LEU 31 Ca -0.49 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2isa h LEU 31 Cb 1.21 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2isa h LEU 31 CO 0.64 0.20 0.00 0.00 -0.34 0.00 0.00 178.44 178.95 2isa n GLN 32 N -4.38 0.62 -2.33 1.25 10.64 -1.26 -4.31 117.38 117.61 2isa n GLN 32 Ca -0.02 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.81 2isa n GLN 32 Cb 0.19 -1.38 -0.04 0.00 -0.86 0.00 0.00 30.24 28.16 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 -1.85 5.90 0.24 2.61 -1.08 -1.15 -4.78 116.67 116.55 2isa s ASP 33 Ca 0.23 -1.16 0.13 0.00 -0.52 0.00 0.00 52.55 51.23 2isa s ASP 33 Cb 0.10 -2.57 0.05 0.00 -1.46 0.00 0.00 42.92 39.05 2isa s ASP 33 CO 0.18 -2.06 1.43 -0.37 0.52 0.00 0.00 175.17 174.87 2isa h VAL 34 N 6.95 1.16 -0.34 1.11 -1.51 -1.91 -3.00 116.25 118.70 2isa h VAL 34 Ca 0.16 -2.53 -0.11 0.00 -1.23 0.00 0.00 66.70 62.99 2isa h VAL 34 Cb 1.00 2.50 -0.01 0.00 -2.13 0.00 0.00 31.29 32.66 2isa h VAL 34 CO 1.33 0.64 -0.23 -0.25 -1.23 0.00 0.00 177.57 177.83 2isa h TRP 35 N 0.00 0.89 -0.21 5.19 2.91 -1.95 -1.26 115.95 121.52 2isa h TRP 35 Ca -0.01 -0.24 0.06 0.00 1.13 0.00 0.00 58.89 59.83 2isa h TRP 35 Cb 1.45 -0.20 -0.07 0.00 -0.51 0.00 0.00 29.16 29.84 2isa h TRP 35 CO 0.00 0.98 -0.25 0.35 -1.03 0.00 0.00 178.44 178.49 2isa h PHE 36 N 0.53 -0.67 -0.55 2.65 3.57 -1.91 0.11 116.94 120.67 2isa h PHE 36 Ca 0.07 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.65 2isa h PHE 36 Cb 0.79 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.81 2isa h PHE 36 CO 0.06 -0.33 0.29 -0.07 -2.23 0.00 0.00 178.31 176.03 2isa h LEU 37 N -0.28 0.42 0.01 0.59 3.38 -1.38 -0.84 115.31 117.21 2isa h LEU 37 Ca 0.13 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2isa h LEU 37 Cb 0.47 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2isa h LEU 37 CO -0.37 0.29 -0.00 -0.08 0.09 0.00 0.00 178.44 178.37 2isa h GLU 38 N 0.56 -0.01 -0.51 1.13 4.81 -0.95 -1.14 114.58 118.46 2isa h GLU 38 Ca 0.24 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.53 2isa h GLU 38 Cb 0.14 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.46 2isa h GLU 38 CO -0.16 0.34 0.21 -0.22 -0.73 0.00 0.00 179.01 178.46 2isa h LYS 39 N -0.36 0.40 -0.23 1.92 3.64 -0.70 -1.29 116.57 119.95 2isa h LYS 39 Ca -0.00 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.19 2isa h LYS 39 Cb 0.35 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2isa h LYS 39 CO 0.00 0.27 -0.53 -0.07 -2.27 0.00 0.00 179.45 176.84 2isa h LEU 40 N 0.42 0.75 -0.57 5.20 -0.00 -1.16 -1.86 115.31 118.09 2isa h LEU 40 Ca 0.24 -0.40 -0.05 0.00 -0.00 0.00 0.00 57.88 57.67 2isa h LEU 40 Cb 0.22 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.64 2isa h LEU 40 CO -0.21 1.14 0.14 0.00 -0.00 0.00 0.00 178.44 179.51 2isa h ALA 41 N 0.88 0.75 -0.36 1.53 0.00 -0.97 0.21 119.26 121.29 2isa h ALA 41 Ca 0.01 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2isa h ALA 41 Cb 1.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2isa h ALA 41 CO 0.11 0.44 -0.00 0.45 0.00 0.00 0.00 179.25 180.25 2isa h HIS 42 N 0.81 0.70 -0.65 0.00 3.86 -1.25 -2.92 115.15 115.70 2isa h HIS 42 Ca 0.18 -0.12 0.10 0.00 -1.16 0.00 0.00 60.37 59.36 2isa h HIS 42 Cb 0.34 -0.18 -0.07 0.00 1.06 0.00 0.00 27.41 28.55 2isa h HIS 42 CO 0.02 0.74 0.28 0.35 0.86 0.00 0.00 177.93 180.19 2isa h PHE 43 N 0.45 0.50 0.00 2.45 3.57 -1.12 -0.98 116.94 121.81 2isa h PHE 43 Ca 0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.63 2isa h PHE 43 Cb 0.47 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.08 2isa h PHE 43 CO 0.04 0.15 0.00 -0.25 -2.23 0.00 0.00 178.31 176.02 2isa n ASP 44 N -4.94 0.43 -0.06 0.41 8.00 0.72 -2.73 116.55 118.38 2isa n ASP 44 Ca 0.10 0.66 0.07 0.00 0.71 0.00 0.00 54.79 56.33 2isa n ASP 44 Cb 0.28 -0.73 0.10 0.00 -0.02 0.00 0.00 41.12 40.75 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 -2.03 1.64 -0.10 -1.24 1.74 -0.39 -4.76 116.66 111.52 2isa n ARG 45 Ca 0.00 -2.26 -0.01 0.00 -0.77 0.00 0.00 57.85 54.81 2isa n ARG 45 Cb 0.10 -1.34 0.24 0.00 -1.02 0.00 0.00 32.46 30.44 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 0.75 -6.19 5.56 5.08 -1.31 -3.44 114.58 115.04 2isa h GLU 46 Ca 0.00 -0.13 -0.56 0.00 -1.00 0.00 0.00 59.36 57.67 2isa h GLU 46 Cb 0.89 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 2isa h GLU 46 CO 0.00 0.66 0.08 0.08 -1.00 0.00 0.00 179.01 178.83 2isa s VAL 47 N -5.25 4.83 0.36 3.13 1.01 -1.26 -5.09 120.40 118.13 2isa s VAL 47 Ca -0.09 1.45 0.08 0.00 0.00 0.00 0.00 61.98 63.42 2isa s VAL 47 Cb 0.16 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 2isa s VAL 47 CO 0.78 0.38 0.03 0.27 0.00 0.00 0.00 175.10 176.57 2isa s ILE 48 N -0.06 2.44 0.34 2.22 -4.36 -1.26 -5.10 121.20 115.42 2isa s ILE 48 Ca 0.35 -1.95 -0.29 0.00 -0.26 0.00 0.00 60.65 58.50 2isa s ILE 48 Cb -0.19 -2.85 -0.11 0.00 1.25 0.00 0.00 42.46 40.56 2isa s ILE 48 CO 0.20 -0.14 1.55 -2.84 0.24 0.00 0.00 174.94 173.95 2isa s PRO 49 N -3.74 4.10 0.85 0.37 0.02 -1.26 -4.99 135.00 130.34 2isa s PRO 49 Ca 0.36 2.60 -0.11 0.00 0.02 0.00 0.00 61.00 63.87 2isa s PRO 49 Cb 0.02 -2.98 0.10 0.00 0.02 0.00 0.00 34.50 31.66 2isa s PRO 49 CO 0.19 -0.60 1.09 -1.83 -0.33 0.00 0.00 177.00 175.53 2isa s GLU 50 N -1.42 1.67 0.46 5.54 -1.05 -1.26 -4.95 118.70 117.68 2isa s GLU 50 Ca 0.58 0.98 -0.25 0.00 -0.15 0.00 0.00 54.97 56.13 2isa s GLU 50 Cb -0.48 -1.84 -0.08 0.00 -0.44 0.00 0.00 34.13 31.29 2isa s GLU 50 CO 0.57 -2.00 1.42 0.54 0.95 0.00 0.00 175.26 176.74 2isa n ARG 51 N -3.74 2.17 0.00 -4.83 1.74 -1.26 -5.04 116.66 105.69 2isa n ARG 51 Ca 0.08 0.77 0.01 0.00 -0.77 0.00 0.00 57.85 57.95 2isa n ARG 51 Cb 0.54 -2.62 0.07 0.00 -1.02 0.00 0.00 32.46 29.44 2isa n ARG 51 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2isa n ARG 52 N -0.30 0.41 -1.68 5.56 3.00 -1.26 -4.21 116.66 118.19 2isa n ARG 52 Ca 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.90 2isa n ARG 52 Cb 0.42 -1.09 -0.00 0.00 0.00 0.00 0.00 32.46 31.78 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 -0.59 -0.02 0.24 -0.14 8.25 -0.52 -5.07 115.22 117.37 2isa n HIS 54 Ca 0.02 0.01 0.08 0.00 -0.26 0.00 0.00 57.72 57.57 2isa n HIS 54 Cb 0.01 -0.04 0.60 0.00 1.12 0.00 0.00 29.99 31.68 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 1.98 1.59 -3.00 -1.41 0.00 -1.73 -3.42 119.26 113.27 2isa h ALA 55 Ca -0.01 -0.13 -0.63 0.00 0.00 0.00 0.00 54.91 54.14 2isa h ALA 55 Cb 0.03 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 17.63 2isa h ALA 55 CO 0.02 0.18 -0.53 0.21 0.00 0.00 0.00 179.25 179.13 2isa s LYS 56 N -4.55 3.96 0.19 0.00 2.47 -1.25 -4.50 119.74 116.07 2isa s LYS 56 Ca -0.04 -0.32 -0.24 0.00 -1.56 0.00 0.00 55.97 53.81 2isa s LYS 56 Cb 0.15 -3.54 0.05 0.00 -1.46 0.00 0.00 37.83 33.03 2isa s LYS 56 CO 0.65 -0.06 0.91 0.20 0.16 0.00 0.00 175.35 177.21 2isa s GLY 57 N 1.38 -0.17 -0.00 5.54 0.00 -1.26 -1.76 107.32 111.05 2isa s GLY 57 Ca 0.07 -0.02 0.01 0.00 0.00 0.00 0.00 44.72 44.77 2isa s GLY 57 CO 0.07 0.08 -0.02 -0.56 0.00 0.00 0.00 173.10 172.67 2isa s SER 58 N -2.97 0.28 0.17 1.64 0.01 0.41 -4.97 113.70 108.26 2isa s SER 58 Ca 0.13 -0.04 0.07 0.00 1.31 0.00 0.00 55.95 57.42 2isa s SER 58 Cb -0.03 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.12 2isa s SER 58 CO 0.04 0.02 -0.15 -0.83 0.41 0.00 0.00 173.24 172.73 2isa s GLY 59 N -0.01 1.31 -0.04 3.44 0.00 -1.26 -0.32 107.32 110.45 2isa s GLY 59 Ca 0.00 -1.51 -0.28 0.00 0.00 0.00 0.00 44.72 42.93 2isa s GLY 59 CO -0.00 -1.58 0.62 0.00 0.00 0.00 0.00 173.10 172.13 2isa s ALA 60 N -2.51 -1.60 0.24 3.20 0.00 -0.36 -4.52 121.76 116.22 2isa s ALA 60 Ca 0.17 1.13 -0.08 0.00 0.00 0.00 0.00 51.96 53.18 2isa s ALA 60 Cb -0.03 0.04 -0.07 0.00 0.00 0.00 0.00 23.12 23.07 2isa s ALA 60 CO 0.05 -0.37 0.54 0.71 0.00 0.00 0.00 175.76 176.70 2isa s TYR 61 N -1.30 3.44 0.00 0.00 1.51 0.08 -0.53 117.35 120.55 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 -0.01 -2.20 0.00 0.00 -0.11 0.00 0.00 41.96 39.64 2isa s TYR 61 CO 0.08 0.25 0.00 0.41 -1.11 0.00 0.00 175.55 175.18 2isa n GLY 62 N -0.36 3.34 2.92 0.71 0.00 -0.08 -1.10 105.19 110.63 2isa n GLY 62 Ca -0.00 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.67 -0.05 -0.10 2.61 2.01 -0.24 -1.58 115.64 115.62 2isa s THR 63 Ca 0.00 0.18 -0.10 0.00 0.31 0.00 0.00 61.69 62.07 2isa s THR 63 Cb 0.00 -0.23 -0.05 0.00 0.01 0.00 0.00 72.50 72.23 2isa s THR 63 CO 0.00 0.07 0.24 0.12 -0.69 0.00 0.00 174.62 174.36 2isa s PHE 64 N 1.13 3.60 -0.09 4.92 5.36 0.18 -1.90 117.98 131.18 2isa s PHE 64 Ca -0.09 0.65 0.01 0.00 -0.96 0.00 0.00 56.93 56.54 2isa s PHE 64 Cb -0.11 -2.12 0.02 0.00 -0.34 0.00 0.00 43.02 40.47 2isa s PHE 64 CO -0.06 0.59 -0.10 0.99 -1.46 0.00 0.00 175.22 175.19 2isa s THR 65 N -0.68 1.11 0.10 0.12 2.01 0.56 -0.92 115.64 117.94 2isa s THR 65 Ca 0.17 -0.40 -0.31 0.00 0.31 0.00 0.00 61.69 61.46 2isa s THR 65 Cb -0.13 -1.07 -0.08 0.00 0.01 0.00 0.00 72.50 71.23 2isa s THR 65 CO 0.06 0.37 1.53 -0.69 -0.69 0.00 0.00 174.62 175.19 2isa s VAL 66 N 1.22 3.08 -0.02 3.82 1.01 -0.78 -1.43 120.40 127.30 2isa s VAL 66 Ca -0.04 0.67 0.10 0.00 0.00 0.00 0.00 61.98 62.72 2isa s VAL 66 Cb -0.14 -3.43 -0.16 0.00 0.00 0.00 0.00 36.38 32.65 2isa s VAL 66 CO -0.03 0.03 0.22 0.35 0.00 0.00 0.00 175.10 175.67 2isa n THR 67 N 4.31 0.02 -4.14 3.92 -2.24 -0.35 0.19 114.28 115.99 2isa n THR 67 Ca 0.14 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.58 2isa n THR 67 Cb 0.41 0.23 -0.10 0.00 -2.10 0.00 0.00 70.33 68.77 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 -2.71 0.78 -0.47 4.78 3.76 -0.47 -4.90 115.29 116.05 2isa s HIS 68 Ca -0.04 -0.94 -0.18 0.00 -0.15 0.00 0.00 55.06 53.76 2isa s HIS 68 Cb 0.07 -0.47 0.05 0.00 1.11 0.00 0.00 32.58 33.33 2isa s HIS 68 CO 0.43 -0.21 0.52 0.34 -0.85 0.00 0.00 174.74 174.97 2isa s ASP 69 N -2.95 6.20 -0.17 1.40 -1.08 -1.26 -4.75 116.67 114.06 2isa s ASP 69 Ca 0.10 -0.95 0.17 0.00 -0.52 0.00 0.00 52.55 51.35 2isa s ASP 69 Cb 0.05 -2.25 0.44 0.00 -1.46 0.00 0.00 42.92 39.71 2isa s ASP 69 CO -0.06 -0.74 1.32 2.30 0.52 0.00 0.00 175.17 178.51 2isa n ILE 70 N 5.47 2.16 0.75 4.11 -5.35 -1.26 -4.75 119.36 120.49 2isa n ILE 70 Ca -0.08 -2.11 0.08 0.00 -0.27 0.00 0.00 62.75 60.37 2isa n ILE 70 Cb 0.45 -0.26 0.40 0.00 -1.74 0.00 0.00 39.64 38.50 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 -0.90 0.54 0.09 7.28 -2.24 -1.26 -1.12 114.28 116.67 2isa n THR 71 Ca 0.20 0.14 0.02 0.00 -2.27 0.00 0.00 64.05 62.14 2isa n THR 71 Cb 0.81 -0.87 0.39 0.00 -2.10 0.00 0.00 70.33 68.56 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 0.33 0.00 -0.78 3.64 -2.00 -3.31 116.57 114.44 2isa h LYS 72 Ca 0.00 -0.06 -0.31 0.00 -1.27 0.00 0.00 60.65 59.01 2isa h LYS 72 Cb 0.15 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.86 2isa h LYS 72 CO 0.00 0.39 -2.15 0.66 -2.27 0.00 0.00 179.45 176.07 2isa n TYR 73 N -4.32 0.27 -3.76 1.91 4.01 -0.27 -4.76 117.16 110.24 2isa n TYR 73 Ca 0.00 0.10 -0.12 0.00 -0.16 0.00 0.00 57.90 57.71 2isa n TYR 73 Cb 0.22 -1.01 -0.12 0.00 -0.31 0.00 0.00 39.34 38.13 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 -2.62 -0.01 -1.62 -0.72 -1.32 -1.12 -2.93 115.64 105.30 2isa s THR 74 Ca -0.08 0.05 0.12 0.00 -1.21 0.00 0.00 61.69 60.57 2isa s THR 74 Cb 0.07 -0.40 0.42 0.00 -1.51 0.00 0.00 72.50 71.09 2isa s THR 74 CO 0.83 0.02 1.31 2.29 -2.21 0.00 0.00 174.62 176.87 2isa n LYS 75 N 3.41 2.39 -1.91 7.08 2.85 -0.70 -4.32 118.16 126.96 2isa n LYS 75 Ca -0.17 -1.69 -0.42 0.00 -1.05 0.00 0.00 58.31 54.98 2isa n LYS 75 Cb 0.56 -1.51 -0.03 0.00 -0.65 0.00 0.00 35.03 33.40 2isa n LYS 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2isa s ALA 76 N -1.58 3.78 0.34 0.58 0.00 -1.24 -4.77 121.76 118.87 2isa s ALA 76 Ca 0.31 1.37 0.02 0.00 0.00 0.00 0.00 51.96 53.66 2isa s ALA 76 Cb 0.18 -3.64 0.62 0.00 0.00 0.00 0.00 23.12 20.28 2isa s ALA 76 CO 0.18 -0.83 1.99 0.87 0.00 0.00 0.00 175.76 177.96 2isa h LYS 77 N 6.98 0.87 -0.35 0.00 1.79 -1.93 -1.94 116.57 121.99 2isa h LYS 77 Ca -0.43 -0.05 0.10 0.00 -2.18 0.00 0.00 60.65 58.09 2isa h LYS 77 Cb 1.20 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.64 2isa h LYS 77 CO 0.92 0.57 0.28 0.97 -1.08 0.00 0.00 179.45 181.12 2isa h ILE 78 N 0.89 0.68 -0.31 1.86 2.10 -1.94 -2.04 117.51 118.75 2isa h ILE 78 Ca 0.27 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.21 2isa h ILE 78 Cb -0.01 0.79 0.00 0.00 -1.09 0.00 0.00 36.82 36.51 2isa h ILE 78 CO -0.07 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.49 2isa n PHE 79 N -4.21 0.40 0.06 2.19 3.72 -0.74 -4.75 117.46 114.13 2isa n PHE 79 Ca 0.06 -0.30 0.02 0.00 -0.05 0.00 0.00 57.45 57.18 2isa n PHE 79 Cb 0.46 -0.01 0.36 0.00 -0.94 0.00 0.00 39.48 39.35 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 3.05 0.36 -3.68 4.37 4.64 -1.23 -3.43 113.55 117.63 2isa h SER 80 Ca 0.00 -0.06 -0.25 0.00 -0.47 0.00 0.00 61.79 61.01 2isa h SER 80 Cb 0.77 -0.09 -0.30 0.00 -0.31 0.00 0.00 62.40 62.47 2isa h SER 80 CO 0.00 0.44 -0.72 -1.81 -0.87 0.00 0.00 176.83 173.87 2isa s ASP 81 N -6.80 0.03 0.19 4.97 1.01 -1.26 -4.96 116.67 109.84 2isa s ASP 81 Ca -0.07 0.01 -0.33 0.00 0.71 0.00 0.00 52.55 52.87 2isa s ASP 81 Cb 0.16 -0.02 -0.13 0.00 1.01 0.00 0.00 42.92 43.94 2isa s ASP 81 CO 0.74 -0.03 1.62 -0.38 0.21 0.00 0.00 175.17 177.33 2isa n ILE 82 N 3.36 0.13 -0.02 0.77 5.41 -1.26 -1.85 119.36 125.90 2isa n ILE 82 Ca -0.16 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.56 2isa n ILE 82 Cb 0.57 -1.71 0.00 0.00 -0.71 0.00 0.00 39.64 37.79 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 3.43 1.27 3.71 7.39 0.00 0.13 -4.98 105.19 116.14 2isa n GLY 83 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.57 4.26 -0.13 1.61 2.20 -0.77 -4.72 119.74 121.62 2isa s LYS 84 Ca 0.00 2.20 -0.03 0.00 -0.36 0.00 0.00 55.97 57.78 2isa s LYS 84 Cb 0.00 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 2isa s LYS 84 CO 0.00 -0.56 -0.04 0.15 -0.36 0.00 0.00 175.35 174.54 2isa s LYS 85 N 1.55 3.44 -0.10 4.03 1.02 -1.26 -1.87 119.74 126.55 2isa s LYS 85 Ca 0.68 -0.51 0.02 0.00 0.02 0.00 0.00 55.97 56.18 2isa s LYS 85 Cb -0.39 -2.85 0.01 0.00 -0.52 0.00 0.00 37.83 34.09 2isa s LYS 85 CO 0.30 0.37 -0.16 0.99 -0.92 0.00 0.00 175.35 175.93 2isa s THR 86 N 0.02 1.53 0.67 2.17 2.01 -0.09 -4.97 115.64 116.98 2isa s THR 86 Ca 0.01 -0.68 -0.15 0.00 0.31 0.00 0.00 61.69 61.18 2isa s THR 86 Cb -0.13 -1.38 0.01 0.00 0.01 0.00 0.00 72.50 71.00 2isa s THR 86 CO 0.03 0.45 1.14 -1.81 -0.69 0.00 0.00 174.62 173.73 2isa s ASP 87 N 0.84 4.90 0.21 3.53 1.01 -1.26 -0.65 116.67 125.25 2isa s ASP 87 Ca -0.10 2.10 -0.16 0.00 0.71 0.00 0.00 52.55 55.10 2isa s ASP 87 Cb -0.15 -2.56 0.02 0.00 1.01 0.00 0.00 42.92 41.23 2isa s ASP 87 CO 0.01 -1.78 0.52 0.00 0.21 0.00 0.00 175.17 174.13 2isa s MET 88 N -4.00 1.43 -0.01 8.23 0.23 -0.61 -1.26 119.30 123.31 2isa s MET 88 Ca 0.69 -0.96 0.02 0.00 -1.03 0.00 0.00 55.69 54.41 2isa s MET 88 Cb -0.23 0.51 -0.00 0.00 -1.53 0.00 0.00 34.83 33.58 2isa s MET 88 CO 0.42 -0.60 -0.07 0.12 -2.03 0.00 0.00 175.02 172.85 2isa s PHE 89 N -3.91 0.62 0.04 3.16 5.36 -0.32 -0.90 117.98 122.04 2isa s PHE 89 Ca 0.12 -0.12 0.07 0.00 -0.96 0.00 0.00 56.93 56.04 2isa s PHE 89 Cb -0.01 -0.40 -0.02 0.00 -0.34 0.00 0.00 43.02 42.24 2isa s PHE 89 CO 0.00 -0.01 -0.19 0.00 -1.46 0.00 0.00 175.22 173.55 2isa s ALA 90 N -0.15 1.65 -0.08 11.12 0.00 0.31 -0.58 121.76 134.03 2isa s ALA 90 Ca 0.02 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.99 2isa s ALA 90 Cb -0.03 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.80 2isa s ALA 90 CO -0.00 0.36 -0.11 0.50 0.00 0.00 0.00 175.76 176.51 2isa s ARG 91 N -1.17 1.66 0.17 0.00 3.52 -0.16 -1.22 118.95 121.75 2isa s ARG 91 Ca 0.06 -0.37 0.05 0.00 -0.13 0.00 0.00 55.73 55.35 2isa s ARG 91 Cb -0.09 -1.47 -0.04 0.00 -1.56 0.00 0.00 34.95 31.79 2isa s ARG 91 CO 0.02 -0.07 0.12 -0.06 -0.81 0.00 0.00 175.30 174.50 2isa s PHE 92 N 0.99 3.10 0.10 5.12 0.40 0.56 -1.51 117.98 126.74 2isa s PHE 92 Ca -0.08 -0.04 -0.26 0.00 -0.60 0.00 0.00 56.93 55.95 2isa s PHE 92 Cb -0.15 -1.48 0.08 0.00 0.51 0.00 0.00 43.02 41.98 2isa s PHE 92 CO -0.00 0.52 0.80 -1.54 0.70 0.00 0.00 175.22 175.70 2isa s SER 93 N -3.14 -0.38 0.61 1.36 1.04 -1.12 -0.45 113.70 111.62 2isa s SER 93 Ca 0.31 -0.13 -0.01 0.00 0.48 0.00 0.00 55.95 56.60 2isa s SER 93 Cb -0.10 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.54 2isa s SER 93 CO 0.23 -0.85 0.11 0.35 0.98 0.00 0.00 173.24 174.06 2isa n THR 94 N -0.35 0.00 0.01 2.02 -2.24 -0.72 -0.69 114.28 112.30 2isa n THR 94 Ca -0.10 -0.14 -0.03 0.00 -2.27 0.00 0.00 64.05 61.50 2isa n THR 94 Cb 0.62 -1.54 -0.01 0.00 -2.10 0.00 0.00 70.33 67.30 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 -1.75 1.08 0.08 2.28 0.31 -1.25 -3.95 118.33 115.13 2isa n VAL 95 Ca 0.02 0.24 -0.13 0.00 -0.01 0.00 0.00 64.34 64.46 2isa n VAL 95 Cb 0.06 -1.73 -0.13 0.00 -0.91 0.00 0.00 33.84 31.13 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 -0.24 0.23 -2.83 3.52 0.00 -1.91 -1.38 119.26 116.64 2isa h ALA 96 Ca -0.04 -0.94 -0.52 0.00 0.00 0.00 0.00 54.91 53.41 2isa h ALA 96 Cb 0.45 -0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.32 2isa h ALA 96 CO -0.02 1.11 0.56 0.20 0.00 0.00 0.00 179.25 181.09 2isa s GLY 97 N -4.72 2.86 1.03 0.00 0.00 -1.26 -4.89 107.32 100.34 2isa s GLY 97 Ca -0.03 1.13 -0.17 0.00 0.00 0.00 0.00 44.72 45.65 2isa s GLY 97 CO 0.86 1.65 1.31 -0.54 0.00 0.00 0.00 173.10 176.38 2isa s GLU 98 N -2.52 0.10 0.16 2.90 8.01 -1.26 -3.77 118.70 122.32 2isa s GLU 98 Ca 0.62 -0.45 0.06 0.00 0.01 0.00 0.00 54.97 55.20 2isa s GLU 98 Cb -0.35 -1.79 0.51 0.00 -4.31 0.00 0.00 34.13 28.19 2isa s GLU 98 CO 0.43 -2.77 0.75 0.54 0.01 0.00 0.00 175.26 174.21 2isa n ARG 99 N -4.01 -0.03 -0.10 1.61 1.74 -1.26 -1.73 116.66 112.88 2isa n ARG 99 Ca 0.16 0.68 0.03 0.00 -0.77 0.00 0.00 57.85 57.96 2isa n ARG 99 Cb 0.59 -1.15 0.08 0.00 -1.02 0.00 0.00 32.46 30.96 2isa n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2isa n GLY 100 N -1.18 3.18 3.73 -0.13 0.00 -1.26 -4.83 105.19 104.71 2isa n GLY 100 Ca 0.15 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.31 2.01 0.20 4.61 0.00 -0.71 -4.93 121.76 121.63 2isa s ALA 101 Ca 0.14 0.51 -0.31 0.00 0.00 0.00 0.00 51.96 52.29 2isa s ALA 101 Cb 0.09 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.74 2isa s ALA 101 CO 0.06 -2.04 1.55 0.00 0.00 0.00 0.00 175.76 175.33 2isa s ALA 102 N -2.60 3.76 0.22 0.00 0.00 -1.26 -4.88 121.76 117.00 2isa s ALA 102 Ca 0.66 1.40 -0.08 0.00 0.00 0.00 0.00 51.96 53.93 2isa s ALA 102 Cb -0.21 -3.62 0.21 0.00 0.00 0.00 0.00 23.12 19.51 2isa s ALA 102 CO 0.53 -0.80 1.88 -0.44 0.00 0.00 0.00 175.76 176.93 2isa h ASP 103 N 6.26 0.90 -1.26 0.00 3.32 -1.26 -3.34 116.42 121.06 2isa h ASP 103 Ca -0.44 -0.01 -0.67 0.00 0.02 0.00 0.00 57.03 55.93 2isa h ASP 103 Cb 1.21 -0.21 -0.16 0.00 0.22 0.00 0.00 39.33 40.39 2isa h ASP 103 CO 0.88 0.64 1.62 0.00 -1.72 0.00 0.00 179.24 180.65 2isa n ALA 104 N -2.33 6.63 -2.95 3.45 0.00 -1.26 -4.90 120.51 119.15 2isa n ALA 104 Ca 0.09 -3.81 -0.21 0.00 0.00 0.00 0.00 53.44 49.51 2isa n ALA 104 Cb 0.05 -2.50 -0.02 0.00 0.00 0.00 0.00 19.45 16.98 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 -1.73 3.41 -0.34 0.00 2.02 -1.26 -4.78 118.70 116.02 2isa s GLU 105 Ca 0.54 -0.78 -0.29 0.00 0.02 0.00 0.00 54.97 54.46 2isa s GLU 105 Cb 0.26 -2.87 0.00 0.00 0.10 0.00 0.00 34.13 31.61 2isa s GLU 105 CO -0.15 0.42 1.43 0.50 0.02 0.00 0.00 175.26 177.48 2isa s ARG 106 N -3.98 3.69 -0.23 1.61 3.52 -1.26 -4.61 118.95 117.69 2isa s ARG 106 Ca 0.34 1.17 -0.33 0.00 -0.13 0.00 0.00 55.73 56.78 2isa s ARG 106 Cb -0.09 -3.99 0.16 0.00 -1.56 0.00 0.00 34.95 29.46 2isa s ARG 106 CO 0.29 -1.41 1.25 0.34 -0.81 0.00 0.00 175.30 174.96 2isa s ASP 107 N 3.78 -0.12 0.71 -2.12 2.15 -0.64 -5.03 116.67 115.40 2isa s ASP 107 Ca 0.62 0.06 -0.16 0.00 0.43 0.00 0.00 52.55 53.51 2isa s ASP 107 Cb -0.17 0.11 0.01 0.00 -0.30 0.00 0.00 42.92 42.57 2isa s ASP 107 CO 0.29 -0.16 1.04 -0.38 -0.17 0.00 0.00 175.17 175.79 2isa n ILE 108 N 0.21 3.15 -4.88 4.11 5.41 -1.26 -4.68 119.36 121.42 2isa n ILE 108 Ca -0.00 -0.39 -0.33 0.00 1.00 0.00 0.00 62.75 63.03 2isa n ILE 108 Cb 0.58 -1.17 -0.14 0.00 -0.71 0.00 0.00 39.64 38.19 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 -3.36 3.11 0.42 0.38 1.81 -1.26 -3.78 118.95 116.26 2isa s ARG 109 Ca 0.75 -0.72 -0.25 0.00 -1.72 0.00 0.00 55.73 53.79 2isa s ARG 109 Cb -0.35 -2.51 -0.08 0.00 -0.45 0.00 0.00 34.95 31.55 2isa s ARG 109 CO 0.48 0.31 1.19 0.20 -0.68 0.00 0.00 175.30 176.80 2isa s GLY 110 N 0.08 2.85 -0.40 -3.53 0.00 0.13 -0.08 107.32 106.37 2isa s GLY 110 Ca -0.06 0.99 0.06 0.00 0.00 0.00 0.00 44.72 45.71 2isa s GLY 110 CO 0.05 1.50 0.43 0.33 0.00 0.00 0.00 173.10 175.41 2isa n PHE 111 N -0.08 -0.61 -3.99 1.90 -0.00 0.98 -2.81 117.46 112.85 2isa n PHE 111 Ca 0.05 -3.44 -0.35 0.00 -0.00 0.00 0.00 57.45 53.71 2isa n PHE 111 Cb 0.46 -0.05 -0.10 0.00 -0.00 0.00 0.00 39.48 39.79 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 -0.58 5.48 0.00 -2.13 0.15 -0.57 -1.43 113.70 114.63 2isa s SER 112 Ca 0.34 0.01 0.06 0.00 0.70 0.00 0.00 55.95 57.06 2isa s SER 112 Cb 0.11 -1.95 -0.02 0.00 -1.71 0.00 0.00 66.02 62.45 2isa s SER 112 CO -0.15 0.13 -0.18 -0.76 1.20 0.00 0.00 173.24 173.47 2isa s LEU 113 N 0.63 2.07 -0.18 3.45 1.43 0.93 -0.99 118.68 126.02 2isa s LEU 113 Ca 0.03 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 2isa s LEU 113 Cb -0.13 -0.91 0.04 0.00 0.03 0.00 0.00 46.19 45.21 2isa s LEU 113 CO 0.02 0.20 -0.10 -0.75 0.23 0.00 0.00 176.35 175.94 2isa s LYS 114 N -0.63 1.96 -0.22 1.70 2.20 0.26 -0.32 119.74 124.69 2isa s LYS 114 Ca 0.07 -0.70 -0.07 0.00 -0.36 0.00 0.00 55.97 54.91 2isa s LYS 114 Cb -0.07 -2.24 -0.03 0.00 -1.51 0.00 0.00 37.83 33.97 2isa s LYS 114 CO -0.00 -0.38 0.07 -0.06 -0.36 0.00 0.00 175.35 174.62 2isa s PHE 115 N 1.47 3.15 -1.25 4.03 0.08 0.25 -1.17 117.98 124.54 2isa s PHE 115 Ca 0.01 -0.18 -0.13 0.00 0.12 0.00 0.00 56.93 56.75 2isa s PHE 115 Cb -0.15 -2.17 0.16 0.00 -0.57 0.00 0.00 43.02 40.29 2isa s PHE 115 CO -0.09 -0.12 1.62 0.66 -0.10 0.00 0.00 175.22 177.18 2isa n TYR 116 N 4.30 4.32 -2.34 0.36 4.01 -0.39 -0.62 117.16 126.80 2isa n TYR 116 Ca -0.16 -3.14 -0.25 0.00 -0.16 0.00 0.00 57.90 54.18 2isa n TYR 116 Cb 0.52 -2.17 0.05 0.00 -0.31 0.00 0.00 39.34 37.43 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 1.50 2.88 -0.88 -0.72 -4.23 -0.99 -4.50 115.64 108.71 2isa s THR 117 Ca 0.43 -0.22 0.21 0.00 -1.18 0.00 0.00 61.69 60.93 2isa s THR 117 Cb 0.02 -3.18 0.19 0.00 1.34 0.00 0.00 72.50 70.87 2isa s THR 117 CO 0.01 -0.18 1.66 -1.84 -0.54 0.00 0.00 174.62 173.73 2isa n GLU 118 N -2.71 0.06 -0.80 3.99 0.28 -1.26 -2.57 120.64 117.63 2isa n GLU 118 Ca 0.06 0.21 0.02 0.00 -0.16 0.00 0.00 57.16 57.30 2isa n GLU 118 Cb 0.59 -1.60 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 -1.71 1.78 0.00 3.44 1.02 -1.26 -4.66 120.64 119.25 2isa n GLU 119 Ca 0.04 -3.37 0.00 0.00 -0.02 0.00 0.00 57.16 53.81 2isa n GLU 119 Cb 0.25 -1.65 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 -1.02 3.25 3.65 0.62 0.00 -1.06 -4.58 105.19 106.05 2isa n GLY 120 Ca 0.22 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 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 6.70 -0.43 1.61 0.02 -1.26 -2.34 114.94 119.24 2isa s ASN 121 Ca 0.00 1.92 -0.21 0.00 -1.02 0.00 0.00 52.86 53.55 2isa s ASN 121 Cb 0.00 -2.53 0.02 0.00 0.02 0.00 0.00 41.25 38.76 2isa s ASN 121 CO 0.00 -0.94 0.65 0.86 0.02 0.00 0.00 177.10 177.69 2isa s TRP 122 N 4.10 3.07 -0.26 2.20 -0.00 0.21 -4.41 118.94 123.86 2isa s TRP 122 Ca 0.67 0.00 -0.17 0.00 -0.00 0.00 0.00 56.10 56.59 2isa s TRP 122 Cb -0.28 -3.35 -0.03 0.00 -0.00 0.00 0.00 33.47 29.82 2isa s TRP 122 CO 0.24 -0.85 0.49 -0.51 -0.00 0.00 0.00 176.95 176.33 2isa s ASP 123 N 1.99 6.42 -0.44 5.86 1.01 0.14 -0.58 116.67 131.07 2isa s ASP 123 Ca 0.23 0.50 0.04 0.00 0.71 0.00 0.00 52.55 54.03 2isa s ASP 123 Cb -0.14 -2.27 0.12 0.00 1.01 0.00 0.00 42.92 41.64 2isa s ASP 123 CO 0.19 -0.26 0.16 -0.22 0.21 0.00 0.00 175.17 175.25 2isa s LEU 124 N 2.21 4.49 -0.94 1.23 2.96 0.57 -4.51 118.68 124.68 2isa s LEU 124 Ca 0.20 -2.61 -0.19 0.00 -0.22 0.00 0.00 54.13 51.31 2isa s LEU 124 Cb -0.16 -1.62 0.12 0.00 0.50 0.00 0.00 46.19 45.03 2isa s LEU 124 CO 0.09 -0.30 1.17 0.00 -1.32 0.00 0.00 176.35 175.99 2isa s ALA 125 N 0.27 3.28 0.57 5.97 0.00 -1.26 -0.05 121.76 130.54 2isa s ALA 125 Ca 0.14 -2.70 0.07 0.00 0.00 0.00 0.00 51.96 49.46 2isa s ALA 125 Cb -0.23 -4.11 0.10 0.00 0.00 0.00 0.00 23.12 18.88 2isa s ALA 125 CO -0.04 -3.07 0.78 0.41 0.00 0.00 0.00 175.76 173.84 2isa n GLY 126 N 5.67 1.65 3.47 0.00 0.00 -0.51 -4.94 105.19 110.54 2isa n GLY 126 Ca 0.25 -2.17 -0.23 0.00 0.00 0.00 0.00 46.02 43.87 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 -4.39 2.49 -0.02 1.61 0.01 -0.86 -0.01 114.94 113.76 2isa s ASN 127 Ca 0.57 -1.44 0.01 0.00 -0.71 0.00 0.00 52.86 51.29 2isa s ASN 127 Cb -0.04 0.04 0.07 0.00 0.41 0.00 0.00 41.25 41.74 2isa s ASN 127 CO 0.36 -0.67 0.68 -0.46 -1.51 0.00 0.00 177.10 175.50 2isa n ASN 128 N -0.81 1.66 -3.84 -1.22 6.94 0.88 -0.64 115.26 118.23 2isa n ASN 128 Ca -0.03 -2.09 -0.12 0.00 -0.02 0.00 0.00 54.58 52.31 2isa n ASN 128 Cb 0.66 -0.52 -0.11 0.00 -2.36 0.00 0.00 39.78 37.45 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 -1.05 0.04 -0.97 5.53 -1.32 -1.26 -4.66 115.64 111.95 2isa s THR 129 Ca 0.05 -0.29 0.28 0.00 -1.21 0.00 0.00 61.69 60.52 2isa s THR 129 Cb 0.04 -0.31 0.24 0.00 -1.51 0.00 0.00 72.50 70.96 2isa s THR 129 CO 0.01 -0.16 1.89 -0.81 -2.21 0.00 0.00 174.62 173.35 2isa n PRO 130 N 2.36 0.03 -4.56 7.08 -0.04 -1.26 -4.54 135.00 134.07 2isa n PRO 130 Ca -0.17 0.04 -0.27 0.00 -0.04 0.00 0.00 63.50 63.06 2isa n PRO 130 Cb 0.57 -1.54 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 2isa n PRO 130 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2isa s VAL 131 N -3.01 0.70 0.26 0.52 -7.23 -1.26 -4.40 120.40 105.98 2isa s VAL 131 Ca 0.13 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.29 2isa s VAL 131 Cb 0.18 -2.32 -0.02 0.00 0.56 0.00 0.00 36.38 34.77 2isa s VAL 131 CO 0.53 0.00 0.29 0.12 -0.31 0.00 0.00 175.10 175.72 2isa s PHE 132 N -3.15 1.14 0.24 2.82 5.36 -0.87 -4.96 117.98 118.57 2isa s PHE 132 Ca 0.21 -1.32 0.15 0.00 -0.96 0.00 0.00 56.93 55.01 2isa s PHE 132 Cb 0.02 -0.38 0.56 0.00 -0.34 0.00 0.00 43.02 42.88 2isa s PHE 132 CO 0.13 -0.85 1.70 0.74 -1.46 0.00 0.00 175.22 175.48 2isa h PHE 133 N 2.35 0.00 -3.99 10.12 -1.00 -1.89 -3.38 116.94 119.16 2isa h PHE 133 Ca -0.30 0.00 -0.68 0.00 2.81 0.00 0.00 57.97 59.80 2isa h PHE 133 Cb 1.24 0.00 -0.23 0.00 3.61 0.00 0.00 35.95 40.58 2isa h PHE 133 CO 0.88 0.47 -0.87 -0.51 -1.61 0.00 0.00 178.31 176.68 2isa s LEU 134 N -7.42 2.29 -0.02 1.54 1.43 -1.26 -3.17 118.68 112.07 2isa s LEU 134 Ca -0.01 -0.71 0.19 0.00 -1.03 0.00 0.00 54.13 52.57 2isa s LEU 134 Cb 0.12 -1.20 -0.21 0.00 0.03 0.00 0.00 46.19 44.93 2isa s LEU 134 CO 0.72 0.18 0.56 0.54 0.23 0.00 0.00 176.35 178.59 2isa n ARG 135 N 1.10 0.65 -4.84 1.70 1.74 -1.26 -4.39 116.66 111.35 2isa n ARG 135 Ca -0.18 0.05 -0.27 0.00 -0.77 0.00 0.00 57.85 56.68 2isa n ARG 135 Cb 0.53 -1.66 -0.17 0.00 -1.02 0.00 0.00 32.46 30.14 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 -5.36 2.28 0.55 0.55 -1.08 -1.26 -3.92 116.67 108.43 2isa s ASP 136 Ca -0.06 -0.40 0.36 0.00 -0.52 0.00 0.00 52.55 51.94 2isa s ASP 136 Cb 0.09 -1.00 1.78 0.00 -1.46 0.00 0.00 42.92 42.33 2isa s ASP 136 CO 0.84 0.09 2.10 1.55 0.52 0.00 0.00 175.17 180.27 2isa h PRO 137 N 6.79 0.00 -0.01 4.34 0.13 -1.88 -2.34 132.00 139.03 2isa h PRO 137 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2isa h PRO 137 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2isa h PRO 137 CO 0.47 0.00 0.01 -0.07 -0.23 0.00 0.00 178.00 178.18 2isa h LEU 138 N 0.00 0.00 -0.02 1.56 3.38 -1.96 -2.03 115.31 116.24 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 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2isa h LEU 138 CO 0.00 0.00 -0.13 0.29 0.09 0.00 0.00 178.44 178.69 2isa n LYS 139 N -3.83 0.08 -0.04 1.13 4.76 -0.88 -4.32 118.16 115.06 2isa n LYS 139 Ca -0.03 -0.02 -0.10 0.00 -2.87 0.00 0.00 58.31 55.29 2isa n LYS 139 Cb 0.09 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.74 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 0.04 0.25 -0.23 2.13 3.57 -1.53 -0.64 116.94 120.53 2isa h PHE 140 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2isa h PHE 140 Cb 0.48 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2isa h PHE 140 CO 0.00 0.18 0.01 -1.35 -2.23 0.00 0.00 178.31 174.93 2isa h PRO 141 N 0.24 0.33 -0.64 6.41 0.11 -1.80 -1.62 132.00 135.04 2isa h PRO 141 Ca 0.07 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 2isa h PRO 141 Cb 0.00 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.03 2isa h PRO 141 CO -0.01 0.35 0.25 -0.44 -0.21 0.00 0.00 178.00 177.94 2isa h ASP 142 N 0.33 0.90 0.04 -2.05 3.32 -1.70 -1.49 116.42 115.76 2isa h ASP 142 Ca 0.08 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 56.96 2isa h ASP 142 Cb 0.21 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2isa h ASP 142 CO 0.00 0.83 -0.06 0.25 -1.72 0.00 0.00 179.24 178.54 2isa h LEU 143 N 0.91 -0.17 -0.46 1.55 5.85 -0.57 -0.93 115.31 121.49 2isa h LEU 143 Ca 0.21 0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.05 2isa h LEU 143 Cb 0.22 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.22 2isa h LEU 143 CO -0.02 -0.10 -0.16 -1.13 -0.34 0.00 0.00 178.44 176.70 2isa h ASN 144 N -0.13 -0.57 0.95 1.25 -0.73 -1.20 -0.19 115.58 114.95 2isa h ASN 144 Ca 0.01 0.15 -0.02 0.00 1.87 0.00 0.00 56.30 58.31 2isa h ASN 144 Cb 0.14 0.34 -0.00 0.00 0.27 0.00 0.00 38.32 39.07 2isa h ASN 144 CO -0.04 -0.20 -0.11 0.45 -0.37 0.00 0.00 177.43 177.16 2isa h HIS 145 N -0.06 0.00 0.07 0.67 3.86 -1.04 -1.32 115.15 117.34 2isa h HIS 145 Ca 0.22 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 59.12 2isa h HIS 145 Cb 0.40 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.84 2isa h HIS 145 CO -0.44 0.11 -1.67 0.00 0.86 0.00 0.00 177.93 176.80 2isa h ALA 146 N 1.89 0.49 0.00 2.45 0.00 -0.38 -3.39 119.26 120.33 2isa h ALA 146 Ca -0.00 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 53.62 2isa h ALA 146 Cb 0.61 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2isa h ALA 146 CO 0.01 1.35 -0.85 1.33 0.00 0.00 0.00 179.25 181.10 2isa n VAL 147 N -3.31 0.03 -0.95 0.00 0.24 -0.16 -2.75 118.33 111.42 2isa n VAL 147 Ca -0.19 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 2isa n VAL 147 Cb 1.04 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 34.00 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 -1.59 3.83 -2.93 7.34 5.02 -0.51 -4.87 118.16 124.45 2isa n LYS 148 Ca 0.04 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.93 2isa n LYS 148 Cb 0.35 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.32 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 3.92 4.53 0.43 1.97 0.52 -1.26 -4.09 118.95 124.96 2isa s ARG 149 Ca 0.00 1.14 -0.26 0.00 -0.52 0.00 0.00 55.73 56.09 2isa s ARG 149 Cb 0.00 -3.38 -0.09 0.00 0.52 0.00 0.00 34.95 32.00 2isa s ARG 149 CO 0.00 0.24 1.36 -3.47 0.02 0.00 0.00 175.30 173.45 2isa n ASP 150 N 2.92 3.01 0.29 0.23 -0.08 -0.50 -4.83 116.55 117.59 2isa n ASP 150 Ca -0.01 1.13 0.14 0.00 -1.51 0.00 0.00 54.79 54.54 2isa n ASP 150 Cb 0.50 -1.55 0.86 0.00 2.34 0.00 0.00 41.12 43.26 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 2.28 0.00 0.00 -0.67 0.11 -1.93 -1.73 132.00 130.06 2isa h PRO 151 Ca -0.49 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.26 2isa h PRO 151 Cb 1.28 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.33 2isa h PRO 151 CO 0.61 0.00 -2.01 -2.13 -0.21 0.00 0.00 178.00 174.25 2isa n ARG 152 N -4.00 0.58 0.22 1.05 0.63 -1.26 -4.59 116.66 109.29 2isa n ARG 152 Ca -0.03 0.37 0.12 0.00 -0.92 0.00 0.00 57.85 57.39 2isa n ARG 152 Cb 0.09 -1.58 0.32 0.00 0.45 0.00 0.00 32.46 31.73 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 0.22 -3.23 5.15 1.35 -1.95 -3.46 112.91 109.98 2isa h THR 153 Ca -0.55 -1.09 -0.32 0.00 -0.55 0.00 0.00 66.41 63.91 2isa h THR 153 Cb 1.47 1.91 -0.03 0.00 -1.73 0.00 0.00 68.15 69.77 2isa h THR 153 CO -0.33 0.11 -0.40 -3.20 -0.25 0.00 0.00 175.52 171.45 2isa n ASN 154 N -3.16 -4.73 -4.14 5.36 5.15 -0.65 -4.96 115.26 108.12 2isa n ASN 154 Ca 0.02 0.13 -0.13 0.00 -0.60 0.00 0.00 54.58 54.01 2isa n ASN 154 Cb 0.49 -4.01 -0.11 0.00 -0.53 0.00 0.00 39.78 35.62 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 -4.86 0.74 0.59 1.20 -1.94 -1.26 -4.82 119.30 108.96 2isa s MET 155 Ca 0.00 -1.09 -0.19 0.00 -1.71 0.00 0.00 55.69 52.70 2isa s MET 155 Cb 0.00 -0.35 -0.05 0.00 2.01 0.00 0.00 34.83 36.44 2isa s MET 155 CO 0.00 0.04 1.09 0.54 -0.01 0.00 0.00 175.02 176.68 2isa n ARG 156 N 0.64 1.10 -3.89 2.03 1.74 -1.26 -1.41 116.66 115.61 2isa n ARG 156 Ca -0.17 0.42 -0.28 0.00 -0.77 0.00 0.00 57.85 57.05 2isa n ARG 156 Cb 0.58 -2.29 -0.16 0.00 -1.02 0.00 0.00 32.46 29.57 2isa n ARG 156 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2isa s SER 157 N -1.18 2.88 0.20 0.55 0.15 -1.26 -4.86 113.70 110.19 2isa s SER 157 Ca 0.75 -0.69 -0.10 0.00 0.70 0.00 0.00 55.95 56.61 2isa s SER 157 Cb -0.42 -0.92 0.23 0.00 -1.71 0.00 0.00 66.02 63.21 2isa s SER 157 CO 0.47 -0.19 1.79 0.00 1.20 0.00 0.00 173.24 176.51 2isa h ALA 158 N 8.11 0.82 0.20 5.45 0.00 -1.92 0.39 119.26 132.31 2isa h ALA 158 Ca -0.24 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2isa h ALA 158 Cb 1.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2isa h ALA 158 CO 0.40 -0.05 -0.23 -0.22 0.00 0.00 0.00 179.25 179.16 2isa h LYS 159 N 0.57 -0.45 0.01 0.00 3.11 -1.94 0.12 116.57 118.00 2isa h LYS 159 Ca 0.29 0.03 0.02 0.00 -2.81 0.00 0.00 60.65 58.18 2isa h LYS 159 Cb 0.23 0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.54 2isa h LYS 159 CO -0.21 -0.30 -0.14 -0.91 -2.81 0.00 0.00 179.45 175.08 2isa h ASN 160 N -0.47 -0.40 -0.04 4.20 -0.26 -1.81 0.34 115.58 117.14 2isa h ASN 160 Ca 0.01 0.06 0.02 0.00 -0.56 0.00 0.00 56.30 55.83 2isa h ASN 160 Cb 0.45 0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.85 2isa h ASN 160 CO -0.07 -0.20 -0.11 -1.13 -1.06 0.00 0.00 177.43 174.87 2isa h ASN 161 N -0.24 -0.32 1.23 5.81 -0.73 -0.73 -2.79 115.58 117.82 2isa h ASN 161 Ca 0.04 0.05 -0.15 0.00 1.87 0.00 0.00 56.30 58.11 2isa h ASN 161 Cb 0.29 0.14 -0.02 0.00 0.27 0.00 0.00 38.32 39.00 2isa h ASN 161 CO -0.13 -0.15 -0.79 -0.50 -0.37 0.00 0.00 177.43 175.50 2isa h TRP 162 N -0.17 0.00 -0.29 0.67 4.06 -0.60 -2.08 115.95 117.55 2isa h TRP 162 Ca 0.05 0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.03 2isa h TRP 162 Cb 0.24 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.37 2isa h TRP 162 CO -0.19 0.70 0.12 0.22 -3.56 0.00 0.00 178.44 175.73 2isa h ASP 163 N 0.00 0.15 0.15 -3.49 3.58 -0.30 -1.69 116.42 114.82 2isa h ASP 163 Ca -0.03 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2isa h ASP 163 Cb 1.56 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.61 2isa h ASP 163 CO 0.09 0.12 -0.07 0.15 -2.88 0.00 0.00 179.24 176.65 2isa h PHE 164 N 0.26 -0.19 -0.61 0.28 3.57 -1.44 -2.25 116.94 116.56 2isa h PHE 164 Ca 0.12 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.67 2isa h PHE 164 Cb 0.07 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 2isa h PHE 164 CO -0.12 0.14 0.34 -1.49 -2.23 0.00 0.00 178.31 174.96 2isa h TRP 165 N -0.53 0.63 0.00 0.41 6.55 -1.39 -1.58 115.95 120.04 2isa h TRP 165 Ca -0.02 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2isa h TRP 165 Cb 0.41 -0.20 0.00 0.00 -0.86 0.00 0.00 29.16 28.52 2isa h TRP 165 CO 0.03 0.32 0.00 0.25 -1.05 0.00 0.00 178.44 177.99 2isa n THR 166 N -4.80 0.72 0.77 1.49 -2.24 -0.64 -1.86 114.28 107.72 2isa n THR 166 Ca 0.07 0.07 0.13 0.00 -2.27 0.00 0.00 64.05 62.04 2isa n THR 166 Cb 0.14 -0.92 0.36 0.00 -2.10 0.00 0.00 70.33 67.80 2isa n THR 166 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2isa n SER 167 N -2.08 0.52 -3.96 3.42 7.64 -0.61 -4.46 113.62 114.09 2isa n SER 167 Ca 0.04 0.26 -0.30 0.00 1.01 0.00 0.00 58.87 59.87 2isa n SER 167 Cb 0.29 -0.23 -0.14 0.00 -1.01 0.00 0.00 64.21 63.12 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 -3.77 4.40 0.49 -3.43 1.43 -0.78 -4.98 118.68 112.05 2isa s LEU 168 Ca 0.10 -3.05 0.24 0.00 -1.03 0.00 0.00 54.13 50.39 2isa s LEU 168 Cb 0.15 -1.66 1.31 0.00 0.03 0.00 0.00 46.19 46.03 2isa s LEU 168 CO 0.64 -0.23 1.92 1.55 0.23 0.00 0.00 176.35 180.46 2isa h PRO 169 N 6.47 0.14 -0.01 1.29 0.13 -1.78 -0.16 132.00 138.08 2isa h PRO 169 Ca -0.06 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2isa h PRO 169 Cb 0.89 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 2isa h PRO 169 CO 0.69 0.09 0.03 1.05 -0.23 0.00 0.00 178.00 179.64 2isa h GLU 170 N 0.14 0.00 0.00 0.86 9.09 -1.87 -2.54 114.58 120.26 2isa h GLU 170 Ca 0.37 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.78 2isa h GLU 170 Cb 1.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.33 2isa h GLU 170 CO -0.05 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.01 2isa n ALA 171 N -2.15 1.81 -0.28 1.06 0.00 -0.07 -4.01 120.51 116.86 2isa n ALA 171 Ca -0.03 0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 2isa n ALA 171 Cb 0.11 -1.36 0.11 0.00 0.00 0.00 0.00 19.45 18.31 2isa n ALA 171 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2isa h LEU 172 N 0.00 0.80 -0.16 0.00 5.85 -1.63 0.07 115.31 120.24 2isa h LEU 172 Ca 0.00 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.78 2isa h LEU 172 Cb 0.39 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 2isa h LEU 172 CO 0.00 0.54 -0.31 -0.74 -0.34 0.00 0.00 178.44 177.59 2isa h HIS 173 N 0.94 -0.84 -0.05 1.25 2.76 -1.82 0.26 115.15 117.63 2isa h HIS 173 Ca 0.33 0.04 -0.18 0.00 -2.20 0.00 0.00 60.37 58.36 2isa h HIS 173 Cb 0.07 0.40 -0.01 0.00 1.55 0.00 0.00 27.41 29.42 2isa h HIS 173 CO -0.04 -0.38 -0.73 0.37 -1.30 0.00 0.00 177.93 175.85 2isa h GLN 174 N -0.36 0.31 -0.87 5.26 5.75 -1.66 -2.51 115.11 121.03 2isa h GLN 174 Ca 0.11 -0.26 0.04 0.00 -0.15 0.00 0.00 58.65 58.38 2isa h GLN 174 Cb 0.53 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 29.08 2isa h GLN 174 CO -0.37 0.91 0.56 0.28 -2.65 0.00 0.00 178.83 177.57 2isa h VAL 175 N 0.21 1.13 -0.52 2.39 2.07 -0.71 -0.16 116.25 120.65 2isa h VAL 175 Ca -0.03 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 2isa h VAL 175 Cb 1.30 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 2isa h VAL 175 CO 0.12 0.20 0.32 0.74 0.02 0.00 0.00 177.57 178.97 2isa h THR 176 N 1.08 1.15 -0.07 2.57 2.02 -0.26 -0.80 112.91 118.60 2isa h THR 176 Ca 0.35 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 2isa h THR 176 Cb 0.03 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 2isa h THR 176 CO -0.13 0.15 0.01 0.40 0.37 0.00 0.00 175.52 176.32 2isa h ILE 177 N 0.70 1.23 0.00 3.11 2.04 -1.14 -1.57 117.51 121.88 2isa h ILE 177 Ca 0.19 -0.71 -0.05 0.00 1.00 0.00 0.00 64.86 65.28 2isa h ILE 177 Cb -0.03 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2isa h ILE 177 CO -0.04 0.20 -0.25 1.62 0.00 0.00 0.00 178.15 179.68 2isa h VAL 178 N -0.15 0.98 -0.00 1.67 3.04 -0.87 -1.36 116.25 119.56 2isa h VAL 178 Ca 0.02 -0.91 0.00 0.00 -1.01 0.00 0.00 66.70 64.80 2isa h VAL 178 Cb 0.31 1.52 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 2isa h VAL 178 CO 0.00 0.24 -0.26 0.23 -1.01 0.00 0.00 177.57 176.78 2isa n MET 179 N -3.96 0.10 -1.46 4.17 2.81 -0.32 -4.05 117.12 114.42 2isa n MET 179 Ca -0.02 -0.04 -0.26 0.00 -1.81 0.00 0.00 57.70 55.58 2isa n MET 179 Cb 0.33 -1.50 0.19 0.00 -0.71 0.00 0.00 33.22 31.53 2isa n MET 179 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2isa n SER 180 N -1.42 -0.45 0.28 7.83 3.41 -0.51 -4.40 113.62 118.35 2isa n SER 180 Ca 0.07 -1.33 0.16 0.00 -0.26 0.00 0.00 58.87 57.51 2isa n SER 180 Cb 0.33 -0.88 0.78 0.00 -0.26 0.00 0.00 64.21 64.18 2isa n SER 180 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2isa h ASP 181 N -1.78 0.00 0.01 4.04 2.03 -1.87 -1.93 116.42 116.92 2isa h ASP 181 Ca -0.37 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.93 2isa h ASP 181 Cb 1.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.55 2isa h ASP 181 CO 0.26 0.07 0.00 0.54 -1.03 0.00 0.00 179.24 179.08 2isa n ARG 182 N -3.34 0.84 0.28 4.15 1.74 -1.26 -3.62 116.66 115.45 2isa n ARG 182 Ca -0.01 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.20 2isa n ARG 182 Cb 0.25 -1.50 0.80 0.00 -1.02 0.00 0.00 32.46 30.99 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 4.28 0.00 -6.94 -0.13 0.00 -1.43 -3.36 103.07 95.49 2isa h GLY 183 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 2isa h GLY 183 CO 0.00 0.00 -0.76 -0.42 0.00 0.00 0.00 176.54 175.36 2isa s ILE 184 N -4.45 1.01 0.36 2.60 1.01 -1.24 -1.62 121.20 118.88 2isa s ILE 184 Ca -0.04 -2.11 -0.28 0.00 0.00 0.00 0.00 60.65 58.22 2isa s ILE 184 Cb 0.14 -1.73 -0.11 0.00 0.01 0.00 0.00 42.46 40.77 2isa s ILE 184 CO 0.57 -0.87 1.45 -2.65 0.00 0.00 0.00 174.94 173.45 2isa n PRO 185 N 3.95 2.55 0.06 2.79 -0.02 -1.26 -1.06 135.00 142.00 2isa n PRO 185 Ca 0.07 0.89 -0.03 0.00 -2.02 0.00 0.00 63.50 62.42 2isa n PRO 185 Cb 0.37 -2.59 0.22 0.00 -0.02 0.00 0.00 33.50 31.47 2isa n PRO 185 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2isa h ALA 186 N 2.96 1.12 -2.81 3.55 0.00 -0.76 -3.43 119.26 119.89 2isa h ALA 186 Ca -0.49 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 53.97 2isa h ALA 186 Cb 1.25 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 2isa h ALA 186 CO 0.64 0.56 -0.16 0.95 0.00 0.00 0.00 179.25 181.24 2isa s THR 187 N -4.34 0.00 0.31 0.00 -4.23 -1.26 -4.93 115.64 101.20 2isa s THR 187 Ca -0.06 -1.46 0.32 0.00 -1.18 0.00 0.00 61.69 59.31 2isa s THR 187 Cb 0.14 -2.24 0.35 0.00 1.34 0.00 0.00 72.50 72.08 2isa s THR 187 CO 0.78 0.00 2.06 1.88 -0.54 0.00 0.00 174.62 178.80 2isa h TYR 188 N 2.28 0.00 0.00 3.99 0.05 -1.87 -2.89 116.97 118.52 2isa h TYR 188 Ca -0.27 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.51 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 0.41 0.07 0.00 0.00 -1.05 0.00 0.00 178.16 177.60 2isa h ARG 189 N 0.00 0.00 -0.98 4.88 3.08 -1.96 -3.32 114.38 116.09 2isa h ARG 189 Ca -0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.44 2isa h ARG 189 Cb 0.39 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 30.07 2isa h ARG 189 CO 0.01 0.00 -0.21 0.72 -1.07 0.00 0.00 179.97 179.42 2isa n HIS 190 N -2.73 2.98 -4.07 3.04 8.25 -1.09 -4.44 115.22 117.16 2isa n HIS 190 Ca 0.04 -2.56 -0.09 0.00 -0.26 0.00 0.00 57.72 54.85 2isa n HIS 190 Cb 0.44 -0.68 -0.10 0.00 1.12 0.00 0.00 29.99 30.76 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 -3.69 0.55 0.56 -0.41 0.23 -1.25 -2.48 119.30 112.82 2isa s MET 191 Ca 0.55 -1.00 -0.05 0.00 -1.03 0.00 0.00 55.69 54.16 2isa s MET 191 Cb 0.44 0.05 0.00 0.00 -1.53 0.00 0.00 34.83 33.79 2isa s MET 191 CO -0.03 -0.06 0.86 -1.01 -2.03 0.00 0.00 175.02 172.76 2isa s HIS 192 N -2.82 3.26 0.14 3.16 0.09 -1.26 -4.40 115.29 113.46 2isa s HIS 192 Ca -0.01 0.59 0.08 0.00 -0.00 0.00 0.00 55.06 55.71 2isa s HIS 192 Cb -0.00 -2.65 -0.04 0.00 -0.00 0.00 0.00 32.58 29.89 2isa s HIS 192 CO -0.05 -0.73 -0.19 0.20 -0.00 0.00 0.00 174.74 173.97 2isa s GLY 193 N -4.28 1.31 -0.02 -2.22 0.00 0.09 -4.12 107.32 98.07 2isa s GLY 193 Ca 0.53 -1.38 -0.05 0.00 0.00 0.00 0.00 44.72 43.81 2isa s GLY 193 CO 0.44 -1.42 0.12 -1.36 0.00 0.00 0.00 173.10 170.88 2isa s PHE 194 N -1.74 -0.03 0.36 1.90 0.40 0.18 0.79 117.98 119.84 2isa s PHE 194 Ca 0.12 0.08 0.26 0.00 -0.60 0.00 0.00 56.93 56.79 2isa s PHE 194 Cb -0.07 -0.01 1.33 0.00 0.51 0.00 0.00 43.02 44.77 2isa s PHE 194 CO 0.05 -0.17 2.02 0.78 0.70 0.00 0.00 175.22 178.60 2isa h GLY 195 N 5.16 0.00 0.00 4.36 0.00 -1.56 -2.29 103.07 108.73 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 0.41 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.39 2isa n SER 196 N -3.61 0.00 -4.76 0.19 7.64 -1.26 -4.77 113.62 107.05 2isa n SER 196 Ca -0.01 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.53 2isa n SER 196 Cb 0.28 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.52 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 2.54 0.16 1.43 3.76 -1.26 -4.76 115.29 117.16 2isa s HIS 197 Ca 0.00 1.55 -0.31 0.00 -0.15 0.00 0.00 55.06 56.15 2isa s HIS 197 Cb 0.00 -3.25 -0.09 0.00 1.11 0.00 0.00 32.58 30.34 2isa s HIS 197 CO 0.00 -1.83 1.47 0.99 -0.85 0.00 0.00 174.74 174.52 2isa s THR 198 N -2.13 2.91 0.00 1.30 2.01 -1.26 -4.62 115.64 113.85 2isa s THR 198 Ca 0.70 0.67 0.00 0.00 0.31 0.00 0.00 61.69 63.37 2isa s THR 198 Cb -0.23 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 68.85 2isa s THR 198 CO 0.39 0.06 0.00 0.49 -0.69 0.00 0.00 174.62 174.87 2isa n PHE 199 N 3.64 -0.00 -3.96 4.92 3.01 0.38 -4.24 117.46 121.21 2isa n PHE 199 Ca 0.11 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.48 2isa n PHE 199 Cb 0.40 0.00 -0.11 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 0.81 0.20 -0.02 4.37 1.04 -0.44 -1.50 113.70 118.17 2isa s SER 200 Ca 0.00 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 55.98 2isa s SER 200 Cb 0.00 0.14 -0.03 0.00 0.10 0.00 0.00 66.02 66.23 2isa s SER 200 CO 0.00 -0.36 -0.06 -0.36 0.98 0.00 0.00 173.24 173.44 2isa s PHE 201 N -1.72 2.92 -0.13 5.02 0.08 0.27 -0.57 117.98 123.85 2isa s PHE 201 Ca -0.13 -0.01 0.01 0.00 0.12 0.00 0.00 56.93 56.91 2isa s PHE 201 Cb -0.07 -1.64 0.02 0.00 -0.57 0.00 0.00 43.02 40.76 2isa s PHE 201 CO -0.01 0.37 -0.14 0.42 -0.10 0.00 0.00 175.22 175.76 2isa s ILE 202 N -0.95 1.47 0.78 0.64 -1.09 0.01 -1.31 121.20 120.74 2isa s ILE 202 Ca 0.16 -0.59 -0.03 0.00 -2.23 0.00 0.00 60.65 57.97 2isa s ILE 202 Cb -0.11 -1.38 0.16 0.00 -1.58 0.00 0.00 42.46 39.54 2isa s ILE 202 CO 0.06 0.44 1.07 0.54 -1.23 0.00 0.00 174.94 175.82 2isa s ASN 203 N 1.36 4.01 0.51 3.58 2.20 -0.70 -1.72 114.94 124.18 2isa s ASN 203 Ca 0.01 -0.40 0.31 0.00 -0.94 0.00 0.00 52.86 51.84 2isa s ASN 203 Cb -0.13 0.17 1.44 0.00 -2.00 0.00 0.00 41.25 40.72 2isa s ASN 203 CO -0.08 -2.11 1.83 0.28 -2.94 0.00 0.00 177.10 174.08 2isa h SER 204 N -0.76 0.09 -0.53 3.54 0.02 -1.88 -0.98 113.55 113.06 2isa h SER 204 Ca -0.36 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2isa h SER 204 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2isa h SER 204 CO 0.37 0.02 0.00 0.47 -1.14 0.00 0.00 176.83 176.55 2isa n ASP 205 N -4.30 5.20 -2.18 3.07 8.00 -1.26 -4.91 116.55 120.17 2isa n ASP 205 Ca 0.23 -2.79 -0.15 0.00 0.71 0.00 0.00 54.79 52.78 2isa n ASP 205 Cb 1.08 -0.66 -0.02 0.00 -0.02 0.00 0.00 41.12 41.50 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 0.61 -4.47 -4.83 -2.24 4.13 -0.37 -4.98 115.26 103.12 2isa n ASN 206 Ca 0.25 0.19 -0.35 0.00 1.68 0.00 0.00 54.58 56.34 2isa n ASN 206 Cb 1.08 -3.84 -0.06 0.00 -1.54 0.00 0.00 39.78 35.42 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 -4.60 4.13 -0.12 3.52 2.02 -1.26 -4.70 118.70 117.69 2isa s GLU 207 Ca 0.00 0.71 -0.02 0.00 0.02 0.00 0.00 54.97 55.68 2isa s GLU 207 Cb 0.00 -2.85 -0.03 0.00 0.10 0.00 0.00 34.13 31.35 2isa s GLU 207 CO 0.00 0.40 -0.06 0.50 0.02 0.00 0.00 175.26 176.12 2isa s ARG 208 N -2.07 3.30 0.07 1.61 3.52 -1.26 -1.73 118.95 122.40 2isa s ARG 208 Ca 0.42 -0.55 0.09 0.00 -0.13 0.00 0.00 55.73 55.56 2isa s ARG 208 Cb -0.15 -2.76 -0.03 0.00 -1.56 0.00 0.00 34.95 30.44 2isa s ARG 208 CO 0.20 0.40 -0.24 0.71 -0.81 0.00 0.00 175.30 175.56 2isa s TYR 209 N -0.08 2.05 0.18 5.12 1.51 -0.43 -3.64 117.35 122.06 2isa s TYR 209 Ca 0.01 -0.39 -0.22 0.00 -1.01 0.00 0.00 57.07 55.45 2isa s TYR 209 Cb -0.13 -1.18 -0.08 0.00 -0.11 0.00 0.00 41.96 40.46 2isa s TYR 209 CO 0.03 0.17 0.74 -1.58 -1.11 0.00 0.00 175.55 173.79 2isa s TRP 210 N -0.92 3.78 0.02 2.71 0.52 0.44 -0.57 118.94 124.92 2isa s TRP 210 Ca 0.10 1.49 0.02 0.00 0.02 0.00 0.00 56.10 57.73 2isa s TRP 210 Cb -0.10 -2.68 -0.01 0.00 -1.15 0.00 0.00 33.47 29.53 2isa s TRP 210 CO 0.03 0.44 -0.06 0.54 0.02 0.00 0.00 176.95 177.93 2isa s VAL 211 N -1.31 0.39 -0.05 4.03 0.11 -0.56 -0.59 120.40 122.42 2isa s VAL 211 Ca 0.38 -0.63 0.06 0.00 -2.93 0.00 0.00 61.98 58.86 2isa s VAL 211 Cb -0.20 -0.41 -0.02 0.00 -1.53 0.00 0.00 36.38 34.22 2isa s VAL 211 CO 0.23 -0.17 -0.21 -0.54 -3.33 0.00 0.00 175.10 171.08 2isa s LYS 212 N -0.86 2.43 -0.17 1.54 -0.14 -0.63 -0.47 119.74 121.44 2isa s LYS 212 Ca -0.05 -0.83 -0.08 0.00 -1.36 0.00 0.00 55.97 53.65 2isa s LYS 212 Cb -0.06 -2.22 -0.04 0.00 -1.68 0.00 0.00 37.83 33.83 2isa s LYS 212 CO -0.00 0.51 0.09 -0.06 -0.76 0.00 0.00 175.35 175.13 2isa s PHE 213 N -0.48 3.33 -0.05 3.18 0.08 -1.26 -1.46 117.98 121.32 2isa s PHE 213 Ca 0.06 0.21 0.04 0.00 0.12 0.00 0.00 56.93 57.35 2isa s PHE 213 Cb -0.11 -2.07 0.00 0.00 -0.57 0.00 0.00 43.02 40.27 2isa s PHE 213 CO 0.01 0.28 -0.16 -1.01 -0.10 0.00 0.00 175.22 174.24 2isa s HIS 214 N 0.13 1.68 -0.30 0.36 3.76 0.09 -1.49 115.29 119.52 2isa s HIS 214 Ca 0.06 -0.54 0.01 0.00 -0.15 0.00 0.00 55.06 54.45 2isa s HIS 214 Cb -0.12 -1.16 0.07 0.00 1.11 0.00 0.00 32.58 32.48 2isa s HIS 214 CO 0.00 -0.22 -0.03 -0.06 -0.85 0.00 0.00 174.74 173.58 2isa s PHE 215 N 0.24 3.38 -0.30 1.40 0.40 0.24 -0.62 117.98 122.71 2isa s PHE 215 Ca -0.08 -2.32 -0.17 0.00 -0.60 0.00 0.00 56.93 53.76 2isa s PHE 215 Cb -0.13 -2.24 -0.02 0.00 0.51 0.00 0.00 43.02 41.14 2isa s PHE 215 CO 0.03 -0.88 0.48 0.08 0.70 0.00 0.00 175.22 175.64 2isa s VAL 216 N 1.11 5.07 0.13 -0.44 1.01 -0.06 -0.73 120.40 126.49 2isa s VAL 216 Ca -0.03 0.56 -0.31 0.00 0.00 0.00 0.00 61.98 62.20 2isa s VAL 216 Cb -0.20 -3.86 -0.10 0.00 0.00 0.00 0.00 36.38 32.22 2isa s VAL 216 CO -0.04 -0.04 1.65 -0.55 0.00 0.00 0.00 175.10 176.11 2isa s SER 217 N 1.66 6.55 0.00 3.32 0.15 -1.26 -0.57 113.70 123.55 2isa s SER 217 Ca 0.19 2.61 0.32 0.00 0.70 0.00 0.00 55.95 59.77 2isa s SER 217 Cb -0.16 -2.58 1.86 0.00 -1.71 0.00 0.00 66.02 63.43 2isa s SER 217 CO 0.11 -0.88 2.20 0.00 1.20 0.00 0.00 173.24 175.87 2isa n GLN 218 N 4.75 1.01 -0.00 5.44 6.02 -0.35 -3.08 117.38 131.18 2isa n GLN 218 Ca 0.15 -0.04 0.10 0.00 -0.01 0.00 0.00 57.00 57.20 2isa n GLN 218 Cb 0.39 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 30.02 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 -0.96 0.32 0.00 -1.09 3.00 -1.26 -4.97 117.38 112.42 2isa n GLN 219 Ca 0.23 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 2isa n GLN 219 Cb 0.13 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 28.89 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 1.44 -0.67 3.72 1.08 0.00 -1.18 -4.92 105.19 104.67 2isa n GLY 220 Ca 0.02 -1.73 -0.36 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.37 5.32 -0.02 -0.61 -1.09 -1.26 -4.15 121.20 118.03 2isa s ILE 221 Ca 0.00 0.46 0.00 0.00 -2.23 0.00 0.00 60.65 58.89 2isa s ILE 221 Cb 0.00 -3.60 0.02 0.00 -1.58 0.00 0.00 42.46 37.30 2isa s ILE 221 CO 0.00 0.38 -0.00 -0.54 -1.23 0.00 0.00 174.94 173.55 2isa s LYS 222 N 0.56 0.23 0.27 2.79 1.02 -1.03 -5.04 119.74 118.53 2isa s LYS 222 Ca 0.14 0.04 0.06 0.00 0.02 0.00 0.00 55.97 56.23 2isa s LYS 222 Cb -0.13 -0.37 -0.06 0.00 -0.52 0.00 0.00 37.83 36.76 2isa s LYS 222 CO 0.03 -0.09 -0.03 -0.80 -0.92 0.00 0.00 175.35 173.54 2isa s ASN 223 N 0.71 2.51 -0.00 2.83 0.01 -1.26 -0.09 114.94 119.65 2isa s ASN 223 Ca -0.07 -1.22 0.06 0.00 -0.71 0.00 0.00 52.86 50.92 2isa s ASN 223 Cb -0.10 -0.12 -0.03 0.00 0.41 0.00 0.00 41.25 41.41 2isa s ASN 223 CO -0.01 -0.41 -0.18 -0.76 -1.51 0.00 0.00 177.10 174.22 2isa s LEU 224 N -3.42 2.55 0.78 0.60 1.43 -0.23 -4.63 118.68 115.76 2isa s LEU 224 Ca 0.30 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.93 2isa s LEU 224 Cb 0.05 -1.50 0.06 0.00 0.03 0.00 0.00 46.19 44.83 2isa s LEU 224 CO 0.11 0.30 1.12 -0.94 0.23 0.00 0.00 176.35 177.17 2isa s SER 225 N -1.06 4.77 0.22 2.29 1.04 -1.26 -4.53 113.70 115.17 2isa s SER 225 Ca 0.13 1.10 -0.08 0.00 0.48 0.00 0.00 55.95 57.58 2isa s SER 225 Cb -0.10 -1.80 0.34 0.00 0.10 0.00 0.00 66.02 64.55 2isa s SER 225 CO 0.03 -1.77 1.71 0.44 0.98 0.00 0.00 173.24 174.63 2isa h ASP 226 N -0.95 0.08 -0.03 7.02 3.32 -1.99 0.34 116.42 124.21 2isa h ASP 226 Ca -0.46 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.70 2isa h ASP 226 Cb 1.28 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.96 2isa h ASP 226 CO 0.63 0.04 0.02 0.00 -1.72 0.00 0.00 179.24 178.20 2isa h ALA 227 N 1.50 0.04 -0.64 3.45 0.00 -1.99 0.16 119.26 121.78 2isa h ALA 227 Ca 0.34 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2isa h ALA 227 Cb 0.51 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2isa h ALA 227 CO -0.40 -0.43 0.32 0.93 0.00 0.00 0.00 179.25 179.67 2isa h GLU 228 N -0.02 0.91 -0.41 0.00 5.08 -1.80 -2.01 114.58 116.32 2isa h GLU 228 Ca 0.01 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 2isa h GLU 228 Cb 0.07 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2isa h GLU 228 CO -0.00 0.71 -0.21 0.00 -1.00 0.00 0.00 179.01 178.52 2isa h ALA 229 N 1.14 0.87 -0.14 3.43 0.00 -0.86 -1.02 119.26 122.68 2isa h ALA 229 Ca 0.22 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.79 2isa h ALA 229 Cb 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2isa h ALA 229 CO -0.03 0.63 -0.05 0.78 0.00 0.00 0.00 179.25 180.58 2isa h GLY 230 N 0.96 0.08 1.00 0.00 0.00 -0.70 -0.33 103.07 104.07 2isa h GLY 230 Ca 0.10 0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.50 2isa h GLY 230 CO 0.06 -0.07 0.43 -2.09 0.00 0.00 0.00 176.54 174.87 2isa h GLU 231 N -0.03 0.85 -0.31 4.80 4.81 -1.15 -2.13 114.58 121.43 2isa h GLU 231 Ca 0.07 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2isa h GLU 231 Cb 0.14 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2isa h GLU 231 CO -0.16 0.57 0.20 1.25 -0.73 0.00 0.00 179.01 180.13 2isa h LEU 232 N 0.88 0.35 -0.87 1.64 5.85 -0.85 -3.01 115.31 119.30 2isa h LEU 232 Ca 0.24 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 2isa h LEU 232 Cb -0.10 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 2isa h LEU 232 CO -0.05 0.27 0.48 0.58 -0.34 0.00 0.00 178.44 179.38 2isa h VAL 233 N 0.41 1.25 -0.95 1.05 2.07 -0.86 0.11 116.25 119.33 2isa h VAL 233 Ca 0.11 -0.61 0.19 0.00 0.82 0.00 0.00 66.70 67.21 2isa h VAL 233 Cb -0.04 0.07 -0.08 0.00 -1.52 0.00 0.00 31.29 29.72 2isa h VAL 233 CO -0.02 0.28 0.61 1.23 0.02 0.00 0.00 177.57 179.68 2isa h GLY 234 N 1.21 1.28 0.87 2.17 0.00 -1.26 -2.66 103.07 104.67 2isa h GLY 234 Ca 0.31 -0.27 -0.20 0.00 0.00 0.00 0.00 47.33 47.16 2isa h GLY 234 CO -0.05 -0.01 -1.58 0.70 0.00 0.00 0.00 176.54 175.61 2isa n ASN 235 N -4.61 0.77 -3.15 0.19 5.03 -0.76 -4.95 115.26 107.78 2isa n ASN 235 Ca 0.21 0.34 0.04 0.00 0.87 0.00 0.00 54.58 56.04 2isa n ASN 235 Cb 0.61 0.24 -0.01 0.00 -1.02 0.00 0.00 39.78 39.61 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 -5.78 -1.32 0.15 6.41 2.15 0.33 -4.99 116.67 113.62 2isa s ASP 236 Ca -0.04 0.77 0.25 0.00 0.43 0.00 0.00 52.55 53.95 2isa s ASP 236 Cb 0.08 2.08 0.92 0.00 -0.30 0.00 0.00 42.92 45.71 2isa s ASP 236 CO 0.82 -0.25 1.75 0.54 -0.17 0.00 0.00 175.17 177.87 2isa n ARG 237 N 5.43 0.15 -0.73 4.34 3.00 -1.26 -3.73 116.66 123.87 2isa n ARG 237 Ca -0.01 0.22 -0.01 0.00 -0.01 0.00 0.00 57.85 58.04 2isa n ARG 237 Cb 0.52 -1.71 0.23 0.00 0.00 0.00 0.00 32.46 31.49 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 -1.98 2.41 -0.31 5.56 -0.58 -1.26 -0.78 120.64 123.70 2isa n GLU 238 Ca 0.05 -3.04 0.14 0.00 -0.42 0.00 0.00 57.16 53.89 2isa n GLU 238 Cb 0.33 -1.89 0.38 0.00 -0.57 0.00 0.00 31.44 29.68 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 1.42 0.67 0.52 1.62 4.64 -1.94 -0.66 113.55 119.81 2isa h SER 239 Ca 0.18 0.07 -0.29 0.00 -0.47 0.00 0.00 61.79 61.28 2isa h SER 239 Cb 1.74 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.74 2isa h SER 239 CO 0.42 0.27 -1.58 0.45 -0.87 0.00 0.00 176.83 175.51 2isa h HIS 240 N 0.67 0.18 -0.58 4.77 3.86 -1.91 -2.44 115.15 119.70 2isa h HIS 240 Ca 0.53 -0.13 -0.04 0.00 -1.16 0.00 0.00 60.37 59.56 2isa h HIS 240 Cb 0.93 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.37 2isa h HIS 240 CO -0.00 1.20 0.19 0.37 0.86 0.00 0.00 177.93 180.55 2isa h GLN 241 N 0.03 0.90 0.11 2.45 5.75 -1.90 -2.48 115.11 119.97 2isa h GLN 241 Ca -0.25 -0.19 -0.00 0.00 -0.15 0.00 0.00 58.65 58.06 2isa h GLN 241 Cb 1.98 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 30.39 2isa h GLN 241 CO 0.11 0.80 -0.06 -0.09 -2.65 0.00 0.00 178.83 176.94 2isa h ARG 242 N 0.82 -0.15 -0.10 1.69 2.43 -1.12 -1.75 114.38 116.20 2isa h ARG 242 Ca 0.19 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 2isa h ARG 242 Cb 0.27 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 2isa h ARG 242 CO -0.01 -0.10 -0.12 0.22 -1.51 0.00 0.00 179.97 178.45 2isa h ASP 243 N -0.16 -0.37 0.26 -3.80 3.58 -1.43 -0.07 116.42 114.42 2isa h ASP 243 Ca -0.01 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 2isa h ASP 243 Cb 0.13 0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2isa h ASP 243 CO 0.02 -0.16 -0.12 0.25 -2.88 0.00 0.00 179.24 176.34 2isa h LEU 244 N -0.15 -0.29 0.02 2.28 5.85 -1.39 0.36 115.31 121.99 2isa h LEU 244 Ca 0.08 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.79 2isa h LEU 244 Cb 0.26 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2isa h LEU 244 CO -0.19 -0.18 -0.06 0.25 -0.34 0.00 0.00 178.44 177.93 2isa h LEU 245 N -0.38 -0.16 -0.49 2.25 5.85 -1.22 -1.94 115.31 119.23 2isa h LEU 245 Ca -0.04 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 2isa h LEU 245 Cb 0.29 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2isa h LEU 245 CO 0.06 -0.09 -0.00 0.44 -0.34 0.00 0.00 178.44 178.51 2isa h ASP 246 N -0.11 0.85 -0.37 1.25 3.32 -1.00 -0.97 116.42 119.39 2isa h ASP 246 Ca 0.02 -0.31 0.04 0.00 0.02 0.00 0.00 57.03 56.80 2isa h ASP 246 Cb 0.13 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 2isa h ASP 246 CO -0.05 0.95 0.14 0.28 -1.72 0.00 0.00 179.24 178.85 2isa h SER 247 N 0.73 0.17 -0.37 6.45 0.02 -0.81 0.14 113.55 119.88 2isa h SER 247 Ca 0.14 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 2isa h SER 247 Cb 0.52 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 2isa h SER 247 CO 0.03 0.13 0.05 0.40 -1.14 0.00 0.00 176.83 176.29 2isa h ILE 248 N 0.30 1.24 -0.36 3.27 2.04 -1.28 0.14 117.51 122.87 2isa h ILE 248 Ca 0.17 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 2isa h ILE 248 Cb 0.13 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 2isa h ILE 248 CO -0.16 0.30 0.21 0.44 0.00 0.00 0.00 178.15 178.94 2isa h ASP 249 N 0.45 0.42 -0.05 1.72 3.32 -0.87 -0.30 116.42 121.11 2isa h ASP 249 Ca 0.11 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2isa h ASP 249 Cb 0.39 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2isa h ASP 249 CO 0.01 0.34 0.00 0.59 -1.72 0.00 0.00 179.24 178.46 2isa n ASN 250 N -4.45 0.33 -2.87 6.45 5.03 0.46 -4.91 115.26 115.29 2isa n ASN 250 Ca 0.02 -1.79 -0.21 0.00 0.87 0.00 0.00 54.58 53.48 2isa n ASN 250 Cb 0.09 -0.03 0.01 0.00 -1.02 0.00 0.00 39.78 38.82 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 -0.42 -3.53 -3.06 3.52 6.02 -0.12 -4.91 117.38 114.87 2isa n GLN 251 Ca 0.07 0.80 -0.42 0.00 -0.01 0.00 0.00 57.00 57.44 2isa n GLN 251 Cb 0.08 -5.55 0.00 0.00 1.02 0.00 0.00 30.24 25.79 2isa n GLN 251 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2isa n ASP 252 N -2.26 6.20 -4.64 1.08 4.64 0.44 -5.01 116.55 116.98 2isa n ASP 252 Ca -0.13 -3.38 -0.43 0.00 -1.38 0.00 0.00 54.79 49.47 2isa n ASP 252 Cb 0.62 -1.25 -0.03 0.00 -1.04 0.00 0.00 41.12 39.43 2isa n ASP 252 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 2isa s PHE 253 N -2.65 2.21 0.51 -0.67 2.99 -1.26 -4.40 117.98 114.71 2isa s PHE 253 Ca 0.31 0.52 -0.20 0.00 0.00 0.00 0.00 56.93 57.56 2isa s PHE 253 Cb 0.04 -3.87 -0.07 0.00 0.00 0.00 0.00 43.02 39.12 2isa s PHE 253 CO 0.08 -2.99 1.09 -1.25 -0.00 0.00 0.00 175.22 172.16 2isa s PRO 254 N 4.25 3.59 0.07 0.24 0.04 -1.25 -4.81 135.00 137.11 2isa s PRO 254 Ca 0.69 1.52 0.04 0.00 0.04 0.00 0.00 61.00 63.28 2isa s PRO 254 Cb -0.27 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 2isa s PRO 254 CO 0.27 -0.64 -0.11 0.15 0.04 0.00 0.00 177.00 176.71 2isa s LYS 255 N -3.20 0.71 0.01 4.56 1.02 -1.26 -2.07 119.74 119.51 2isa s LYS 255 Ca 0.70 -0.92 0.02 0.00 0.02 0.00 0.00 55.97 55.79 2isa s LYS 255 Cb -0.21 -0.56 -0.01 0.00 -0.52 0.00 0.00 37.83 36.53 2isa s LYS 255 CO 0.25 0.11 -0.07 -1.58 -0.92 0.00 0.00 175.35 173.14 2isa s TRP 256 N -1.55 0.60 -0.28 3.18 0.51 -0.39 -1.21 118.94 119.79 2isa s TRP 256 Ca -0.04 -0.21 -0.11 0.00 -2.12 0.00 0.00 56.10 53.63 2isa s TRP 256 Cb -0.09 -0.37 -0.05 0.00 -0.81 0.00 0.00 33.47 32.15 2isa s TRP 256 CO 0.01 -0.02 0.20 0.99 -0.51 0.00 0.00 176.95 177.62 2isa s THR 257 N -0.46 5.30 -0.12 2.01 2.01 0.26 -1.08 115.64 123.57 2isa s THR 257 Ca -0.01 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.86 2isa s THR 257 Cb -0.04 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.90 2isa s THR 257 CO -0.00 0.23 1.17 -0.22 -0.69 0.00 0.00 174.62 175.11 2isa s LEU 258 N 1.77 4.22 0.08 4.42 2.96 0.99 -0.88 118.68 132.24 2isa s LEU 258 Ca 0.07 1.68 0.08 0.00 -0.22 0.00 0.00 54.13 55.74 2isa s LEU 258 Cb -0.16 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 2isa s LEU 258 CO 0.11 -0.63 -0.21 -0.54 -1.32 0.00 0.00 176.35 173.76 2isa s LYS 259 N 2.71 1.21 0.12 1.98 1.02 0.21 -1.32 119.74 125.68 2isa s LYS 259 Ca 0.53 -1.08 0.11 0.00 0.02 0.00 0.00 55.97 55.54 2isa s LYS 259 Cb -0.22 -1.43 -0.04 0.00 -0.52 0.00 0.00 37.83 35.63 2isa s LYS 259 CO 0.17 0.34 -0.26 0.14 -0.92 0.00 0.00 175.35 174.82 2isa s VAL 260 N -1.04 2.31 -0.14 3.17 -7.23 0.46 -0.73 120.40 117.21 2isa s VAL 260 Ca 0.07 -1.70 -0.05 0.00 -1.81 0.00 0.00 61.98 58.48 2isa s VAL 260 Cb -0.10 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 2isa s VAL 260 CO 0.03 0.11 0.04 -1.10 -0.31 0.00 0.00 175.10 173.88 2isa s GLN 261 N -2.00 3.55 -0.13 4.82 -0.21 -0.54 0.19 119.66 125.34 2isa s GLN 261 Ca 0.14 -0.35 0.01 0.00 0.02 0.00 0.00 55.36 55.18 2isa s GLN 261 Cb -0.10 -3.04 0.02 0.00 1.00 0.00 0.00 33.01 30.89 2isa s GLN 261 CO 0.06 0.48 -0.16 0.42 -2.12 0.00 0.00 175.29 173.97 2isa s ILE 262 N -0.24 1.66 -0.19 1.08 1.01 -1.26 -1.60 121.20 121.65 2isa s ILE 262 Ca 0.07 -0.72 -0.00 0.00 0.00 0.00 0.00 60.65 60.00 2isa s ILE 262 Cb -0.12 -1.52 0.02 0.00 0.01 0.00 0.00 42.46 40.85 2isa s ILE 262 CO 0.02 0.47 -0.16 -0.32 0.00 0.00 0.00 174.94 174.95 2isa s MET 263 N 1.12 3.05 0.48 2.79 -2.45 0.24 -4.97 119.30 119.56 2isa s MET 263 Ca -0.03 -0.81 -0.24 0.00 -1.25 0.00 0.00 55.69 53.37 2isa s MET 263 Cb -0.14 -2.69 -0.07 0.00 1.25 0.00 0.00 34.83 33.17 2isa s MET 263 CO -0.05 -0.23 1.42 -2.14 1.05 0.00 0.00 175.02 175.07 2isa s PRO 264 N 1.33 3.50 0.29 4.11 0.02 -1.26 -0.42 135.00 142.57 2isa s PRO 264 Ca 0.05 2.39 0.04 0.00 0.02 0.00 0.00 61.00 63.50 2isa s PRO 264 Cb -0.14 -2.53 0.69 0.00 0.02 0.00 0.00 34.50 32.54 2isa s PRO 264 CO -0.10 -0.95 1.76 1.49 -0.33 0.00 0.00 177.00 178.86 2isa h GLU 265 N 2.05 0.65 -0.70 5.54 4.81 -1.93 -1.77 114.58 123.22 2isa h GLU 265 Ca -0.51 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 58.70 2isa h GLU 265 Cb 1.28 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 2isa h GLU 265 CO 0.60 0.43 0.46 0.00 -0.73 0.00 0.00 179.01 179.78 2isa h ALA 266 N 1.64 1.54 -0.06 2.92 0.00 -1.91 -2.93 119.26 120.46 2isa h ALA 266 Ca 0.55 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.43 2isa h ALA 266 Cb 0.87 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2isa h ALA 266 CO -0.40 0.41 0.05 -0.44 0.00 0.00 0.00 179.25 178.87 2isa h ASP 267 N 0.91 0.00 -0.50 0.00 5.19 -1.68 -3.03 116.42 117.31 2isa h ASP 267 Ca 0.27 0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.75 2isa h ASP 267 Cb -0.04 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.44 2isa h ASP 267 CO -0.07 0.00 0.34 0.00 -3.12 0.00 0.00 179.24 176.39 2isa h ALA 268 N 1.95 1.98 0.00 3.45 0.00 -1.65 -0.42 119.26 124.58 2isa h ALA 268 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2isa h ALA 268 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2isa h ALA 268 CO -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 179.25 179.16 2isa n ALA 269 N -2.52 2.35 0.00 0.00 0.00 -1.14 -4.27 120.51 114.93 2isa n ALA 269 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2isa n ALA 269 Cb 0.30 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2isa n ALA 269 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2isa n THR 270 N -1.52 0.00 -2.13 0.00 -2.24 -0.26 -5.04 114.28 103.09 2isa n THR 270 Ca 0.07 -0.19 -0.36 0.00 -2.27 0.00 0.00 64.05 61.30 2isa n THR 270 Cb 0.34 0.69 0.02 0.00 -2.10 0.00 0.00 70.33 69.28 2isa n THR 270 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2isa s VAL 271 N -1.38 2.87 -1.74 2.28 -7.23 -0.65 -4.92 120.40 109.63 2isa s VAL 271 Ca 0.00 0.55 0.30 0.00 -1.81 0.00 0.00 61.98 61.02 2isa s VAL 271 Cb 0.00 -3.23 0.70 0.00 0.56 0.00 0.00 36.38 34.41 2isa s VAL 271 CO 0.00 -0.11 2.07 -0.81 -0.31 0.00 0.00 175.10 175.95 2isa n PRO 272 N -1.37 0.71 -4.31 4.82 -0.04 -1.26 -4.74 135.00 128.81 2isa n PRO 272 Ca 0.12 0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.30 2isa n PRO 272 Cb 0.50 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 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 -2.26 2.53 -0.20 0.54 -0.85 -1.26 -5.08 117.35 110.77 2isa s TYR 273 Ca 0.37 -0.26 -0.29 0.00 -0.52 0.00 0.00 57.07 56.37 2isa s TYR 273 Cb 0.20 -1.33 -0.04 0.00 0.38 0.00 0.00 41.96 41.17 2isa s TYR 273 CO 0.39 0.40 1.90 1.21 -1.52 0.00 0.00 175.55 177.93 2isa s ASN 274 N -2.21 5.98 0.00 -0.18 3.84 -1.26 -4.85 114.94 116.26 2isa s ASN 274 Ca 0.19 1.80 0.17 0.00 0.21 0.00 0.00 52.86 55.23 2isa s ASN 274 Cb -0.10 -2.52 0.78 0.00 -0.55 0.00 0.00 41.25 38.86 2isa s ASN 274 CO 0.10 -1.55 1.55 -0.81 -2.79 0.00 0.00 177.10 173.60 2isa n PRO 275 N 8.17 0.07 -0.21 0.43 -0.04 -1.26 -2.66 135.00 139.49 2isa n PRO 275 Ca 0.23 0.18 0.06 0.00 -0.04 0.00 0.00 63.50 63.94 2isa n PRO 275 Cb 0.45 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.44 0.54 -2.81 0.54 3.72 -1.26 -4.64 117.46 112.11 2isa n PHE 276 Ca 0.05 -0.50 -0.43 0.00 -0.05 0.00 0.00 57.45 56.52 2isa n PHE 276 Cb 0.19 -0.03 -0.04 0.00 -0.94 0.00 0.00 39.48 38.66 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 -1.00 6.53 0.55 4.37 -1.08 -1.09 -4.39 116.67 120.56 2isa s ASP 277 Ca 0.27 0.20 0.36 0.00 -0.52 0.00 0.00 52.55 52.87 2isa s ASP 277 Cb 0.14 -2.46 1.79 0.00 -1.46 0.00 0.00 42.92 40.94 2isa s ASP 277 CO 0.18 -1.03 2.09 0.25 0.52 0.00 0.00 175.17 177.19 2isa h LEU 278 N 10.53 0.00 -0.27 -1.34 5.85 -1.89 -0.16 115.31 128.03 2isa h LEU 278 Ca -0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2isa h LEU 278 Cb 1.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2isa h LEU 278 CO 1.02 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 179.47 2isa n THR 279 N -2.90 0.02 -4.43 1.05 -2.24 -1.26 -2.04 114.28 102.47 2isa n THR 279 Ca -0.01 -0.07 -0.26 0.00 -2.27 0.00 0.00 64.05 61.43 2isa n THR 279 Cb 0.16 -0.20 -0.13 0.00 -2.10 0.00 0.00 70.33 68.06 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 -1.98 1.32 0.34 -0.78 1.02 -0.07 -4.84 119.74 114.74 2isa s LYS 280 Ca 0.40 -1.18 0.04 0.00 0.02 0.00 0.00 55.97 55.25 2isa s LYS 280 Cb 0.19 -1.63 -0.02 0.00 -0.52 0.00 0.00 37.83 35.86 2isa s LYS 280 CO 0.32 0.39 0.49 0.14 -0.92 0.00 0.00 175.35 175.77 2isa s VAL 281 N -1.04 4.45 -0.22 3.17 -7.23 -1.26 -4.86 120.40 113.42 2isa s VAL 281 Ca 0.10 -0.84 -0.20 0.00 -1.81 0.00 0.00 61.98 59.23 2isa s VAL 281 Cb -0.10 -3.58 -0.02 0.00 0.56 0.00 0.00 36.38 33.24 2isa s VAL 281 CO 0.04 -0.28 0.60 0.26 -0.31 0.00 0.00 175.10 175.41 2isa s TRP 282 N -2.22 3.34 0.18 2.82 0.51 -1.26 -5.05 118.94 117.26 2isa s TRP 282 Ca 0.42 0.84 -0.33 0.00 -2.12 0.00 0.00 56.10 54.91 2isa s TRP 282 Cb -0.09 -2.78 -0.14 0.00 -0.81 0.00 0.00 33.47 29.65 2isa s TRP 282 CO 0.32 -0.21 1.48 -2.30 -0.51 0.00 0.00 176.95 175.74 2isa n PRO 283 N 5.22 1.98 0.27 4.98 -0.02 -1.26 -4.86 135.00 141.31 2isa n PRO 283 Ca -0.02 0.71 0.10 0.00 -2.02 0.00 0.00 63.50 62.27 2isa n PRO 283 Cb 0.50 -2.42 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 5.12 0.00 -0.85 6.00 3.86 -1.98 -0.87 115.15 126.44 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 -0.04 0.00 1.06 0.00 0.00 27.41 29.70 2isa h HIS 284 CO 0.60 0.03 0.56 0.87 0.86 0.00 0.00 177.93 180.85 2isa h LYS 285 N 0.00 1.10 0.14 2.45 1.57 -2.00 -2.77 116.57 117.06 2isa h LYS 285 Ca -0.00 -0.07 -0.18 0.00 -1.87 0.00 0.00 60.65 58.54 2isa h LYS 285 Cb 0.06 -0.25 0.02 0.00 0.08 0.00 0.00 32.23 32.14 2isa h LYS 285 CO 0.00 0.73 -0.78 -0.44 -0.57 0.00 0.00 179.45 178.39 2isa h ASP 286 N 1.13 0.45 -3.04 0.86 3.32 -1.63 -3.44 116.42 114.08 2isa h ASP 286 Ca 0.31 -0.96 -0.58 0.00 0.02 0.00 0.00 57.03 55.83 2isa h ASP 286 Cb -0.11 -0.15 -0.40 0.00 0.22 0.00 0.00 39.33 38.90 2isa h ASP 286 CO -0.07 1.38 -0.77 -0.31 -1.72 0.00 0.00 179.24 177.74 2isa s TYR 287 N -2.42 1.28 0.58 4.55 2.02 -0.44 -5.08 117.35 117.83 2isa s TYR 287 Ca -0.14 -1.64 -0.17 0.00 -0.37 0.00 0.00 57.07 54.74 2isa s TYR 287 Cb 0.01 -1.43 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 2isa s TYR 287 CO 0.83 -0.84 1.10 -1.25 -1.57 0.00 0.00 175.55 173.81 2isa s PRO 288 N 1.41 3.24 0.23 -1.71 0.04 -1.05 -4.19 135.00 132.98 2isa s PRO 288 Ca 0.12 1.43 -0.31 0.00 0.04 0.00 0.00 61.00 62.28 2isa s PRO 288 Cb -0.19 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.23 2isa s PRO 288 CO -0.19 -0.90 1.62 -0.51 0.04 0.00 0.00 177.00 177.05 2isa s LEU 289 N -4.22 4.36 -0.24 -3.56 1.02 -1.26 -4.55 118.68 110.23 2isa s LEU 289 Ca 0.68 2.82 -0.01 0.00 0.02 0.00 0.00 54.13 57.64 2isa s LEU 289 Cb -0.20 -3.61 0.02 0.00 0.02 0.00 0.00 46.19 42.42 2isa s LEU 289 CO 0.32 -0.89 -0.07 -0.63 0.02 0.00 0.00 176.35 175.10 2isa s ILE 290 N 0.64 2.82 0.39 -0.59 1.01 0.13 -4.90 121.20 120.70 2isa s ILE 290 Ca 0.68 -0.99 -0.26 0.00 0.00 0.00 0.00 60.65 60.08 2isa s ILE 290 Cb -0.47 -2.41 -0.09 0.00 0.01 0.00 0.00 42.46 39.50 2isa s ILE 290 CO 0.38 0.24 1.24 -0.70 0.00 0.00 0.00 174.94 176.10 2isa s GLU 291 N 1.33 4.09 0.00 2.79 2.12 -1.26 -0.41 118.70 127.36 2isa s GLU 291 Ca 0.01 2.02 0.00 0.00 0.36 0.00 0.00 54.97 57.35 2isa s GLU 291 Cb -0.16 -2.79 0.00 0.00 0.26 0.00 0.00 34.13 31.44 2isa s GLU 291 CO -0.05 -0.34 0.00 0.28 -0.54 0.00 0.00 175.26 174.61 2isa n VAL 292 N 0.26 0.00 -3.89 3.70 0.31 -0.43 -4.66 118.33 113.62 2isa n VAL 292 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2isa n VAL 292 Cb 0.45 -1.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 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 2.55 0.56 3.06 2.92 0.00 -1.17 -1.21 105.19 111.90 2isa n GLY 293 Ca 0.00 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.00 0.51 0.08 1.61 -1.05 -0.51 -0.00 118.70 117.33 2isa s GLU 294 Ca 0.03 -0.88 0.07 0.00 -0.15 0.00 0.00 54.97 54.03 2isa s GLU 294 Cb -0.00 0.19 -0.03 0.00 -0.44 0.00 0.00 34.13 33.85 2isa s GLU 294 CO -0.00 -0.10 -0.17 -0.59 0.95 0.00 0.00 175.26 175.34 2isa s PHE 295 N -2.73 1.50 0.02 4.83 -0.12 -0.24 -0.33 117.98 120.92 2isa s PHE 295 Ca -0.04 -0.42 0.06 0.00 -0.05 0.00 0.00 56.93 56.48 2isa s PHE 295 Cb -0.01 -0.84 -0.02 0.00 -0.63 0.00 0.00 43.02 41.52 2isa s PHE 295 CO -0.05 0.12 -0.17 -1.83 -0.05 0.00 0.00 175.22 173.23 2isa s GLU 296 N -1.69 1.26 -0.25 1.99 -1.05 -0.80 -1.27 118.70 116.90 2isa s GLU 296 Ca 0.03 -0.76 -0.10 0.00 -0.15 0.00 0.00 54.97 53.99 2isa s GLU 296 Cb -0.10 -1.28 -0.04 0.00 -0.44 0.00 0.00 34.13 32.27 2isa s GLU 296 CO 0.03 0.34 0.14 -0.51 0.95 0.00 0.00 175.26 176.20 2isa s LEU 297 N -0.85 3.90 -0.00 1.83 1.43 -0.88 -1.08 118.68 123.03 2isa s LEU 297 Ca 0.06 0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 2isa s LEU 297 Cb -0.08 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.10 2isa s LEU 297 CO 0.01 0.02 0.69 -0.46 0.23 0.00 0.00 176.35 176.83 2isa n ASN 298 N 4.58 0.17 -3.66 2.29 0.23 -0.26 -3.92 115.26 114.69 2isa n ASN 298 Ca -0.15 -1.39 -0.12 0.00 -0.53 0.00 0.00 54.58 52.38 2isa n ASN 298 Cb 0.52 -0.07 -0.12 0.00 -2.08 0.00 0.00 39.78 38.03 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 -0.13 0.19 0.37 -3.83 3.52 -1.00 -5.02 118.95 113.06 2isa s ARG 299 Ca 0.01 0.82 -0.24 0.00 -0.13 0.00 0.00 55.73 56.18 2isa s ARG 299 Cb 0.01 0.05 -0.10 0.00 -1.56 0.00 0.00 34.95 33.35 2isa s ARG 299 CO 0.00 -0.28 0.99 -0.80 -0.81 0.00 0.00 175.30 174.40 2isa s ASN 300 N 2.47 7.04 0.62 -2.12 0.02 -1.26 -0.75 114.94 120.96 2isa s ASN 300 Ca 0.01 1.91 -0.19 0.00 -1.02 0.00 0.00 52.86 53.57 2isa s ASN 300 Cb -0.12 -2.58 -0.02 0.00 0.02 0.00 0.00 41.25 38.55 2isa s ASN 300 CO -0.09 -0.29 1.27 -2.84 0.02 0.00 0.00 177.10 175.16 2isa s PRO 301 N -2.40 2.74 0.12 -0.60 0.02 -1.26 -4.89 135.00 128.73 2isa s PRO 301 Ca 0.55 2.00 -0.09 0.00 0.02 0.00 0.00 61.00 63.48 2isa s PRO 301 Cb -0.19 -1.90 -0.10 0.00 0.02 0.00 0.00 34.50 32.33 2isa s PRO 301 CO 0.24 -1.43 1.33 1.96 -0.33 0.00 0.00 177.00 178.76 2isa h GLN 302 N 0.73 0.62 -3.76 5.54 4.20 -2.01 -3.43 115.11 117.01 2isa h GLN 302 Ca -0.51 -0.55 -0.48 0.00 0.06 0.00 0.00 58.65 57.17 2isa h GLN 302 Cb 1.32 0.13 -0.38 0.00 0.30 0.00 0.00 27.48 28.84 2isa h GLN 302 CO 0.54 1.17 -0.77 1.21 -0.67 0.00 0.00 178.83 180.31 2isa s ASN 303 N -7.10 2.12 0.10 1.46 3.84 -1.26 -5.05 114.94 109.05 2isa s ASN 303 Ca -0.08 -0.36 -0.22 0.00 0.21 0.00 0.00 52.86 52.41 2isa s ASN 303 Cb 0.09 -0.57 -0.12 0.00 -0.55 0.00 0.00 41.25 40.10 2isa s ASN 303 CO 0.88 -0.21 1.75 0.22 -2.79 0.00 0.00 177.10 176.95 2isa h TYR 304 N 8.27 0.05 0.25 0.43 5.03 -1.98 -2.49 116.97 126.53 2isa h TYR 304 Ca -0.20 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.12 2isa h TYR 304 Cb 1.12 -0.01 -0.03 0.00 1.55 0.00 0.00 36.73 39.36 2isa h TYR 304 CO 0.42 0.03 -0.32 0.35 -1.32 0.00 0.00 178.16 177.32 2isa h PHE 305 N 0.06 -0.86 -0.12 -3.82 3.57 -1.96 0.34 116.94 114.15 2isa h PHE 305 Ca 0.03 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 2isa h PHE 305 Cb 0.01 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 2isa h PHE 305 CO -0.09 -0.44 -0.15 0.00 -2.23 0.00 0.00 178.31 175.39 2isa h ALA 306 N -0.05 1.53 0.00 2.41 0.00 -1.96 -1.56 119.26 119.62 2isa h ALA 306 Ca 0.00 -0.21 -0.22 0.00 0.00 0.00 0.00 54.91 54.48 2isa h ALA 306 Cb 0.59 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2isa h ALA 306 CO -0.11 0.34 -1.83 0.39 0.00 0.00 0.00 179.25 178.04 2isa n GLU 307 N -4.27 1.15 -0.11 0.00 1.02 -0.94 -4.35 120.64 113.13 2isa n GLU 307 Ca -0.01 0.04 -0.21 0.00 -0.02 0.00 0.00 57.16 56.96 2isa n GLU 307 Cb 0.27 -1.30 -0.07 0.00 -0.02 0.00 0.00 31.44 30.32 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 -2.71 1.41 -0.16 2.62 0.31 0.11 -3.89 118.33 116.02 2isa n VAL 308 Ca -0.23 -0.19 -0.07 0.00 -0.01 0.00 0.00 64.34 63.84 2isa n VAL 308 Cb 0.83 -1.98 0.02 0.00 -0.91 0.00 0.00 33.84 31.80 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 -0.90 0.62 -0.01 5.55 4.57 -1.15 -2.44 114.58 120.82 2isa h GLU 309 Ca -0.44 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 2isa h GLU 309 Cb 1.36 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 2isa h GLU 309 CO -0.27 0.41 0.00 1.04 -1.18 0.00 0.00 179.01 179.01 2isa n GLN 310 N -4.76 1.17 -1.95 1.92 6.02 -0.60 -4.88 117.38 114.29 2isa n GLN 310 Ca 0.02 -0.25 -0.41 0.00 -0.01 0.00 0.00 57.00 56.35 2isa n GLN 310 Cb 0.03 -1.46 -0.02 0.00 1.02 0.00 0.00 30.24 29.82 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 -1.99 3.60 -0.13 -1.58 0.00 -0.92 -4.88 121.76 115.86 2isa s ALA 311 Ca 0.42 1.41 -0.01 0.00 0.00 0.00 0.00 51.96 53.78 2isa s ALA 311 Cb 0.20 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.79 2isa s ALA 311 CO 0.33 -0.83 -0.05 0.00 0.00 0.00 0.00 175.76 175.21 2isa s ALA 312 N -0.58 1.25 -0.23 0.00 0.00 -1.26 -5.04 121.76 115.91 2isa s ALA 312 Ca 0.56 -0.58 -0.05 0.00 0.00 0.00 0.00 51.96 51.89 2isa s ALA 312 Cb -0.43 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.70 2isa s ALA 312 CO 0.51 -0.59 -0.00 -0.06 0.00 0.00 0.00 175.76 175.62 2isa s PHE 313 N 1.74 3.00 -0.23 0.00 0.40 -1.26 -4.95 117.98 116.68 2isa s PHE 313 Ca 0.03 -0.72 0.02 0.00 -0.60 0.00 0.00 56.93 55.66 2isa s PHE 313 Cb -0.14 -2.14 0.05 0.00 0.51 0.00 0.00 43.02 41.30 2isa s PHE 313 CO -0.08 -0.45 -0.13 1.21 0.70 0.00 0.00 175.22 176.47 2isa s ASN 314 N 1.46 3.95 0.62 1.36 3.04 -1.26 -4.93 114.94 119.18 2isa s ASN 314 Ca 0.05 -1.14 0.27 0.00 0.04 0.00 0.00 52.86 52.09 2isa s ASN 314 Cb -0.15 -1.47 1.42 0.00 -1.54 0.00 0.00 41.25 39.52 2isa s ASN 314 CO -0.01 -0.14 1.82 -0.65 -3.04 0.00 0.00 177.10 175.08 2isa h PRO 315 N 7.85 0.00 0.00 0.43 0.11 -1.86 0.33 132.00 138.87 2isa h PRO 315 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2isa h PRO 315 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2isa h PRO 315 CO 0.50 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.29 2isa h ALA 316 N 1.27 1.00 -0.97 -0.75 0.00 -1.86 -3.39 119.26 114.57 2isa h ALA 316 Ca 0.13 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.40 2isa h ALA 316 Cb 1.12 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 2isa h ALA 316 CO -0.00 0.00 1.89 -0.80 0.00 0.00 0.00 179.25 180.34 2isa s ASN 317 N -4.95 6.68 0.47 0.00 0.02 0.12 -4.94 114.94 112.35 2isa s ASN 317 Ca 0.03 -2.00 0.07 0.00 -1.02 0.00 0.00 52.86 49.94 2isa s ASN 317 Cb 0.09 -2.58 0.00 0.00 0.02 0.00 0.00 41.25 38.79 2isa s ASN 317 CO 0.47 -1.33 0.39 0.54 0.02 0.00 0.00 177.10 177.19 2isa s VAL 318 N 4.59 2.21 0.16 1.60 0.11 -1.26 -0.68 120.40 127.12 2isa s VAL 318 Ca 0.51 -1.42 0.06 0.00 -2.93 0.00 0.00 61.98 58.19 2isa s VAL 318 Cb 0.02 -2.63 -0.04 0.00 -1.53 0.00 0.00 36.38 32.20 2isa s VAL 318 CO 0.00 0.00 -0.13 0.68 -3.33 0.00 0.00 175.10 172.32 2isa s VAL 319 N -2.61 1.39 0.19 2.04 -7.23 -1.25 -4.78 120.40 108.15 2isa s VAL 319 Ca 0.43 -2.00 -0.32 0.00 -1.81 0.00 0.00 61.98 58.27 2isa s VAL 319 Cb -0.02 -1.81 -0.15 0.00 0.56 0.00 0.00 36.38 34.96 2isa s VAL 319 CO 0.25 -0.60 1.30 -2.65 -0.31 0.00 0.00 175.10 173.09 2isa n PRO 320 N -0.03 1.59 0.00 4.82 -0.02 -1.26 -0.63 135.00 139.47 2isa n PRO 320 Ca -0.11 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2isa n PRO 320 Cb 0.59 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 2.19 1.26 2.97 -1.23 0.00 -1.26 -3.72 105.19 105.41 2isa n GLY 321 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.34 0.78 0.00 -0.61 1.01 0.20 -0.81 121.20 119.43 2isa s ILE 322 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.34 2isa s ILE 322 Cb 0.00 -0.73 0.00 0.00 0.01 0.00 0.00 42.46 41.74 2isa s ILE 322 CO 0.00 0.26 0.00 -0.24 0.00 0.00 0.00 174.94 174.96 2isa n SER 323 N 3.66 0.00 -1.23 3.58 2.88 0.27 -3.90 113.62 118.88 2isa n SER 323 Ca -0.22 -0.40 0.00 0.00 -1.33 0.00 0.00 58.87 56.92 2isa n SER 323 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 -1.69 -3.67 0.66 3.72 -1.26 -1.33 117.46 113.88 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 -0.05 0.00 -0.94 0.00 0.00 39.48 38.49 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 -0.18 0.00 4.37 1.04 -1.26 -3.29 113.70 113.38 2isa s SER 325 Ca 0.00 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.05 2isa s SER 325 Cb 0.00 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2isa s SER 325 CO 0.00 -0.84 0.41 -0.81 0.98 0.00 0.00 173.24 172.98 2isa n PRO 326 N -0.20 0.72 -1.59 4.02 -0.04 -1.26 -4.59 135.00 132.06 2isa n PRO 326 Ca -0.16 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 62.83 2isa n PRO 326 Cb 0.63 -1.31 -0.05 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.05 3.09 -0.02 3.54 -0.08 -1.26 -4.83 116.55 117.04 2isa n ASP 327 Ca 0.00 0.58 0.12 0.00 -1.51 0.00 0.00 54.79 53.98 2isa n ASP 327 Cb 0.15 -1.41 0.54 0.00 2.34 0.00 0.00 41.12 42.75 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 12.00 0.29 -0.28 -0.67 1.57 -1.79 -1.07 116.57 126.61 2isa h LYS 328 Ca -0.41 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.30 2isa h LYS 328 Cb 1.27 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 2isa h LYS 328 CO 0.97 0.19 -0.06 0.52 -0.57 0.00 0.00 179.45 180.51 2isa h MET 329 N 0.30 0.54 -0.71 3.15 2.86 -1.88 -1.87 114.93 117.32 2isa h MET 329 Ca 0.23 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 2isa h MET 329 Cb 0.52 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 2isa h MET 329 CO -0.05 0.73 0.31 1.25 1.06 0.00 0.00 176.91 180.21 2isa h LEU 330 N 0.30 0.95 -0.33 1.22 5.85 -1.69 -2.58 115.31 119.04 2isa h LEU 330 Ca 0.07 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.70 2isa h LEU 330 Cb 0.53 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 2isa h LEU 330 CO 0.03 0.84 -0.03 1.56 -0.34 0.00 0.00 178.44 180.49 2isa h GLN 331 N 1.00 0.05 -0.97 1.25 1.08 -1.05 -2.18 115.11 114.28 2isa h GLN 331 Ca 0.24 -0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.46 2isa h GLN 331 Cb 0.16 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.53 2isa h GLN 331 CO -0.03 0.03 0.64 0.78 -0.95 0.00 0.00 178.83 179.31 2isa h GLY 332 N 0.05 1.39 2.00 3.46 0.00 -1.21 -1.78 103.07 106.98 2isa h GLY 332 Ca 0.16 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 2isa h GLY 332 CO -0.30 0.47 -0.06 3.21 0.00 0.00 0.00 176.54 179.86 2isa h ARG 333 N 1.29 0.00 0.00 4.80 3.08 -1.00 -2.52 114.38 120.03 2isa h ARG 333 Ca 0.37 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.40 2isa h ARG 333 Cb -0.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 2isa h ARG 333 CO -0.10 0.06 -0.08 -0.07 -1.07 0.00 0.00 179.97 178.72 2isa h LEU 334 N 0.00 0.00 0.00 3.04 3.38 -0.81 -3.00 115.31 117.92 2isa h LEU 334 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 2isa h LEU 334 Cb 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2isa h LEU 334 CO 0.01 0.08 -1.21 0.33 0.09 0.00 0.00 178.44 177.73 2isa n PHE 335 N -3.91 0.92 0.10 1.13 7.35 -0.97 -4.72 117.46 117.37 2isa n PHE 335 Ca -0.02 0.40 0.04 0.00 -0.76 0.00 0.00 57.45 57.11 2isa n PHE 335 Cb 0.17 -1.03 0.46 0.00 0.35 0.00 0.00 39.48 39.44 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 -0.63 1.70 0.05 3.13 0.00 -1.36 -2.79 119.26 119.37 2isa h ALA 336 Ca -0.31 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2isa h ALA 336 Cb 1.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2isa h ALA 336 CO -0.19 0.23 -0.03 1.88 0.00 0.00 0.00 179.25 181.15 2isa h TYR 337 N 0.31 -0.07 -0.83 0.00 -1.99 -1.83 -0.11 116.97 112.45 2isa h TYR 337 Ca 0.08 -0.00 0.11 0.00 2.00 0.00 0.00 58.73 60.92 2isa h TYR 337 Cb 0.11 0.02 -0.08 0.00 2.00 0.00 0.00 36.73 38.78 2isa h TYR 337 CO 0.00 0.55 0.46 0.78 -0.00 0.00 0.00 178.16 179.96 2isa h GLY 338 N -0.86 1.31 0.75 3.88 0.00 -1.85 0.72 103.07 107.02 2isa h GLY 338 Ca -0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 2isa h GLY 338 CO 0.01 0.08 -0.50 -1.80 0.00 0.00 0.00 176.54 174.33 2isa h ASP 339 N 0.74 -1.27 -0.87 0.19 3.58 -1.45 -1.76 116.42 115.57 2isa h ASP 339 Ca 0.42 0.08 0.13 0.00 0.42 0.00 0.00 57.03 58.07 2isa h ASP 339 Cb 0.46 0.38 -0.07 0.00 1.72 0.00 0.00 39.33 41.82 2isa h ASP 339 CO -0.28 -0.74 0.56 0.00 -2.88 0.00 0.00 179.24 175.90 2isa h ALA 340 N -1.14 1.79 -0.10 -0.78 0.00 -0.77 -2.76 119.26 115.49 2isa h ALA 340 Ca -0.10 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.59 2isa h ALA 340 Cb 0.96 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.61 2isa h ALA 340 CO 0.08 -0.01 -0.84 1.96 0.00 0.00 0.00 179.25 180.44 2isa h GLN 341 N 0.72 0.71 -0.66 0.00 4.20 -0.69 0.31 115.11 119.71 2isa h GLN 341 Ca 0.43 -0.62 -0.05 0.00 0.06 0.00 0.00 58.65 58.46 2isa h GLN 341 Cb 0.63 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.52 2isa h GLN 341 CO -0.19 1.23 0.20 0.00 -0.67 0.00 0.00 178.83 179.39 2isa h ARG 342 N 0.46 1.01 -0.05 1.46 3.08 -1.18 0.11 114.38 119.27 2isa h ARG 342 Ca -0.07 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 2isa h ARG 342 Cb 1.47 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.36 2isa h ARG 342 CO 0.17 0.87 -0.01 -0.92 -1.07 0.00 0.00 179.97 179.01 2isa h TYR 343 N 0.97 0.10 -0.23 3.04 3.20 -1.38 -1.41 116.97 121.26 2isa h TYR 343 Ca 0.21 -0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.92 2isa h TYR 343 Cb 0.29 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 2isa h TYR 343 CO 0.02 0.41 -0.45 -0.09 -1.64 0.00 0.00 178.16 176.42 2isa h ARG 344 N -0.24 0.58 0.00 1.82 2.43 -0.81 -3.37 114.38 114.79 2isa h ARG 344 Ca 0.01 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 2isa h ARG 344 Cb 0.38 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2isa h ARG 344 CO 0.00 0.91 -0.27 1.28 -1.51 0.00 0.00 179.97 180.39 2isa n LEU 345 N -4.01 0.00 0.00 3.80 4.77 0.36 -4.47 117.00 117.45 2isa n LEU 345 Ca -0.02 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 2isa n LEU 345 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2isa n LEU 345 CO 0.46 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2isa n GLY 346 N 1.34 1.56 0.34 -0.72 0.00 -0.53 -4.48 105.19 102.71 2isa n GLY 346 Ca 0.00 -1.70 0.13 0.00 0.00 0.00 0.00 46.02 44.45 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 0.87 -0.54 1.61 3.04 -1.87 -2.19 116.25 117.17 2isa h VAL 347 Ca 0.00 -0.07 -0.05 0.00 -1.01 0.00 0.00 66.70 65.56 2isa h VAL 347 Cb 0.00 0.65 -0.03 0.00 -2.01 0.00 0.00 31.29 29.89 2isa h VAL 347 CO 0.00 0.04 0.07 0.59 -1.01 0.00 0.00 177.57 177.26 2isa n ASN 348 N -4.45 4.94 0.30 3.17 3.02 -1.26 -4.58 115.26 116.40 2isa n ASN 348 Ca 0.07 -2.88 0.19 0.00 -0.03 0.00 0.00 54.58 51.93 2isa n ASN 348 Cb 0.38 -0.68 1.01 0.00 -0.61 0.00 0.00 39.78 39.88 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 3.15 0.00 0.00 3.10 2.07 -1.61 -0.77 115.15 121.09 2isa h HIS 349 Ca 0.07 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.59 2isa h HIS 349 Cb 1.89 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.87 2isa h HIS 349 CO 1.01 0.00 0.00 1.04 -3.07 0.00 0.00 177.93 176.91 2isa n GLN 350 N -2.87 0.91 0.03 5.12 6.02 -1.26 -1.58 117.38 123.76 2isa n GLN 350 Ca -0.02 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.09 2isa n GLN 350 Cb 0.14 -1.49 0.34 0.00 1.02 0.00 0.00 30.24 30.26 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 -0.99 0.28 -1.97 1.08 8.25 -0.29 -3.07 115.22 118.51 2isa n HIS 351 Ca 0.21 0.08 -0.42 0.00 -0.26 0.00 0.00 57.72 57.33 2isa n HIS 351 Cb 0.10 -0.52 -0.03 0.00 1.12 0.00 0.00 29.99 30.66 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 -3.06 3.30 0.30 1.59 1.01 -0.61 -4.80 121.20 118.92 2isa s ILE 352 Ca 0.10 0.59 -0.01 0.00 0.00 0.00 0.00 60.65 61.33 2isa s ILE 352 Cb 0.16 -3.38 0.42 0.00 0.01 0.00 0.00 42.46 39.67 2isa s ILE 352 CO 0.65 -0.02 1.57 -0.65 0.00 0.00 0.00 174.94 176.49 2isa h PRO 353 N 8.86 0.01 -0.06 2.79 0.11 -1.88 0.42 132.00 142.25 2isa h PRO 353 Ca -0.41 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 2isa h PRO 353 Cb 1.19 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2isa h PRO 353 CO 0.94 0.00 -0.09 -0.24 -0.21 0.00 0.00 178.00 178.41 2isa h VAL 354 N 0.01 1.10 0.00 3.15 3.04 -1.90 -2.56 116.25 119.09 2isa h VAL 354 Ca 0.56 -0.44 0.00 0.00 -1.01 0.00 0.00 66.70 65.81 2isa h VAL 354 Cb 1.08 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 2isa h VAL 354 CO -0.95 0.13 -0.71 0.78 -1.01 0.00 0.00 177.57 175.81 2isa h ASN 355 N 0.08 0.00 -3.93 3.17 2.35 -0.48 -3.48 115.58 113.30 2isa h ASN 355 Ca 0.02 -0.07 -0.53 0.00 -0.55 0.00 0.00 56.30 55.16 2isa h ASN 355 Cb 0.21 0.00 0.10 0.00 0.05 0.00 0.00 38.32 38.68 2isa h ASN 355 CO 0.01 0.04 0.74 0.00 -1.65 0.00 0.00 177.43 176.57 2isa s ALA 356 N -3.27 3.53 0.70 -0.83 0.00 -0.71 -4.87 121.76 116.31 2isa s ALA 356 Ca 0.03 1.48 -0.14 0.00 0.00 0.00 0.00 51.96 53.33 2isa s ALA 356 Cb 0.10 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.67 2isa s ALA 356 CO 0.75 -0.95 1.12 -1.25 0.00 0.00 0.00 175.76 175.42 2isa s PRO 357 N -2.04 2.57 -0.46 0.00 0.04 -1.26 -4.98 135.00 128.87 2isa s PRO 357 Ca 0.52 1.38 0.04 0.00 0.04 0.00 0.00 61.00 62.98 2isa s PRO 357 Cb -0.44 -1.92 0.42 0.00 0.04 0.00 0.00 34.50 32.60 2isa s PRO 357 CO 0.60 -1.42 1.30 0.54 0.04 0.00 0.00 177.00 178.06 2isa n ARG 358 N -2.73 3.36 -4.00 4.56 1.74 -1.26 -4.99 116.66 113.34 2isa n ARG 358 Ca 0.10 -4.22 -0.11 0.00 -0.77 0.00 0.00 57.85 52.86 2isa n ARG 358 Cb 0.52 -2.26 -0.04 0.00 -1.02 0.00 0.00 32.46 29.66 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 -0.47 1.87 -3.84 0.00 -0.02 -1.26 -5.00 135.00 126.28 2isa n PRO 360 Ca -0.02 0.67 -0.16 0.00 -2.02 0.00 0.00 63.50 61.97 2isa n PRO 360 Cb 0.61 -2.31 -0.16 0.00 -0.02 0.00 0.00 33.50 31.62 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 0.06 0.04 -0.43 -1.45 0.11 -1.26 -4.89 120.40 112.58 2isa s VAL 361 Ca 0.71 0.16 0.05 0.00 -2.93 0.00 0.00 61.98 59.97 2isa s VAL 361 Cb -0.70 -0.16 0.17 0.00 -1.53 0.00 0.00 36.38 34.16 2isa s VAL 361 CO 0.48 0.12 0.43 -2.28 -3.33 0.00 0.00 175.10 170.52 2isa s HIS 362 N 1.07 0.43 -2.34 1.54 2.46 -1.26 -5.03 115.29 112.16 2isa s HIS 362 Ca -0.09 -1.89 0.26 0.00 0.47 0.00 0.00 55.06 53.80 2isa s HIS 362 Cb -0.13 -0.62 0.56 0.00 -0.13 0.00 0.00 32.58 32.25 2isa s HIS 362 CO -0.02 -0.94 1.45 -1.13 -2.47 0.00 0.00 174.74 171.63 2isa n SER 363 N 2.90 1.85 0.00 9.88 3.41 -1.26 -4.96 113.62 125.44 2isa n SER 363 Ca 0.27 -1.47 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 2isa n SER 363 Cb 0.50 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 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 0.21 0.00 -1.90 7.33 9.36 -1.26 -4.95 117.16 125.95 2isa n TYR 364 Ca 0.14 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.95 2isa n TYR 364 Cb 0.44 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.13 2isa n TYR 364 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 2isa s HIS 365 N 0.00 2.80 0.12 2.98 0.09 -1.26 -4.99 115.29 115.03 2isa s HIS 365 Ca 0.00 1.09 0.09 0.00 -0.00 0.00 0.00 55.06 56.24 2isa s HIS 365 Cb 0.00 -3.93 -0.04 0.00 -0.00 0.00 0.00 32.58 28.61 2isa s HIS 365 CO 0.00 -2.85 -0.16 1.03 -0.00 0.00 0.00 174.74 172.75 2isa s ARG 366 N -1.30 1.85 5.75 1.40 1.81 -1.26 -4.98 118.95 122.21 2isa s ARG 366 Ca 0.56 -1.18 0.00 0.00 -1.72 0.00 0.00 55.73 53.39 2isa s ARG 366 Cb -0.45 -2.14 0.00 0.00 -0.45 0.00 0.00 34.95 31.92 2isa s ARG 366 CO 0.53 0.48 0.00 -0.25 -0.68 0.00 0.00 175.30 175.38 2isa n ASP 367 N 0.70 0.00 0.00 0.23 8.00 -1.26 -5.04 116.55 119.18 2isa n ASP 367 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.35 2isa n ASP 367 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 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 -1.85 3.67 0.44 0.00 -1.26 -4.78 105.19 101.41 2isa n GLY 368 Ca 0.00 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 2isa n GLY 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2isa n ALA 369 N -1.42 0.93 -3.56 4.61 0.00 -1.26 -3.77 120.51 116.03 2isa n ALA 369 Ca 0.00 0.33 -0.23 0.00 0.00 0.00 0.00 53.44 53.54 2isa n ALA 369 Cb 0.00 -2.20 0.05 0.00 0.00 0.00 0.00 19.45 17.30 2isa n ALA 369 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2isa n MET 370 N 0.43 -3.03 -2.92 0.00 2.81 -1.26 -4.50 117.12 108.65 2isa n MET 370 Ca 0.06 0.64 -0.43 0.00 -1.81 0.00 0.00 57.70 56.16 2isa n MET 370 Cb 0.36 -5.03 -0.05 0.00 -0.71 0.00 0.00 33.22 27.80 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 -5.53 3.32 0.00 0.03 6.06 -1.25 -4.89 118.95 116.69 2isa s ARG 371 Ca 0.28 -0.31 0.07 0.00 -2.50 0.00 0.00 55.73 53.27 2isa s ARG 371 Cb -0.07 -4.03 -0.02 0.00 0.06 0.00 0.00 34.95 30.89 2isa s ARG 371 CO 0.81 -1.34 0.49 1.33 -2.50 0.00 0.00 175.30 174.08 2isa n VAL 372 N 6.10 0.00 1.02 7.11 0.24 -1.26 -4.68 118.33 126.85 2isa n VAL 372 Ca 0.01 -0.41 0.12 0.00 -2.04 0.00 0.00 64.34 62.02 2isa n VAL 372 Cb 0.47 1.07 0.32 0.00 -1.47 0.00 0.00 33.84 34.23 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 -0.49 2.28 0.00 -1.34 5.75 -1.26 -4.92 116.55 116.58 2isa n ASP 373 Ca 0.03 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 2isa n ASP 373 Cb 0.14 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 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 1.27 1.03 2.81 6.12 0.00 -1.26 -4.61 105.19 110.55 2isa n GLY 374 Ca 0.17 0.00 -0.22 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 -6.03 -1.15 1.61 5.15 -1.26 -1.13 115.26 112.44 2isa n ASN 375 Ca 0.00 -0.20 -0.15 0.00 -0.60 0.00 0.00 54.58 53.63 2isa n ASN 375 Cb 0.00 -4.91 -0.06 0.00 -0.53 0.00 0.00 39.78 34.28 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 -4.36 0.00 0.00 1.20 3.01 -1.26 -4.83 117.46 111.22 2isa n PHE 376 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.31 2isa n PHE 376 Cb 0.64 -3.02 0.00 0.00 -0.01 0.00 0.00 39.48 37.09 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 -0.13 3.30 0.37 1.37 0.00 -0.28 -1.96 105.19 107.85 2isa n GLY 377 Ca -0.15 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 4.08 1.13 -4.68 1.61 7.64 -1.26 -4.93 113.62 117.21 2isa n SER 378 Ca 0.00 -1.51 -0.45 0.00 1.01 0.00 0.00 58.87 57.92 2isa n SER 378 Cb 0.00 -0.04 -0.04 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 -0.07 0.05 -1.22 0.44 -1.04 -0.83 -4.94 114.28 106.68 2isa n THR 379 Ca 0.17 -0.01 -0.35 0.00 -2.04 0.00 0.00 64.05 61.82 2isa n THR 379 Cb 0.26 -1.66 0.09 0.00 -1.82 0.00 0.00 70.33 67.20 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 3.50 2.11 -0.51 -4.42 -0.00 -1.26 -4.96 117.00 111.46 2isa n LEU 380 Ca 0.16 0.59 0.05 0.00 -0.00 0.00 0.00 56.01 56.81 2isa n LEU 380 Cb 0.31 -1.32 0.12 0.00 -0.00 0.00 0.00 43.42 42.53 2isa n LEU 380 CO 0.63 -2.61 0.59 0.61 -0.00 0.00 0.00 177.39 176.61 2isa n GLY 381 N 1.29 2.62 3.44 1.47 0.00 -1.26 -5.02 105.19 107.73 2isa n GLY 381 Ca 0.11 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.99 2.34 -0.17 1.61 1.13 -1.26 -5.09 117.35 114.92 2isa s TYR 382 Ca 0.18 -0.34 -0.11 0.00 -1.41 0.00 0.00 57.07 55.38 2isa s TYR 382 Cb 0.10 -1.16 0.05 0.00 -1.10 0.00 0.00 41.96 39.85 2isa s TYR 382 CO 0.13 0.49 0.43 -2.00 -2.51 0.00 0.00 175.55 172.09 2isa s GLU 383 N -2.66 0.44 0.42 -3.49 -6.30 -1.26 -4.27 118.70 101.59 2isa s GLU 383 Ca 0.21 0.74 -0.26 0.00 -2.50 0.00 0.00 54.97 53.16 2isa s GLU 383 Cb -0.08 0.08 -0.09 0.00 0.00 0.00 0.00 34.13 34.03 2isa s GLU 383 CO 0.10 -0.12 1.44 -0.35 0.02 0.00 0.00 175.26 176.34 2isa n PRO 384 N 3.77 2.36 -4.11 4.30 -0.04 -1.26 -5.19 135.00 134.83 2isa n PRO 384 Ca -0.20 0.83 -0.10 0.00 -0.04 0.00 0.00 63.50 64.00 2isa n PRO 384 Cb 0.56 -2.62 -0.09 0.00 -0.04 0.00 0.00 33.50 31.31 2isa n PRO 384 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2isa s ASN 385 N -0.37 0.22 -0.05 3.54 2.20 -1.26 -5.06 114.94 114.16 2isa s ASN 385 Ca 0.59 -1.16 0.10 0.00 -0.94 0.00 0.00 52.86 51.45 2isa s ASN 385 Cb -0.46 0.34 0.38 0.00 -2.00 0.00 0.00 41.25 39.50 2isa s ASN 385 CO 0.60 -0.79 1.23 -0.90 -2.94 0.00 0.00 177.10 174.30 2isa n ASP 386 N -0.15 2.65 -0.32 3.54 5.75 -1.26 -3.79 116.55 122.98 2isa n ASP 386 Ca -0.05 -2.20 0.05 0.00 -0.01 0.00 0.00 54.79 52.58 2isa n ASP 386 Cb 0.64 -0.40 0.02 0.00 -1.03 0.00 0.00 41.12 40.34 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 0.50 1.43 -1.31 0.11 6.02 -1.26 -4.98 117.38 117.89 2isa n GLN 387 Ca 0.14 -0.84 -0.11 0.00 -0.01 0.00 0.00 57.00 56.18 2isa n GLN 387 Cb 0.50 -1.14 -0.05 0.00 1.02 0.00 0.00 30.24 30.58 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 0.79 1.17 3.80 1.08 0.00 -1.25 -5.00 105.19 105.78 2isa n GLY 388 Ca 0.05 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.80 4.07 -1.35 1.61 2.00 -1.26 -3.89 119.66 118.04 2isa s GLN 389 Ca 0.00 1.31 -0.08 0.00 -2.00 0.00 0.00 55.36 54.59 2isa s GLN 389 Cb 0.00 -2.26 0.02 0.00 0.80 0.00 0.00 33.01 31.57 2isa s GLN 389 CO 0.00 -0.19 1.12 0.91 -0.50 0.00 0.00 175.29 176.63 2isa n TRP 390 N -0.58 -2.69 -2.43 1.67 5.03 -1.26 -4.75 117.44 112.42 2isa n TRP 390 Ca 0.07 0.99 -0.42 0.00 3.03 0.00 0.00 57.50 61.17 2isa n TRP 390 Cb 0.52 -4.94 -0.03 0.00 -1.03 0.00 0.00 31.31 25.84 2isa n TRP 390 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2isa s ALA 391 N -3.33 3.53 0.90 6.99 0.00 -1.25 -5.01 121.76 123.59 2isa s ALA 391 Ca 0.48 0.61 -0.11 0.00 0.00 0.00 0.00 51.96 52.94 2isa s ALA 391 Cb -0.21 -3.54 0.13 0.00 0.00 0.00 0.00 23.12 19.50 2isa s ALA 391 CO 0.74 -0.85 1.09 -1.83 0.00 0.00 0.00 175.76 174.92 2isa s GLU 392 N 2.46 1.20 -0.66 0.00 -1.05 -1.26 -5.02 118.70 114.37 2isa s GLU 392 Ca 0.56 1.02 0.05 0.00 -0.15 0.00 0.00 54.97 56.45 2isa s GLU 392 Cb -0.25 -1.79 0.17 0.00 -0.44 0.00 0.00 34.13 31.83 2isa s GLU 392 CO 0.21 -2.33 0.48 1.04 0.95 0.00 0.00 175.26 175.61 2isa n GLN 393 N -3.97 1.61 0.32 -4.83 6.02 -1.26 -4.96 117.38 110.31 2isa n GLN 393 Ca 0.08 -4.30 0.21 0.00 -0.01 0.00 0.00 57.00 52.98 2isa n GLN 393 Cb 0.54 -2.19 1.07 0.00 1.02 0.00 0.00 30.24 30.68 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 5.37 0.00 -0.03 -1.09 0.13 -2.01 -1.86 132.00 132.51 2isa h PRO 394 Ca 0.17 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.31 2isa h PRO 394 Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 2isa h PRO 394 CO 0.67 0.00 0.03 -0.44 -0.23 0.00 0.00 178.00 178.03 2isa h ASP 395 N 0.00 0.00 -0.46 1.44 3.32 -2.05 -1.68 116.42 116.99 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 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 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 -3.90 0.67 -1.91 4.55 3.72 -0.70 -4.96 117.46 114.93 2isa n PHE 396 Ca -0.02 -0.32 -0.42 0.00 -0.05 0.00 0.00 57.45 56.64 2isa n PHE 396 Cb 0.12 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.61 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 -0.96 6.55 0.50 4.37 0.15 -0.63 -5.01 113.70 118.66 2isa s SER 397 Ca 0.31 2.73 -0.18 0.00 0.70 0.00 0.00 55.95 59.52 2isa s SER 397 Cb 0.17 -2.61 -0.08 0.00 -1.71 0.00 0.00 66.02 61.78 2isa s SER 397 CO 0.20 -0.81 0.99 -1.61 1.20 0.00 0.00 173.24 173.21 2isa s GLU 398 N 0.23 3.94 0.60 5.44 2.02 -1.26 -5.06 118.70 124.61 2isa s GLU 398 Ca 0.65 1.03 -0.17 0.00 0.02 0.00 0.00 54.97 56.50 2isa s GLU 398 Cb -0.44 -2.13 -0.03 0.00 0.10 0.00 0.00 34.13 31.62 2isa s GLU 398 CO 0.39 -0.28 1.11 -1.25 0.02 0.00 0.00 175.26 175.25 2isa s PRO 399 N -3.84 3.14 0.92 0.39 0.04 -1.26 -5.03 135.00 129.36 2isa s PRO 399 Ca 0.60 1.44 -0.11 0.00 0.04 0.00 0.00 61.00 62.98 2isa s PRO 399 Cb -0.11 -1.99 0.13 0.00 0.04 0.00 0.00 34.50 32.57 2isa s PRO 399 CO 0.27 -0.99 1.03 -2.30 0.04 0.00 0.00 177.00 175.05 2isa n PRO 400 N -1.87 -0.40 -4.41 0.56 -0.02 -1.26 -5.03 135.00 122.58 2isa n PRO 400 Ca 0.11 -0.05 -0.33 0.00 -2.02 0.00 0.00 63.50 61.20 2isa n PRO 400 Cb 0.52 -2.30 -0.16 0.00 -0.02 0.00 0.00 33.50 31.54 2isa n PRO 400 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2isa s LEU 401 N -5.64 2.23 0.46 2.45 2.96 -1.26 -5.11 118.68 114.77 2isa s LEU 401 Ca 0.66 -0.58 -0.23 0.00 -0.22 0.00 0.00 54.13 53.75 2isa s LEU 401 Cb -0.23 -1.50 -0.07 0.00 0.50 0.00 0.00 46.19 44.89 2isa s LEU 401 CO 0.59 0.05 1.22 0.20 -1.32 0.00 0.00 176.35 177.09 2isa s ASN 402 N 1.02 6.07 0.11 3.68 0.02 -1.26 -5.03 114.94 119.56 2isa s ASN 402 Ca -0.02 2.44 0.07 0.00 -1.02 0.00 0.00 52.86 54.33 2isa s ASN 402 Cb -0.15 -2.61 -0.04 0.00 0.02 0.00 0.00 41.25 38.48 2isa s ASN 402 CO -0.06 -0.99 -0.17 -0.76 0.02 0.00 0.00 177.10 175.14 2isa s LEU 403 N -2.97 2.34 -0.10 0.60 1.02 -1.26 -5.15 118.68 113.16 2isa s LEU 403 Ca 0.63 -0.73 -0.05 0.00 0.02 0.00 0.00 54.13 54.00 2isa s LEU 403 Cb -0.32 -0.69 0.05 0.00 0.02 0.00 0.00 46.19 45.24 2isa s LEU 403 CO 0.39 -0.04 0.24 -0.62 0.02 0.00 0.00 176.35 176.34 2isa s ASP 404 N -2.13 -0.14 0.00 2.29 3.68 -1.26 -5.15 116.67 113.96 2isa s ASP 404 Ca 0.06 0.51 0.00 0.00 2.13 0.00 0.00 52.55 55.25 2isa s ASP 404 Cb -0.08 0.42 0.00 0.00 -1.45 0.00 0.00 42.92 41.81 2isa s ASP 404 CO 0.04 -0.18 0.00 0.61 0.13 0.00 0.00 175.17 175.77 2isa n GLY 405 N 4.41 2.00 3.81 2.66 0.00 -1.26 -5.07 105.19 111.74 2isa n GLY 405 Ca -0.22 -2.03 -0.32 0.00 0.00 0.00 0.00 46.02 43.44 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 -2.21 2.81 -0.14 4.61 0.00 -1.26 -4.99 121.76 120.59 2isa s ALA 406 Ca 0.00 0.33 -0.29 0.00 0.00 0.00 0.00 51.96 52.00 2isa s ALA 406 Cb 0.00 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 2isa s ALA 406 CO 0.00 -0.70 1.86 0.00 0.00 0.00 0.00 175.76 176.93 2isa s ALA 407 N -2.52 3.25 0.22 0.00 0.00 -1.26 -4.95 121.76 116.49 2isa s ALA 407 Ca 0.62 0.82 -0.23 0.00 0.00 0.00 0.00 51.96 53.17 2isa s ALA 407 Cb -0.15 -3.90 0.04 0.00 0.00 0.00 0.00 23.12 19.12 2isa s ALA 407 CO 0.36 -2.01 0.73 0.00 0.00 0.00 0.00 175.76 174.84 2isa s ALA 408 N 5.67 -1.41 -1.09 0.00 0.00 -1.26 -5.07 121.76 118.60 2isa s ALA 408 Ca 0.83 0.03 -0.16 0.00 0.00 0.00 0.00 51.96 52.67 2isa s ALA 408 Cb -0.32 0.81 0.16 0.00 0.00 0.00 0.00 23.12 23.76 2isa s ALA 408 CO 0.34 -0.95 1.29 -1.01 0.00 0.00 0.00 175.76 175.43 2isa s HIS 409 N -3.74 3.38 0.03 0.00 3.76 -1.26 -5.01 115.29 112.45 2isa s HIS 409 Ca 0.08 -1.86 -0.30 0.00 -0.15 0.00 0.00 55.06 52.83 2isa s HIS 409 Cb -0.04 -4.28 -0.06 0.00 1.11 0.00 0.00 32.58 29.32 2isa s HIS 409 CO 0.00 -1.41 1.31 -1.58 -0.85 0.00 0.00 174.74 172.21 2isa s TRP 410 N 1.91 3.15 -0.30 1.40 0.52 -1.26 -4.94 118.94 119.42 2isa s TRP 410 Ca 0.38 1.04 -0.29 0.00 0.02 0.00 0.00 56.10 57.26 2isa s TRP 410 Cb -0.04 -3.56 -0.01 0.00 -1.15 0.00 0.00 33.47 28.71 2isa s TRP 410 CO -0.04 -1.92 1.46 0.34 0.02 0.00 0.00 176.95 176.80 2isa s ASP 411 N 1.43 6.46 0.55 2.95 -1.08 -1.26 -4.88 116.67 120.84 2isa s ASP 411 Ca 0.61 1.26 0.36 0.00 -0.52 0.00 0.00 52.55 54.27 2isa s ASP 411 Cb -0.31 -2.54 1.78 0.00 -1.46 0.00 0.00 42.92 40.40 2isa s ASP 411 CO 0.27 -1.25 2.10 1.12 0.52 0.00 0.00 175.17 177.93 2isa h HIS 412 N 10.28 0.00 0.00 -5.34 2.07 -1.96 -2.86 115.15 117.34 2isa h HIS 412 Ca -0.29 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.23 2isa h HIS 412 Cb 1.12 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.10 2isa h HIS 412 CO 0.91 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 176.31 2isa n ARG 413 N -2.92 0.78 0.09 5.12 1.74 -1.26 -1.95 116.66 118.26 2isa n ARG 413 Ca -0.01 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.11 2isa n ARG 413 Cb 0.17 -1.32 0.46 0.00 -1.02 0.00 0.00 32.46 30.74 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 0.33 -5.18 5.56 4.81 -1.92 -3.35 114.58 114.84 2isa h GLU 414 Ca 0.00 -0.04 -0.66 0.00 -0.13 0.00 0.00 59.36 58.53 2isa h GLU 414 Cb 0.00 -0.07 -0.17 0.00 0.63 0.00 0.00 28.75 29.15 2isa h GLU 414 CO 0.00 0.29 0.21 0.34 -0.73 0.00 0.00 179.01 179.12 2isa s ASP 415 N -6.83 6.24 -0.12 1.04 -1.08 -0.82 -4.91 116.67 110.19 2isa s ASP 415 Ca -0.07 -0.84 0.18 0.00 -0.52 0.00 0.00 52.55 51.30 2isa s ASP 415 Cb 0.17 -2.33 0.71 0.00 -1.46 0.00 0.00 42.92 40.01 2isa s ASP 415 CO 0.72 -1.03 1.61 -0.62 0.52 0.00 0.00 175.17 176.38 2isa n GLU 416 N 6.58 3.73 -2.46 4.34 1.02 -1.26 -4.76 120.64 127.83 2isa n GLU 416 Ca -0.05 -2.80 -0.39 0.00 -0.02 0.00 0.00 57.16 53.90 2isa n GLU 416 Cb 0.46 -1.90 -0.03 0.00 -0.02 0.00 0.00 31.44 29.94 2isa n GLU 416 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2isa s ASP 417 N -0.87 6.30 -0.03 1.62 2.15 -1.26 -4.62 116.67 119.97 2isa s ASP 417 Ca 0.50 -1.62 0.20 0.00 0.43 0.00 0.00 52.55 52.06 2isa s ASP 417 Cb 0.33 -2.57 -0.30 0.00 -0.30 0.00 0.00 42.92 40.07 2isa s ASP 417 CO 0.24 -1.70 0.46 -1.22 -0.17 0.00 0.00 175.17 172.78 2isa n TYR 418 N 9.83 0.00 -0.00 -5.34 4.01 -1.26 -4.79 117.16 119.60 2isa n TYR 418 Ca 0.39 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 58.14 2isa n TYR 418 Cb 0.49 -0.43 -0.02 0.00 -0.31 0.00 0.00 39.34 39.07 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 -2.15 0.00 -0.07 -0.72 3.72 -1.26 -4.64 117.46 112.35 2isa n PHE 419 Ca -0.03 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.27 2isa n PHE 419 Cb 0.51 -0.07 -0.04 0.00 -0.94 0.00 0.00 39.48 38.94 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 0.30 -0.21 4.37 4.64 -1.86 -1.28 113.55 119.50 2isa h SER 420 Ca -0.01 -0.13 -0.16 0.00 -0.47 0.00 0.00 61.79 61.01 2isa h SER 420 Cb 0.35 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2isa h SER 420 CO 0.00 0.35 -0.49 1.56 -0.87 0.00 0.00 176.83 177.38 2isa h GLN 421 N 0.23 0.71 -1.00 4.77 4.20 -1.93 -0.56 115.11 121.53 2isa h GLN 421 Ca 0.08 -0.48 0.10 0.00 0.06 0.00 0.00 58.65 58.41 2isa h GLN 421 Cb 0.13 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 27.90 2isa h GLN 421 CO -0.01 1.10 0.63 -1.35 -0.67 0.00 0.00 178.83 178.54 2isa h PRO 422 N 0.42 1.02 -0.40 1.46 0.11 -1.83 -1.47 132.00 131.32 2isa h PRO 422 Ca -0.00 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.07 2isa h PRO 422 Cb 1.10 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 31.95 2isa h PRO 422 CO 0.11 0.67 0.22 0.78 -0.21 0.00 0.00 178.00 179.58 2isa h GLY 423 N 1.05 0.55 0.58 -0.55 0.00 -0.97 -0.66 103.07 103.08 2isa h GLY 423 Ca 0.48 -0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.67 2isa h GLY 423 CO -0.24 0.14 -0.11 -0.55 0.00 0.00 0.00 176.54 175.78 2isa h ASP 424 N 0.45 -0.35 -0.35 0.19 3.32 -0.60 0.18 116.42 119.28 2isa h ASP 424 Ca 0.16 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.32 2isa h ASP 424 Cb 0.03 0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 2isa h ASP 424 CO -0.09 -0.15 0.13 0.25 -1.72 0.00 0.00 179.24 177.66 2isa h LEU 425 N -0.14 0.14 -0.89 1.55 5.85 -1.10 -1.82 115.31 118.91 2isa h LEU 425 Ca 0.08 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.86 2isa h LEU 425 Cb 0.25 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 2isa h LEU 425 CO -0.19 0.12 0.58 0.15 -0.34 0.00 0.00 178.44 178.76 2isa h PHE 426 N 0.28 1.09 0.00 1.25 3.57 -0.89 -2.36 116.94 119.89 2isa h PHE 426 Ca 0.16 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 2isa h PHE 426 Cb 0.12 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 38.49 2isa h PHE 426 CO -0.14 0.65 -0.11 0.78 -2.23 0.00 0.00 178.31 177.27 2isa h GLY 427 N 1.15 0.00 1.60 2.40 0.00 -0.37 -2.57 103.07 105.27 2isa h GLY 427 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2isa h GLY 427 CO -0.10 0.00 -0.29 1.04 0.00 0.00 0.00 176.54 177.19 2isa n LEU 428 N -4.21 0.72 -4.77 3.11 4.77 -0.74 -4.88 117.00 111.00 2isa n LEU 428 Ca -0.03 0.40 -0.39 0.00 -0.03 0.00 0.00 56.01 55.96 2isa n LEU 428 Cb 0.19 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 2isa n LEU 428 CO 0.34 -0.11 0.85 -0.04 -1.33 0.00 0.00 177.39 177.10 2isa s MET 429 N -3.12 4.29 0.99 3.23 -1.94 -0.97 -5.03 119.30 116.75 2isa s MET 429 Ca 0.09 1.88 -0.12 0.00 -1.71 0.00 0.00 55.69 55.83 2isa s MET 429 Cb 0.13 -2.90 0.19 0.00 2.01 0.00 0.00 34.83 34.26 2isa s MET 429 CO 0.65 -0.12 1.08 0.95 -0.01 0.00 0.00 175.02 177.57 2isa s THR 430 N -1.30 2.31 0.28 2.05 -4.23 -1.26 -4.77 115.64 108.71 2isa s THR 430 Ca 0.52 0.10 -0.00 0.00 -1.18 0.00 0.00 61.69 61.12 2isa s THR 430 Cb -0.32 -2.37 0.28 0.00 1.34 0.00 0.00 72.50 71.43 2isa s THR 430 CO 0.41 -0.13 1.87 0.00 -0.54 0.00 0.00 174.62 176.24 2isa h ALA 431 N -1.98 1.47 -0.11 3.99 0.00 -1.97 -0.96 119.26 119.69 2isa h ALA 431 Ca -0.52 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2isa h ALA 431 Cb 1.30 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2isa h ALA 431 CO 0.51 0.36 0.07 1.49 0.00 0.00 0.00 179.25 181.67 2isa h GLU 432 N 1.09 0.15 -0.13 0.00 4.57 -2.00 -1.29 114.58 116.98 2isa h GLU 432 Ca 0.45 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.49 2isa h GLU 432 Cb 0.28 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 2isa h GLU 432 CO -0.20 0.13 -0.48 0.87 -1.18 0.00 0.00 179.01 178.15 2isa h LYS 433 N 0.13 0.32 -0.54 1.92 1.57 -1.84 -2.16 116.57 115.97 2isa h LYS 433 Ca 0.04 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 2isa h LYS 433 Cb 0.01 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2isa h LYS 433 CO -0.01 0.74 0.27 1.96 -0.57 0.00 0.00 179.45 181.84 2isa h GLN 434 N 0.26 0.77 -0.67 3.15 4.20 -1.05 -1.09 115.11 120.66 2isa h GLN 434 Ca 0.01 -0.11 0.03 0.00 0.06 0.00 0.00 58.65 58.65 2isa h GLN 434 Cb 0.95 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.54 2isa h GLN 434 CO 0.08 0.62 0.42 0.00 -0.67 0.00 0.00 178.83 179.27 2isa h ALA 435 N 1.11 0.88 -0.50 3.87 0.00 -0.98 -0.59 119.26 123.05 2isa h ALA 435 Ca 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2isa h ALA 435 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2isa h ALA 435 CO -0.03 0.17 0.29 0.82 0.00 0.00 0.00 179.25 180.50 2isa h ILE 436 N 0.81 1.16 -0.20 0.00 2.04 -1.23 -1.78 117.51 118.30 2isa h ILE 436 Ca 0.28 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.78 2isa h ILE 436 Cb 0.04 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 2isa h ILE 436 CO -0.12 0.17 0.03 0.25 0.00 0.00 0.00 178.15 178.48 2isa h LEU 437 N 0.66 -0.01 -0.29 1.44 6.46 -0.63 0.03 115.31 122.97 2isa h LEU 437 Ca 0.18 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.96 2isa h LEU 437 Cb 0.01 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 39.98 2isa h LEU 437 CO -0.03 0.03 0.15 -0.26 -0.62 0.00 0.00 178.44 177.71 2isa h PHE 438 N 0.11 0.40 0.77 1.25 0.05 -0.91 -1.23 116.94 117.39 2isa h PHE 438 Ca 0.09 -0.01 -0.04 0.00 3.82 0.00 0.00 57.97 61.83 2isa h PHE 438 Cb 0.09 -0.13 0.01 0.00 2.00 0.00 0.00 35.95 37.92 2isa h PHE 438 CO -0.15 0.34 -0.39 0.22 -0.18 0.00 0.00 178.31 178.15 2isa h ASP 439 N 0.35 -0.94 -0.78 2.17 3.58 -1.21 0.14 116.42 119.74 2isa h ASP 439 Ca 0.10 0.04 0.17 0.00 0.42 0.00 0.00 57.03 57.76 2isa h ASP 439 Cb 0.07 0.25 -0.11 0.00 1.72 0.00 0.00 39.33 41.26 2isa h ASP 439 CO -0.02 -0.65 0.25 0.78 -2.88 0.00 0.00 179.24 176.73 2isa h ASN 440 N -1.06 0.14 -0.10 2.28 -0.26 -0.96 -1.13 115.58 114.49 2isa h ASN 440 Ca -0.10 0.14 -0.04 0.00 -0.56 0.00 0.00 56.30 55.74 2isa h ASN 440 Cb 0.82 0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 38.24 2isa h ASN 440 CO 0.16 0.00 -0.09 0.74 -1.06 0.00 0.00 177.43 177.18 2isa h THR 441 N 0.34 1.36 -0.80 2.81 2.02 -0.99 -1.71 112.91 115.94 2isa h THR 441 Ca 0.45 -1.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 2isa h THR 441 Cb 0.77 1.97 -0.04 0.00 -1.74 0.00 0.00 68.15 69.12 2isa h THR 441 CO -0.49 0.35 0.37 0.00 0.37 0.00 0.00 175.52 176.12 2isa h ALA 442 N 0.58 1.03 -0.14 6.16 0.00 -0.40 -0.76 119.26 125.72 2isa h ALA 442 Ca 0.02 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 2isa h ALA 442 Cb 0.61 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2isa h ALA 442 CO 0.02 0.61 -0.63 0.00 0.00 0.00 0.00 179.25 179.25 2isa h ARG 443 N 1.14 0.51 -0.14 0.00 3.08 -1.24 -2.76 114.38 114.98 2isa h ARG 443 Ca 0.27 -0.36 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 2isa h ARG 443 Cb 0.14 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2isa h ARG 443 CO -0.03 0.98 -0.13 -0.97 -1.07 0.00 0.00 179.97 178.75 2isa h ASN 444 N 0.38 0.20 0.12 7.04 -0.73 -1.05 -2.58 115.58 118.96 2isa h ASN 444 Ca -0.01 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.12 2isa h ASN 444 Cb 1.19 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.73 2isa h ASN 444 CO 0.12 0.36 -0.01 0.18 -0.37 0.00 0.00 177.43 177.71 2isa n LEU 445 N -4.28 0.18 -4.73 0.34 4.77 -0.31 -4.90 117.00 108.06 2isa n LEU 445 Ca -0.01 -0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.55 2isa n LEU 445 Cb 0.26 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 2isa n LEU 445 CO 0.38 0.03 1.29 0.21 -1.33 0.00 0.00 177.39 177.97 2isa s ASN 446 N -2.13 6.44 0.00 -1.43 3.84 -0.97 -2.00 114.94 118.68 2isa s ASN 446 Ca 0.42 2.82 0.00 0.00 0.21 0.00 0.00 52.86 56.32 2isa s ASN 446 Cb 0.21 -2.61 0.00 0.00 -0.55 0.00 0.00 41.25 38.31 2isa s ASN 446 CO 0.39 -0.91 0.00 0.61 -2.79 0.00 0.00 177.10 174.40 2isa n GLY 447 N 3.32 2.11 3.72 1.21 0.00 -1.26 -4.98 105.19 109.31 2isa n GLY 447 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.99 4.51 0.12 1.61 1.01 -0.85 -4.89 120.40 118.93 2isa s VAL 448 Ca 0.00 1.89 -0.33 0.00 0.00 0.00 0.00 61.98 63.54 2isa s VAL 448 Cb 0.00 -4.21 -0.18 0.00 0.00 0.00 0.00 36.38 31.99 2isa s VAL 448 CO 0.00 0.20 0.85 -2.65 0.00 0.00 0.00 175.10 173.50 2isa n PRO 449 N 3.50 0.24 -0.17 2.72 -0.02 -1.26 -4.66 135.00 135.35 2isa n PRO 449 Ca 0.05 0.08 -0.01 0.00 -2.02 0.00 0.00 63.50 61.61 2isa n PRO 449 Cb 0.49 -1.37 0.08 0.00 -0.02 0.00 0.00 33.50 32.68 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 2.20 0.21 -0.59 -0.52 3.64 -1.98 -1.22 116.57 118.31 2isa h LYS 450 Ca -0.40 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.08 2isa h LYS 450 Cb 1.42 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.15 2isa h LYS 450 CO 0.62 0.14 0.40 1.05 -2.27 0.00 0.00 179.45 179.40 2isa h GLU 451 N 0.22 0.31 -0.04 1.90 9.09 -1.99 0.26 114.58 124.33 2isa h GLU 451 Ca 0.27 -0.02 -0.12 0.00 0.05 0.00 0.00 59.36 59.55 2isa h GLU 451 Cb 0.39 -0.07 0.01 0.00 -1.65 0.00 0.00 28.75 27.43 2isa h GLU 451 CO -0.37 0.20 -0.44 0.82 0.05 0.00 0.00 179.01 179.27 2isa h ILE 452 N 0.32 1.44 -0.68 -1.06 2.04 -1.59 -2.46 117.51 115.51 2isa h ILE 452 Ca 0.28 -1.91 0.12 0.00 1.00 0.00 0.00 64.86 64.35 2isa h ILE 452 Cb 0.67 2.48 -0.09 0.00 -0.74 0.00 0.00 36.82 39.14 2isa h ILE 452 CO -0.07 0.55 0.25 1.56 0.00 0.00 0.00 178.15 180.44 2isa h GLN 453 N -0.15 0.39 -0.33 2.37 4.20 -0.59 -2.53 115.11 118.47 2isa h GLN 453 Ca -0.05 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.55 2isa h GLN 453 Cb 1.13 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 2isa h GLN 453 CO 0.09 0.26 -0.19 1.25 -0.67 0.00 0.00 178.83 179.57 2isa h LEU 454 N 0.40 0.62 -0.83 1.46 5.85 -0.55 -0.95 115.31 121.31 2isa h LEU 454 Ca 0.36 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.94 2isa h LEU 454 Cb 0.51 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 2isa h LEU 454 CO -0.37 0.82 0.51 0.03 -0.34 0.00 0.00 178.44 179.09 2isa h ARG 455 N 0.56 0.90 -0.04 1.25 2.47 -1.04 -1.09 114.38 117.39 2isa h ARG 455 Ca 0.09 -0.05 -0.10 0.00 -1.26 0.00 0.00 59.98 58.65 2isa h ARG 455 Cb 0.64 -0.20 0.01 0.00 -1.65 0.00 0.00 29.97 28.76 2isa h ARG 455 CO 0.04 0.60 -0.38 1.25 0.56 0.00 0.00 179.97 182.04 2isa h HIS 456 N 0.93 0.46 -0.48 3.04 2.76 -1.03 -2.47 115.15 118.37 2isa h HIS 456 Ca 0.36 -0.22 0.07 0.00 -2.20 0.00 0.00 60.37 58.38 2isa h HIS 456 Cb 0.17 -0.06 -0.06 0.00 1.55 0.00 0.00 27.41 29.01 2isa h HIS 456 CO -0.04 0.99 0.13 0.28 -1.30 0.00 0.00 177.93 178.00 2isa h VAL 457 N -0.21 0.79 -0.49 5.26 2.07 -1.19 -0.70 116.25 121.78 2isa h VAL 457 Ca -0.04 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.45 2isa h VAL 457 Cb 1.07 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 2isa h VAL 457 CO 0.08 0.05 0.16 0.74 0.02 0.00 0.00 177.57 178.62 2isa h THR 458 N 0.29 0.82 -0.33 2.57 2.02 -1.23 -0.59 112.91 116.46 2isa h THR 458 Ca 0.23 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.32 2isa h THR 458 Cb 0.27 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 2isa h THR 458 CO -0.27 0.06 0.15 0.45 0.37 0.00 0.00 175.52 176.28 2isa h HIS 459 N 0.34 0.28 -0.93 3.16 3.86 -0.92 -2.22 115.15 118.72 2isa h HIS 459 Ca 0.23 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.50 2isa h HIS 459 Cb 0.25 -0.08 -0.06 0.00 1.06 0.00 0.00 27.41 28.59 2isa h HIS 459 CO -0.17 0.15 0.60 0.00 0.86 0.00 0.00 177.93 179.37 2isa h TYR 461 N 1.14 0.95 0.00 0.00 3.20 -0.80 -0.96 116.97 120.50 2isa h TYR 461 Ca 0.38 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 62.13 2isa h TYR 461 Cb 0.06 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 2isa h TYR 461 CO -0.01 0.70 -0.41 0.87 -1.64 0.00 0.00 178.16 177.66 2isa h LYS 462 N 0.96 0.00 0.01 1.82 1.57 -0.92 -2.57 116.57 117.44 2isa h LYS 462 Ca 0.24 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2isa h LYS 462 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2isa h LYS 462 CO -0.03 0.41 -0.00 0.00 -0.57 0.00 0.00 179.45 179.26 2isa h ALA 463 N 1.59 -0.01 -1.93 3.86 0.00 -0.85 -3.45 119.26 118.47 2isa h ALA 463 Ca -0.00 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.72 2isa h ALA 463 Cb 1.00 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.58 2isa h ALA 463 CO 0.05 -0.28 0.06 0.34 0.00 0.00 0.00 179.25 179.43 2isa s ASP 464 N -5.65 -0.90 0.43 0.00 -1.08 -0.41 -4.17 116.67 104.89 2isa s ASP 464 Ca -0.16 1.42 0.15 0.00 -0.52 0.00 0.00 52.55 53.45 2isa s ASP 464 Cb 0.02 1.41 1.05 0.00 -1.46 0.00 0.00 42.92 43.95 2isa s ASP 464 CO 0.67 -0.22 1.95 -0.65 0.52 0.00 0.00 175.17 177.43 2isa h PRO 465 N 6.93 0.39 0.00 4.34 0.11 -1.70 -1.19 132.00 140.88 2isa h PRO 465 Ca -0.29 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.75 2isa h PRO 465 Cb 1.22 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2isa h PRO 465 CO 0.16 0.26 -0.22 0.00 -0.21 0.00 0.00 178.00 177.99 2isa h ALA 466 N 1.67 1.16 -0.00 -0.75 0.00 -1.90 -0.44 119.26 118.99 2isa h ALA 466 Ca 0.33 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2isa h ALA 466 Cb 0.73 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.49 2isa h ALA 466 CO -0.10 0.28 -0.27 -0.92 0.00 0.00 0.00 179.25 178.24 2isa h TYR 467 N 0.00 0.28 -0.32 0.00 3.20 -1.48 -2.00 116.97 116.64 2isa h TYR 467 Ca -0.00 -0.15 -0.00 0.00 3.14 0.00 0.00 58.73 61.71 2isa h TYR 467 Cb 0.60 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 2isa h TYR 467 CO 0.00 0.95 0.19 0.78 -1.64 0.00 0.00 178.16 178.44 2isa h GLY 468 N -0.47 0.47 1.59 1.82 0.00 -1.34 -3.14 103.07 101.99 2isa h GLY 468 Ca -0.03 -0.20 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 2isa h GLY 468 CO 0.05 0.20 -0.37 -2.09 0.00 0.00 0.00 176.54 174.33 2isa h GLU 469 N 0.41 0.46 -0.58 4.80 4.81 -1.16 0.80 114.58 124.12 2isa h GLU 469 Ca 0.11 -0.21 0.04 0.00 -0.13 0.00 0.00 59.36 59.17 2isa h GLU 469 Cb 0.03 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 2isa h GLU 469 CO -0.02 0.76 0.38 0.78 -0.73 0.00 0.00 179.01 180.19 2isa h GLY 470 N 1.10 0.74 0.67 1.92 0.00 -1.33 -0.18 103.07 105.98 2isa h GLY 470 Ca 0.04 -0.25 -0.35 0.00 0.00 0.00 0.00 47.33 46.77 2isa h GLY 470 CO 0.07 0.21 -1.95 1.39 0.00 0.00 0.00 176.54 176.25 2isa n ILE 471 N -4.47 1.73 -0.28 2.60 5.41 -1.10 -3.81 119.36 119.44 2isa n ILE 471 Ca 0.07 -0.69 -0.01 0.00 1.00 0.00 0.00 62.75 63.12 2isa n ILE 471 Cb 0.17 -1.53 0.11 0.00 -0.71 0.00 0.00 39.64 37.68 2isa n ILE 471 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2isa h GLY 472 N 1.77 1.14 0.96 7.39 0.00 -0.62 -1.48 103.07 112.23 2isa h GLY 472 Ca -0.40 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 46.59 2isa h GLY 472 CO 0.08 0.27 0.18 0.50 0.00 0.00 0.00 176.54 177.57 2isa h LYS 473 N 0.91 0.35 0.00 4.80 1.57 -1.20 0.12 116.57 123.12 2isa h LYS 473 Ca 0.32 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.05 2isa h LYS 473 Cb 0.09 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2isa h LYS 473 CO -0.14 0.23 -0.15 -0.07 -0.57 0.00 0.00 179.45 178.76 2isa h LEU 474 N 0.36 0.00 -1.75 2.94 3.38 -1.53 -2.24 115.31 116.47 2isa h LEU 474 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2isa h LEU 474 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2isa h LEU 474 CO -0.04 0.15 0.00 0.18 0.09 0.00 0.00 178.44 178.81 2isa n LEU 475 N -3.84 2.67 -0.43 1.67 4.77 -0.60 -4.95 117.00 116.29 2isa n LEU 475 Ca -0.02 -0.99 -0.05 0.00 -0.03 0.00 0.00 56.01 54.92 2isa n LEU 475 Cb 0.25 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 2isa n LEU 475 CO 0.32 0.50 -0.05 0.61 -1.33 0.00 0.00 177.39 177.44 2isa n GLY 476 N 1.33 0.55 3.81 -0.72 0.00 -0.79 -5.02 105.19 104.36 2isa n GLY 476 Ca 0.17 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.20 3.73 0.36 1.61 2.99 -0.04 -5.02 117.98 119.41 2isa s PHE 477 Ca 0.00 1.32 -0.26 0.00 0.00 0.00 0.00 56.93 57.99 2isa s PHE 477 Cb 0.00 -2.55 -0.09 0.00 0.00 0.00 0.00 43.02 40.38 2isa s PHE 477 CO 0.00 0.47 1.06 0.34 -0.00 0.00 0.00 175.22 177.09 2isa s ASP 478 N -1.41 6.94 0.57 1.36 -1.08 -1.26 -4.45 116.67 117.35 2isa s ASP 478 Ca 0.36 2.10 0.26 0.00 -0.52 0.00 0.00 52.55 54.76 2isa s ASP 478 Cb -0.18 -2.60 1.58 0.00 -1.46 0.00 0.00 42.92 40.26 2isa s ASP 478 CO 0.21 -0.36 2.11 -0.29 0.52 0.00 0.00 175.17 177.35 2isa h ILE 479 N 2.50 0.59 0.00 4.11 2.10 -1.97 -0.60 117.51 124.24 2isa h ILE 479 Ca -0.48 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.46 2isa h ILE 479 Cb 1.21 0.86 0.00 0.00 -1.09 0.00 0.00 36.82 37.81 2isa h ILE 479 CO 0.64 0.00 0.00 -1.54 -1.08 0.00 0.00 178.15 176.17 2isa n SER 480 N -4.00 0.00 0.09 2.19 3.41 -1.26 -2.05 113.62 112.00 2isa n SER 480 Ca 0.02 0.26 0.12 0.00 -0.26 0.00 0.00 58.87 59.01 2isa n SER 480 Cb 0.31 -0.39 0.19 0.00 -0.26 0.00 0.00 64.21 64.06 2isa n SER 480 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2isa h GLU 481 N 0.00 0.00 0.00 4.33 5.08 -1.49 -3.40 114.58 119.10 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 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2isa h GLU 481 CO 0.00 0.00 -0.03 2.48 -1.00 0.00 0.00 179.01 180.46 2isa n TYR 482 N -2.35 0.00 -0.13 4.33 0.18 -1.07 -4.86 117.16 113.26 2isa n TYR 482 Ca 0.03 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.92 2isa n TYR 482 Cb 0.47 -0.00 0.26 0.00 -0.38 0.00 0.00 39.34 39.68 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 0.00 3.61 -0.32 9.48 6.94 -0.87 -4.55 115.26 129.56 2isa n ASN 483 Ca 0.00 -1.98 0.04 0.00 -0.02 0.00 0.00 54.58 52.62 2isa n ASN 483 Cb 0.51 -0.37 0.03 0.00 -2.36 0.00 0.00 39.78 37.59 2isa n ASN 483 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99