#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ksc n ASN 8 N 0.00 1.52 0.18 1.69 3.02 -1.26 -4.88 115.26 115.53 3ksc n ASN 8 Ca 0.00 -2.15 0.18 0.00 -0.03 0.00 0.00 54.58 52.58 3ksc n ASN 8 Cb 0.00 -0.41 0.80 0.00 -0.61 0.00 0.00 39.78 39.56 3ksc n ASN 8 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3ksc h GLU 9 N 1.94 0.00 -0.51 3.52 3.07 -1.96 -0.99 114.58 119.66 3ksc h GLU 9 Ca -0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.71 3ksc h GLU 9 Cb 1.51 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.42 3ksc h GLU 9 CO 0.17 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.78 3ksc n GLN 11 N 0.39 4.73 -3.07 0.00 7.27 -0.38 -4.98 117.38 121.35 3ksc n GLN 11 Ca 0.26 -4.06 -0.40 0.00 0.07 0.00 0.00 57.00 52.87 3ksc n GLN 11 Cb 1.10 -2.60 -0.05 0.00 2.41 0.00 0.00 30.24 31.10 3ksc n GLN 11 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3ksc s LEU 12 N -2.70 4.15 0.00 1.69 1.43 -1.26 -4.91 118.68 117.07 3ksc s LEU 12 Ca 0.43 0.91 0.09 0.00 -1.03 0.00 0.00 54.13 54.52 3ksc s LEU 12 Cb 0.15 -2.96 0.22 0.00 0.03 0.00 0.00 46.19 43.63 3ksc s LEU 12 CO -0.06 -0.29 1.13 -0.62 0.23 0.00 0.00 176.35 176.74 3ksc n GLU 13 N 5.06 2.44 -3.32 1.70 -0.58 -1.26 -4.92 120.64 119.75 3ksc n GLU 13 Ca -0.00 -1.79 0.02 0.00 -0.42 0.00 0.00 57.16 54.97 3ksc n GLU 13 Cb 0.50 -1.21 -0.02 0.00 -0.57 0.00 0.00 31.44 30.13 3ksc n GLU 13 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 3ksc s ARG 14 N -0.96 0.55 0.28 3.49 3.00 -1.26 -4.64 118.95 119.42 3ksc s ARG 14 Ca 0.17 1.12 0.07 0.00 -1.00 0.00 0.00 55.73 56.09 3ksc s ARG 14 Cb 0.09 0.64 -0.03 0.00 0.00 0.00 0.00 34.95 35.65 3ksc s ARG 14 CO 0.13 -0.44 0.21 -0.51 0.00 0.00 0.00 175.30 174.68 3ksc s LEU 15 N 2.86 3.69 0.06 -0.88 1.43 0.27 -5.03 118.68 121.08 3ksc s LEU 15 Ca 0.10 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 3ksc s LEU 15 Cb -0.13 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 3ksc s LEU 15 CO -0.20 -0.14 -0.10 -1.81 0.23 0.00 0.00 176.35 174.33 3ksc s ASP 16 N -3.88 1.20 -0.30 2.29 1.11 -1.26 -4.77 116.67 111.06 3ksc s ASP 16 Ca 0.35 -0.60 -0.29 0.00 0.18 0.00 0.00 52.55 52.20 3ksc s ASP 16 Cb -0.07 0.00 0.01 0.00 1.07 0.00 0.00 42.92 43.94 3ksc s ASP 16 CO 0.25 -0.16 1.11 0.00 1.18 0.00 0.00 175.17 177.55 3ksc s ALA 17 N -1.43 3.51 -0.12 5.23 0.00 -1.26 -4.60 121.76 123.09 3ksc s ALA 17 Ca -0.06 0.01 -0.04 0.00 0.00 0.00 0.00 51.96 51.87 3ksc s ALA 17 Cb -0.09 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 3ksc s ALA 17 CO 0.01 -1.46 0.05 -0.51 0.00 0.00 0.00 175.76 173.84 3ksc s LEU 18 N 3.68 3.81 0.31 0.00 1.43 -0.21 -4.85 118.68 122.85 3ksc s LEU 18 Ca 0.47 0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.79 3ksc s LEU 18 Cb -0.13 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 3ksc s LEU 18 CO 0.15 0.33 0.48 -1.61 0.23 0.00 0.00 176.35 175.94 3ksc s GLU 19 N -0.60 3.44 0.35 1.70 2.02 -1.26 -1.26 118.70 123.09 3ksc s GLU 19 Ca 0.11 -0.52 -0.28 0.00 0.02 0.00 0.00 54.97 54.30 3ksc s GLU 19 Cb -0.12 -2.75 -0.12 0.00 0.10 0.00 0.00 34.13 31.25 3ksc s GLU 19 CO 0.02 0.23 1.44 -2.30 0.02 0.00 0.00 175.26 174.68 3ksc n PRO 20 N -1.66 2.49 0.00 0.39 -0.02 -1.26 -4.85 135.00 130.09 3ksc n PRO 20 Ca -0.06 0.88 0.11 0.00 -2.02 0.00 0.00 63.50 62.40 3ksc n PRO 20 Cb 0.57 -2.57 0.06 0.00 -0.02 0.00 0.00 33.50 31.54 3ksc n PRO 20 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3ksc n ASP 21 N 0.90 2.50 -3.80 2.55 3.85 -0.84 -4.93 116.55 116.78 3ksc n ASP 21 Ca 0.04 -1.75 -0.13 0.00 -0.71 0.00 0.00 54.79 52.24 3ksc n ASP 21 Cb 0.37 0.16 -0.12 0.00 -1.35 0.00 0.00 41.12 40.18 3ksc n ASP 21 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 3ksc s ASN 22 N -1.97 -0.21 -0.08 -1.12 2.47 -1.06 -5.03 114.94 107.93 3ksc s ASN 22 Ca 0.22 0.41 0.03 0.00 0.42 0.00 0.00 52.86 53.94 3ksc s ASN 22 Cb 0.17 0.41 0.01 0.00 -1.45 0.00 0.00 41.25 40.39 3ksc s ASN 22 CO 0.35 -0.07 -0.17 -0.13 -3.72 0.00 0.00 177.10 173.36 3ksc s ARG 23 N 0.15 2.29 -0.28 0.43 0.52 -1.26 -1.27 118.95 119.52 3ksc s ARG 23 Ca -0.00 -0.62 -0.02 0.00 -0.52 0.00 0.00 55.73 54.57 3ksc s ARG 23 Cb -0.02 -1.81 0.04 0.00 0.52 0.00 0.00 34.95 33.68 3ksc s ARG 23 CO -0.00 0.08 -0.01 0.42 0.02 0.00 0.00 175.30 175.81 3ksc s ILE 24 N 0.55 3.02 0.26 1.52 -1.09 0.31 -5.00 121.20 120.78 3ksc s ILE 24 Ca -0.16 -1.22 -0.30 0.00 -2.23 0.00 0.00 60.65 56.75 3ksc s ILE 24 Cb -0.17 -2.66 -0.09 0.00 -1.58 0.00 0.00 42.46 37.96 3ksc s ILE 24 CO 0.05 0.00 1.11 -1.61 -1.23 0.00 0.00 174.94 173.27 3ksc s GLU 25 N 1.29 4.62 0.06 2.79 0.41 -1.26 -1.86 118.70 124.75 3ksc s GLU 25 Ca -0.03 1.80 -0.01 0.00 -0.41 0.00 0.00 54.97 56.32 3ksc s GLU 25 Cb -0.19 -3.20 -0.04 0.00 -1.78 0.00 0.00 34.13 28.92 3ksc s GLU 25 CO -0.02 0.17 -0.01 -1.54 -0.49 0.00 0.00 175.26 173.37 3ksc s SER 26 N -0.71 0.46 0.24 -0.19 1.04 -0.43 -4.85 113.70 109.25 3ksc s SER 26 Ca 0.46 -1.00 -0.11 0.00 0.48 0.00 0.00 55.95 55.78 3ksc s SER 26 Cb -0.32 0.22 0.32 0.00 0.10 0.00 0.00 66.02 66.34 3ksc s SER 26 CO 0.40 -0.62 1.60 -0.08 0.98 0.00 0.00 173.24 175.53 3ksc h GLU 27 N 3.11 0.00 -0.51 4.02 4.81 -0.64 -1.87 114.58 123.51 3ksc h GLU 27 Ca -0.34 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 3ksc h GLU 27 Cb 1.15 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3ksc h GLU 27 CO 0.65 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.34 3ksc n GLY 28 N -1.50 3.00 0.00 1.92 0.00 -0.75 -4.78 105.19 103.08 3ksc n GLY 28 Ca 0.11 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3ksc n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ksc n GLY 29 N 0.68 -0.55 2.93 -0.02 0.00 -0.70 -1.01 105.19 106.51 3ksc n GLY 29 Ca 0.22 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 3ksc n GLY 29 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ksc s LEU 30 N 0.00 1.77 -0.16 0.99 2.96 -0.59 -1.31 118.68 122.34 3ksc s LEU 30 Ca 0.00 0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.04 3ksc s LEU 30 Cb 0.00 0.19 0.02 0.00 0.50 0.00 0.00 46.19 46.89 3ksc s LEU 30 CO 0.00 -0.02 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.17 3ksc s ILE 31 N 0.05 2.03 -0.13 6.68 1.01 -0.78 -0.74 121.20 129.32 3ksc s ILE 31 Ca -0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.69 3ksc s ILE 31 Cb -0.01 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 3ksc s ILE 31 CO -0.00 0.54 -0.08 -1.61 0.00 0.00 0.00 174.94 173.79 3ksc s GLU 32 N 1.09 3.41 -0.10 2.79 2.02 0.42 -0.53 118.70 127.80 3ksc s GLU 32 Ca -0.00 -0.59 0.03 0.00 0.02 0.00 0.00 54.97 54.43 3ksc s GLU 32 Cb -0.14 -2.75 -0.01 0.00 0.10 0.00 0.00 34.13 31.34 3ksc s GLU 32 CO -0.08 0.30 -0.21 0.95 0.02 0.00 0.00 175.26 176.24 3ksc s THR 33 N 0.17 2.31 0.64 3.63 -4.23 -0.40 -0.54 115.64 117.22 3ksc s THR 33 Ca -0.04 -0.94 -0.14 0.00 -1.18 0.00 0.00 61.69 59.39 3ksc s THR 33 Cb -0.14 -1.90 -0.02 0.00 1.34 0.00 0.00 72.50 71.78 3ksc s THR 33 CO 0.04 0.55 1.06 0.26 -0.54 0.00 0.00 174.62 175.99 3ksc s TRP 34 N 0.24 2.98 -0.44 3.99 0.51 -0.55 -1.99 118.94 123.68 3ksc s TRP 34 Ca -0.14 1.49 -0.26 0.00 -2.12 0.00 0.00 56.10 55.07 3ksc s TRP 34 Cb -0.17 -2.98 0.02 0.00 -0.81 0.00 0.00 33.47 29.53 3ksc s TRP 34 CO 0.07 -1.22 0.93 1.21 -0.51 0.00 0.00 176.95 177.44 3ksc s ASN 35 N -3.09 6.55 0.46 2.95 3.84 -1.26 -4.63 114.94 119.76 3ksc s ASN 35 Ca 0.62 0.26 0.31 0.00 0.21 0.00 0.00 52.86 54.26 3ksc s ASN 35 Cb -0.16 -2.46 1.46 0.00 -0.55 0.00 0.00 41.25 39.55 3ksc s ASN 35 CO 0.43 -1.01 1.94 -0.65 -2.79 0.00 0.00 177.10 175.02 3ksc h PRO 36 N 8.93 0.00 0.00 0.43 0.11 -1.93 -2.43 132.00 137.10 3ksc h PRO 36 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3ksc h PRO 36 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3ksc h PRO 36 CO 1.02 0.00 -0.09 -0.91 -0.21 0.00 0.00 178.00 177.81 3ksc h ASN 37 N 0.00 0.00 -3.58 -2.05 -0.26 -1.93 -3.33 115.58 104.43 3ksc h ASN 37 Ca 0.00 -0.02 -0.56 0.00 -0.56 0.00 0.00 56.30 55.16 3ksc h ASN 37 Cb 0.27 0.00 0.11 0.00 -1.06 0.00 0.00 38.32 37.64 3ksc h ASN 37 CO 0.00 0.01 0.62 -3.20 -1.06 0.00 0.00 177.43 173.80 3ksc n ASN 38 N -2.42 3.21 -0.25 5.81 2.85 -0.92 -4.81 115.26 118.73 3ksc n ASN 38 Ca 0.05 1.21 0.03 0.00 -0.11 0.00 0.00 54.58 55.76 3ksc n ASN 38 Cb 0.45 -1.54 0.25 0.00 1.24 0.00 0.00 39.78 40.18 3ksc n ASN 38 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 3ksc h LYS 39 N 2.71 0.97 -0.90 1.20 3.64 -1.90 -0.72 116.57 121.56 3ksc h LYS 39 Ca -0.48 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 58.87 3ksc h LYS 39 Cb 1.27 -0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 32.82 3ksc h LYS 39 CO 0.63 0.64 0.59 1.96 -2.27 0.00 0.00 179.45 181.00 3ksc h GLN 40 N 1.00 1.11 0.07 1.90 4.20 -1.90 0.33 115.11 121.82 3ksc h GLN 40 Ca 0.33 -0.07 -0.26 0.00 0.06 0.00 0.00 58.65 58.72 3ksc h GLN 40 Cb 0.07 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 3ksc h GLN 40 CO -0.10 0.74 -1.25 0.74 -0.67 0.00 0.00 178.83 178.28 3ksc h PHE 41 N 1.14 0.25 -0.22 2.96 0.04 -1.74 -2.75 116.94 116.63 3ksc h PHE 41 Ca 0.36 -0.18 -0.00 0.00 2.80 0.00 0.00 57.97 60.94 3ksc h PHE 41 Cb -0.01 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 3ksc h PHE 41 CO -0.01 1.17 0.13 0.00 -0.60 0.00 0.00 178.31 179.00 3ksc h ARG 42 N 0.04 0.29 -0.53 1.51 3.08 -0.72 0.17 114.38 118.22 3ksc h ARG 42 Ca -0.12 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 59.95 3ksc h ARG 42 Cb 1.91 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.85 3ksc h ARG 42 CO 0.16 0.22 0.28 0.00 -1.07 0.00 0.00 179.97 179.55 3ksc h ALA 44 N 1.28 1.37 -0.26 0.00 0.00 -1.22 -3.47 119.26 116.96 3ksc h ALA 44 Ca 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ksc h ALA 44 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3ksc h ALA 44 CO -0.15 0.44 0.00 0.41 0.00 0.00 0.00 179.25 179.95 3ksc n GLY 45 N -0.60 0.58 3.23 0.00 0.00 0.56 -4.86 105.19 104.12 3ksc n GLY 45 Ca -0.01 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 3ksc n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ksc s VAL 46 N -2.26 0.02 0.01 1.61 -7.23 -0.96 -0.80 120.40 110.78 3ksc s VAL 46 Ca 0.00 -1.92 0.05 0.00 -1.81 0.00 0.00 61.98 58.30 3ksc s VAL 46 Cb 0.00 -2.39 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 3ksc s VAL 46 CO 0.00 -0.07 -0.14 0.00 -0.31 0.00 0.00 175.10 174.58 3ksc s ALA 47 N -4.13 1.17 0.02 1.32 0.00 -0.63 -4.59 121.76 114.93 3ksc s ALA 47 Ca 0.35 -0.71 0.07 0.00 0.00 0.00 0.00 51.96 51.66 3ksc s ALA 47 Cb 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 3ksc s ALA 47 CO 0.10 0.25 -0.19 -1.17 0.00 0.00 0.00 175.76 174.76 3ksc s LEU 48 N -0.73 2.56 0.14 0.00 0.20 -1.26 -1.09 118.68 118.49 3ksc s LEU 48 Ca 0.04 -0.40 -0.20 0.00 0.69 0.00 0.00 54.13 54.25 3ksc s LEU 48 Cb -0.07 -1.50 0.06 0.00 -0.43 0.00 0.00 46.19 44.25 3ksc s LEU 48 CO 0.00 0.28 0.52 -0.94 -0.29 0.00 0.00 176.35 175.92 3ksc s SER 49 N -1.24 -0.43 -0.03 3.68 1.04 -0.91 -1.49 113.70 114.33 3ksc s SER 49 Ca 0.14 -0.13 -0.00 0.00 0.48 0.00 0.00 55.95 56.43 3ksc s SER 49 Cb -0.10 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.59 3ksc s SER 49 CO 0.04 -0.92 0.04 -0.60 0.98 0.00 0.00 173.24 172.78 3ksc s ARG 50 N -3.76 -0.03 -0.13 4.02 3.52 0.30 -0.41 118.95 122.46 3ksc s ARG 50 Ca 0.02 0.23 0.02 0.00 -0.13 0.00 0.00 55.73 55.87 3ksc s ARG 50 Cb 0.00 -0.27 -0.00 0.00 -1.56 0.00 0.00 34.95 33.12 3ksc s ARG 50 CO -0.12 -0.19 -0.19 0.00 -0.81 0.00 0.00 175.30 173.99 3ksc s ALA 51 N 1.21 2.36 -0.16 6.12 0.00 0.78 -0.43 121.76 131.64 3ksc s ALA 51 Ca -0.07 -1.00 -0.05 0.00 0.00 0.00 0.00 51.96 50.83 3ksc s ALA 51 Cb -0.13 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 3ksc s ALA 51 CO -0.03 0.13 0.00 0.99 0.00 0.00 0.00 175.76 176.85 3ksc s THR 52 N 0.57 4.28 -0.22 0.00 2.01 0.08 -0.44 115.64 121.91 3ksc s THR 52 Ca -0.11 -0.22 -0.04 0.00 0.31 0.00 0.00 61.69 61.63 3ksc s THR 52 Cb -0.16 -2.89 -0.00 0.00 0.01 0.00 0.00 72.50 69.45 3ksc s THR 52 CO 0.04 0.49 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.65 3ksc s LEU 53 N 0.30 2.90 1.21 4.42 1.43 0.49 -1.54 118.68 127.88 3ksc s LEU 53 Ca -0.01 -0.44 -0.19 0.00 -1.03 0.00 0.00 54.13 52.46 3ksc s LEU 53 Cb -0.13 -1.73 0.29 0.00 0.03 0.00 0.00 46.19 44.65 3ksc s LEU 53 CO 0.02 -0.03 1.11 -1.10 0.23 0.00 0.00 176.35 176.58 3ksc s GLN 54 N 1.46 -1.25 0.38 1.70 -1.52 -0.18 -0.73 119.66 119.53 3ksc s GLN 54 Ca 0.05 -0.09 -0.28 0.00 -1.95 0.00 0.00 55.36 53.09 3ksc s GLN 54 Cb -0.14 -1.60 -0.10 0.00 -0.22 0.00 0.00 33.01 30.95 3ksc s GLN 54 CO -0.04 -3.72 1.44 0.50 -0.25 0.00 0.00 175.29 173.22 3ksc s ARG 55 N -5.43 4.06 -1.42 2.91 3.52 -1.26 -2.00 118.95 119.33 3ksc s ARG 55 Ca 0.71 2.47 -0.07 0.00 -0.13 0.00 0.00 55.73 58.71 3ksc s ARG 55 Cb -0.09 -2.92 0.04 0.00 -1.56 0.00 0.00 34.95 30.42 3ksc s ARG 55 CO 0.56 -0.53 0.56 0.09 -0.81 0.00 0.00 175.30 175.17 3ksc n ASN 56 N 0.37 -4.92 -4.79 -2.12 5.03 0.17 -4.83 115.26 104.17 3ksc n ASN 56 Ca 0.02 -0.34 -0.36 0.00 0.87 0.00 0.00 54.58 54.76 3ksc n ASN 56 Cb 0.40 -4.01 -0.07 0.00 -1.02 0.00 0.00 39.78 35.08 3ksc n ASN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ksc s ALA 57 N -3.06 3.66 -0.21 5.41 0.00 -0.85 -1.08 121.76 125.64 3ksc s ALA 57 Ca 0.36 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.59 3ksc s ALA 57 Cb -0.18 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.08 3ksc s ALA 57 CO 0.44 0.53 -0.07 -1.17 0.00 0.00 0.00 175.76 175.49 3ksc s LEU 58 N -0.73 2.80 -0.72 0.00 0.20 0.12 -1.36 118.68 118.98 3ksc s LEU 58 Ca 0.13 -0.41 -0.24 0.00 0.69 0.00 0.00 54.13 54.30 3ksc s LEU 58 Cb -0.12 -1.70 0.06 0.00 -0.43 0.00 0.00 46.19 44.00 3ksc s LEU 58 CO 0.03 0.00 1.10 -0.60 -0.29 0.00 0.00 176.35 176.59 3ksc s ARG 59 N 1.33 3.19 0.45 1.98 6.06 0.07 -0.28 118.95 131.75 3ksc s ARG 59 Ca 0.04 -0.72 -0.25 0.00 -2.50 0.00 0.00 55.73 52.30 3ksc s ARG 59 Cb -0.14 -4.32 -0.08 0.00 0.06 0.00 0.00 34.95 30.47 3ksc s ARG 59 CO -0.04 -1.94 1.42 1.03 -2.50 0.00 0.00 175.30 173.27 3ksc s ARG 60 N 4.57 3.70 0.13 5.12 0.52 -0.86 -2.79 118.95 129.35 3ksc s ARG 60 Ca 0.28 2.41 -0.35 0.00 -0.52 0.00 0.00 55.73 57.56 3ksc s ARG 60 Cb -0.12 -2.66 -0.16 0.00 0.52 0.00 0.00 34.95 32.52 3ksc s ARG 60 CO 0.09 -0.80 1.26 -2.30 0.02 0.00 0.00 175.30 173.57 3ksc n PRO 61 N -0.17 1.18 -3.94 3.54 -0.02 -1.26 -4.84 135.00 129.49 3ksc n PRO 61 Ca 0.05 0.42 -0.09 0.00 -2.02 0.00 0.00 63.50 61.86 3ksc n PRO 61 Cb 0.42 -2.00 -0.07 0.00 -0.02 0.00 0.00 33.50 31.83 3ksc n PRO 61 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3ksc s TYR 62 N 0.16 0.35 0.16 6.00 1.13 -0.88 -2.86 117.35 121.41 3ksc s TYR 62 Ca 0.79 -0.72 0.01 0.00 -1.41 0.00 0.00 57.07 55.73 3ksc s TYR 62 Cb -0.90 -0.05 -0.04 0.00 -1.10 0.00 0.00 41.96 39.87 3ksc s TYR 62 CO 0.49 -0.69 0.01 1.52 -2.51 0.00 0.00 175.55 174.37 3ksc s TYR 63 N -3.95 1.10 0.03 -3.49 -0.85 -0.20 -1.23 117.35 108.76 3ksc s TYR 63 Ca 0.15 -1.06 0.02 0.00 -0.52 0.00 0.00 57.07 55.66 3ksc s TYR 63 Cb 0.03 -0.63 -0.02 0.00 0.38 0.00 0.00 41.96 41.72 3ksc s TYR 63 CO -0.02 -0.28 -0.07 0.45 -1.52 0.00 0.00 175.55 174.11 3ksc s SER 64 N -3.13 0.83 0.00 -0.18 0.15 -1.26 -0.61 113.70 109.49 3ksc s SER 64 Ca 0.23 -0.44 0.21 0.00 0.70 0.00 0.00 55.95 56.65 3ksc s SER 64 Cb 0.06 0.01 1.28 0.00 -1.71 0.00 0.00 66.02 65.66 3ksc s SER 64 CO 0.03 -0.14 1.73 -0.46 1.20 0.00 0.00 173.24 175.60 3ksc n ASN 65 N 1.81 0.00 -4.15 5.45 6.94 -1.25 -0.65 115.26 123.41 3ksc n ASN 65 Ca -0.20 -1.02 -0.10 0.00 -0.02 0.00 0.00 54.58 53.23 3ksc n ASN 65 Cb 0.55 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.87 3ksc n ASN 65 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ksc s ALA 66 N -2.00 0.87 0.60 -2.53 0.00 -1.26 -3.93 121.76 113.51 3ksc s ALA 66 Ca 0.32 -1.29 -0.17 0.00 0.00 0.00 0.00 51.96 50.83 3ksc s ALA 66 Cb 0.15 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 3ksc s ALA 66 CO 0.25 -0.24 1.09 -1.25 0.00 0.00 0.00 175.76 175.61 3ksc s PRO 67 N -3.69 3.15 -0.01 0.00 0.04 -1.26 -4.56 135.00 128.66 3ksc s PRO 67 Ca 0.10 1.39 0.05 0.00 0.04 0.00 0.00 61.00 62.58 3ksc s PRO 67 Cb 0.05 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 3ksc s PRO 67 CO -0.05 -0.97 -0.16 -0.65 0.04 0.00 0.00 177.00 175.20 3ksc s GLN 68 N -3.82 1.33 -0.17 4.56 -0.21 -0.73 -0.74 119.66 119.89 3ksc s GLN 68 Ca 0.67 -0.58 0.00 0.00 0.02 0.00 0.00 55.36 55.48 3ksc s GLN 68 Cb -0.20 -1.28 0.00 0.00 1.00 0.00 0.00 33.01 32.54 3ksc s GLN 68 CO 0.35 0.34 -0.16 -2.00 -2.12 0.00 0.00 175.29 171.70 3ksc s GLU 69 N -0.36 3.15 -0.11 2.91 2.12 -0.76 -0.79 118.70 124.86 3ksc s GLU 69 Ca 0.06 -0.77 0.02 0.00 0.36 0.00 0.00 54.97 54.64 3ksc s GLU 69 Cb -0.06 -2.64 -0.01 0.00 0.26 0.00 0.00 34.13 31.68 3ksc s GLU 69 CO -0.01 -0.07 -0.18 0.42 -0.54 0.00 0.00 175.26 174.89 3ksc s ILE 70 N 1.03 2.66 -0.15 -3.70 1.01 0.67 -1.27 121.20 121.45 3ksc s ILE 70 Ca -0.01 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 3ksc s ILE 70 Cb -0.15 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 3ksc s ILE 70 CO -0.04 0.54 -0.07 0.12 0.00 0.00 0.00 174.94 175.49 3ksc s PHE 71 N 0.29 2.95 -0.90 3.97 5.36 0.32 0.55 117.98 130.52 3ksc s PHE 71 Ca -0.13 -0.43 -0.21 0.00 -0.96 0.00 0.00 56.93 55.20 3ksc s PHE 71 Cb -0.16 -1.92 0.09 0.00 -0.34 0.00 0.00 43.02 40.68 3ksc s PHE 71 CO 0.07 -0.11 1.20 0.42 -1.46 0.00 0.00 175.22 175.34 3ksc s ILE 72 N 0.38 4.35 0.17 3.12 -1.09 0.01 -1.26 121.20 126.87 3ksc s ILE 72 Ca -0.06 -0.99 -0.12 0.00 -2.23 0.00 0.00 60.65 57.24 3ksc s ILE 72 Cb -0.15 -4.85 0.06 0.00 -1.58 0.00 0.00 42.46 35.94 3ksc s ILE 72 CO 0.04 -1.65 1.71 -0.61 -1.23 0.00 0.00 174.94 173.20 3ksc h GLN 73 N 9.33 0.87 -2.39 2.79 4.15 -1.30 0.73 115.11 129.28 3ksc h GLN 73 Ca 0.06 -0.18 -0.08 0.00 0.77 0.00 0.00 58.65 59.22 3ksc h GLN 73 Cb 1.03 -0.13 -0.21 0.00 0.21 0.00 0.00 27.48 28.38 3ksc h GLN 73 CO 1.23 0.77 -0.03 -1.14 -1.93 0.00 0.00 178.83 177.73 3ksc s GLN 74 N -5.47 0.76 0.00 1.69 0.74 -0.91 -4.60 119.66 111.88 3ksc s GLN 74 Ca -0.13 0.49 0.00 0.00 0.05 0.00 0.00 55.36 55.77 3ksc s GLN 74 Cb 0.12 0.36 0.00 0.00 1.10 0.00 0.00 33.01 34.60 3ksc s GLN 74 CO 0.80 -0.16 0.00 0.41 -0.55 0.00 0.00 175.29 175.79 3ksc n GLY 75 N 2.05 0.79 3.09 2.59 0.00 -1.26 0.58 105.19 113.03 3ksc n GLY 75 Ca -0.16 -2.24 -0.11 0.00 0.00 0.00 0.00 46.02 43.52 3ksc n GLY 75 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ksc s ASN 76 N 0.00 0.08 0.00 1.61 -0.87 -1.26 -2.11 114.94 112.38 3ksc s ASN 76 Ca 0.00 -0.30 0.00 0.00 -1.57 0.00 0.00 52.86 50.99 3ksc s ASN 76 Cb 0.00 0.19 0.00 0.00 -0.02 0.00 0.00 41.25 41.42 3ksc s ASN 76 CO 0.00 -0.37 0.00 0.61 -2.57 0.00 0.00 177.10 174.77 3ksc n GLY 77 N 1.40 -0.66 3.27 0.66 0.00 -0.79 -4.30 105.19 104.76 3ksc n GLY 77 Ca -0.23 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.11 3ksc n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ksc s TYR 78 N -3.39 1.63 0.04 1.61 2.02 -0.14 -0.90 117.35 118.21 3ksc s TYR 78 Ca 0.00 -0.45 -0.08 0.00 -0.37 0.00 0.00 57.07 56.17 3ksc s TYR 78 Cb 0.00 -0.88 -0.00 0.00 -0.40 0.00 0.00 41.96 40.68 3ksc s TYR 78 CO 0.00 0.19 0.15 -0.59 -1.57 0.00 0.00 175.55 173.73 3ksc s PHE 79 N -1.48 0.12 0.03 2.71 -0.71 -0.92 0.15 117.98 117.87 3ksc s PHE 79 Ca 0.07 -0.38 -0.01 0.00 -1.04 0.00 0.00 56.93 55.57 3ksc s PHE 79 Cb -0.09 -0.08 -0.02 0.00 -1.21 0.00 0.00 43.02 41.62 3ksc s PHE 79 CO 0.04 -0.40 -0.01 0.20 -1.34 0.00 0.00 175.22 173.71 3ksc s GLY 80 N -2.09 0.27 0.10 1.99 0.00 -0.64 -0.95 107.32 106.01 3ksc s GLY 80 Ca -0.05 -0.68 0.06 0.00 0.00 0.00 0.00 44.72 44.05 3ksc s GLY 80 CO -0.04 -0.77 -0.15 1.06 0.00 0.00 0.00 173.10 173.20 3ksc s MET 81 N -2.00 0.99 -0.28 2.90 -1.94 -1.26 -1.79 119.30 115.92 3ksc s MET 81 Ca -0.11 -1.15 -0.05 0.00 -1.71 0.00 0.00 55.69 52.68 3ksc s MET 81 Cb -0.06 -0.97 0.02 0.00 2.01 0.00 0.00 34.83 35.83 3ksc s MET 81 CO -0.03 0.20 0.03 0.08 -0.01 0.00 0.00 175.02 175.30 3ksc s VAL 82 N -1.71 3.55 -0.35 -6.03 1.01 -0.63 -4.70 120.40 111.53 3ksc s VAL 82 Ca 0.05 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 3ksc s VAL 82 Cb -0.07 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.48 3ksc s VAL 82 CO 0.03 0.09 0.17 -0.36 0.00 0.00 0.00 175.10 175.03 3ksc s PHE 83 N 1.42 3.23 -0.23 5.22 0.08 -1.26 -3.80 117.98 122.65 3ksc s PHE 83 Ca 0.01 -1.01 -0.42 0.00 0.12 0.00 0.00 56.93 55.63 3ksc s PHE 83 Cb -0.17 -2.39 -0.18 0.00 -0.57 0.00 0.00 43.02 39.71 3ksc s PHE 83 CO 0.00 -0.64 1.51 -2.30 -0.10 0.00 0.00 175.22 173.69 3ksc n PRO 84 N 4.95 0.60 -0.57 0.24 -0.02 -1.26 -2.43 135.00 136.51 3ksc n PRO 84 Ca -0.12 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3ksc n PRO 84 Cb 0.46 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 3ksc n PRO 84 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ksc n GLY 85 N 3.35 0.94 3.69 -1.23 0.00 -1.26 -5.03 105.19 105.65 3ksc n GLY 85 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 3ksc n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ksc n PRO 87 N 4.04 -0.87 0.00 0.00 -0.02 -1.26 -4.93 135.00 131.96 3ksc n PRO 87 Ca -0.13 -0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.10 3ksc n PRO 87 Cb 0.52 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 3ksc n PRO 87 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3ksc n GLU 88 N 0.44 1.42 0.00 -0.52 1.02 -1.26 -4.76 120.64 116.98 3ksc n GLU 88 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3ksc n GLU 88 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 3ksc n GLU 88 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3ksc n ASP 106 N 0.00 0.00 -4.73 1.62 5.75 -1.26 -4.60 116.55 113.34 3ksc n ASP 106 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 54.79 54.43 3ksc n ASP 106 Cb 0.00 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.00 3ksc n ASP 106 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3ksc s ARG 107 N 0.00 3.38 0.16 0.11 0.52 -1.26 -5.10 118.95 116.76 3ksc s ARG 107 Ca 0.00 -0.31 -0.24 0.00 -0.52 0.00 0.00 55.73 54.66 3ksc s ARG 107 Cb 0.00 -3.02 0.06 0.00 0.52 0.00 0.00 34.95 32.51 3ksc s ARG 107 CO 0.00 0.61 0.70 -3.38 0.02 0.00 0.00 175.30 173.25 3ksc s HIS 108 N -0.59 -0.39 0.61 -0.53 -3.43 -1.26 -5.17 115.29 104.53 3ksc s HIS 108 Ca 0.11 0.13 -0.10 0.00 -0.80 0.00 0.00 55.06 54.40 3ksc s HIS 108 Cb -0.12 0.60 -0.03 0.00 -1.43 0.00 0.00 32.58 31.61 3ksc s HIS 108 CO 0.02 -0.89 0.99 -0.65 -2.00 0.00 0.00 174.74 172.21 3ksc s GLN 109 N -3.65 3.39 -0.24 -0.38 -0.21 -1.26 -4.56 119.66 112.75 3ksc s GLN 109 Ca 0.05 0.53 -0.40 0.00 0.02 0.00 0.00 55.36 55.56 3ksc s GLN 109 Cb -0.02 -2.14 -0.16 0.00 1.00 0.00 0.00 33.01 31.69 3ksc s GLN 109 CO -0.06 -0.60 1.71 1.17 -2.12 0.00 0.00 175.29 175.38 3ksc n LYS 110 N -2.70 1.15 -3.56 2.91 4.81 -1.26 -4.89 118.16 114.62 3ksc n LYS 110 Ca 0.05 0.42 -0.36 0.00 -0.87 0.00 0.00 58.31 57.55 3ksc n LYS 110 Cb 0.55 -2.10 -0.07 0.00 0.02 0.00 0.00 35.03 33.43 3ksc n LYS 110 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3ksc s VAL 111 N 3.24 5.32 0.48 3.15 0.11 -1.26 -4.21 120.40 127.23 3ksc s VAL 111 Ca 0.97 0.48 0.06 0.00 -2.93 0.00 0.00 61.98 60.56 3ksc s VAL 111 Cb -1.06 -3.61 -0.00 0.00 -1.53 0.00 0.00 36.38 30.18 3ksc s VAL 111 CO 0.64 0.38 0.32 0.20 -3.33 0.00 0.00 175.10 173.31 3ksc s ASN 112 N 0.57 4.64 0.13 3.54 -0.87 -0.13 -4.97 114.94 117.86 3ksc s ASN 112 Ca 0.15 -1.11 0.04 0.00 -1.57 0.00 0.00 52.86 50.37 3ksc s ASN 112 Cb -0.13 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.25 41.03 3ksc s ASN 112 CO 0.03 -0.84 0.10 -0.13 -2.57 0.00 0.00 177.10 173.69 3ksc s ARG 113 N -4.13 2.85 -0.03 -0.60 0.52 -1.26 -2.18 118.95 114.13 3ksc s ARG 113 Ca 0.38 -0.81 0.02 0.00 -0.52 0.00 0.00 55.73 54.79 3ksc s ARG 113 Cb -0.01 -2.66 0.01 0.00 0.52 0.00 0.00 34.95 32.81 3ksc s ARG 113 CO 0.22 0.52 -0.06 -0.59 0.02 0.00 0.00 175.30 175.40 3ksc s PHE 114 N -1.60 0.73 0.30 -0.53 -0.12 -0.08 -4.89 117.98 111.79 3ksc s PHE 114 Ca 0.30 -0.17 0.07 0.00 -0.05 0.00 0.00 56.93 57.08 3ksc s PHE 114 Cb -0.11 -0.56 -0.03 0.00 -0.63 0.00 0.00 43.02 41.69 3ksc s PHE 114 CO 0.22 -0.10 0.23 1.03 -0.05 0.00 0.00 175.22 176.55 3ksc s ARG 115 N 0.36 2.74 0.50 1.99 0.52 -1.26 -1.89 118.95 121.92 3ksc s ARG 115 Ca -0.05 -1.23 -0.22 0.00 -0.52 0.00 0.00 55.73 53.71 3ksc s ARG 115 Cb -0.09 -2.46 -0.07 0.00 0.52 0.00 0.00 34.95 32.84 3ksc s ARG 115 CO 0.00 0.23 1.15 -1.91 0.02 0.00 0.00 175.30 174.79 3ksc n GLU 116 N -1.25 1.45 -1.00 3.54 2.13 -0.90 -2.26 120.64 122.35 3ksc n GLU 116 Ca -0.04 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.31 3ksc n GLU 116 Cb 0.59 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 30.01 3ksc n GLU 116 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ksc n GLY 117 N 1.02 0.87 3.80 8.31 0.00 0.25 -4.79 105.19 114.65 3ksc n GLY 117 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3ksc n GLY 117 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ksc s ASP 118 N -2.75 6.56 -0.17 1.61 1.01 -0.96 -1.45 116.67 120.52 3ksc s ASP 118 Ca 0.00 1.92 -0.04 0.00 0.71 0.00 0.00 52.55 55.14 3ksc s ASP 118 Cb 0.00 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 3ksc s ASP 118 CO 0.00 -0.63 -0.03 -0.63 0.21 0.00 0.00 175.17 174.09 3ksc s ILE 119 N -1.92 3.84 -0.11 0.77 -1.09 0.66 -0.81 121.20 122.54 3ksc s ILE 119 Ca 0.64 -0.37 -0.01 0.00 -2.23 0.00 0.00 60.65 58.68 3ksc s ILE 119 Cb -0.17 -2.70 -0.03 0.00 -1.58 0.00 0.00 42.46 37.98 3ksc s ILE 119 CO 0.21 0.47 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.69 3ksc s ILE 120 N 0.66 3.73 -0.28 2.92 1.01 0.19 -1.64 121.20 127.79 3ksc s ILE 120 Ca -0.02 -0.44 -0.08 0.00 0.00 0.00 0.00 60.65 60.11 3ksc s ILE 120 Cb -0.14 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 3ksc s ILE 120 CO 0.02 0.54 0.11 0.00 0.00 0.00 0.00 174.94 175.61 3ksc s ALA 121 N -0.15 3.20 -0.54 9.38 0.00 -0.47 -0.24 121.76 132.93 3ksc s ALA 121 Ca 0.02 -1.28 -0.04 0.00 0.00 0.00 0.00 51.96 50.66 3ksc s ALA 121 Cb -0.13 -2.21 0.14 0.00 0.00 0.00 0.00 23.12 20.92 3ksc s ALA 121 CO 0.03 -0.72 0.37 0.08 0.00 0.00 0.00 175.76 175.52 3ksc s VAL 122 N 1.60 3.75 0.95 0.00 1.01 0.03 -4.92 120.40 122.81 3ksc s VAL 122 Ca 0.05 -2.47 -0.12 0.00 0.00 0.00 0.00 61.98 59.44 3ksc s VAL 122 Cb -0.16 -3.48 0.06 0.00 0.00 0.00 0.00 36.38 32.81 3ksc s VAL 122 CO 0.05 -0.81 0.56 -2.65 0.00 0.00 0.00 175.10 172.24 3ksc n PRO 123 N 4.08 -0.37 -1.75 2.72 -0.02 -1.26 -1.77 135.00 136.62 3ksc n PRO 123 Ca 0.03 -0.06 -0.42 0.00 -2.02 0.00 0.00 63.50 61.02 3ksc n PRO 123 Cb 0.40 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 3ksc n PRO 123 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ksc s THR 124 N -2.44 2.08 0.00 3.45 2.01 -1.26 -2.48 115.64 116.99 3ksc s THR 124 Ca 0.59 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.65 3ksc s THR 124 Cb -0.21 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.26 3ksc s THR 124 CO 0.65 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.20 3ksc n GLY 125 N 3.62 1.65 3.73 4.40 0.00 0.17 -5.01 105.19 113.75 3ksc n GLY 125 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3ksc n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ksc s ILE 126 N -3.50 4.57 0.25 -0.61 -1.09 -1.04 -4.75 121.20 115.03 3ksc s ILE 126 Ca 0.00 2.01 -0.30 0.00 -2.23 0.00 0.00 60.65 60.14 3ksc s ILE 126 Cb 0.00 -4.30 -0.09 0.00 -1.58 0.00 0.00 42.46 36.49 3ksc s ILE 126 CO 0.00 0.31 1.11 -0.69 -1.23 0.00 0.00 174.94 174.44 3ksc s VAL 127 N 0.09 3.54 -0.04 2.92 1.01 -1.25 -4.45 120.40 122.22 3ksc s VAL 127 Ca 0.46 1.48 -0.03 0.00 0.00 0.00 0.00 61.98 63.89 3ksc s VAL 127 Cb -0.23 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.22 3ksc s VAL 127 CO 0.29 0.33 0.10 0.12 0.00 0.00 0.00 175.10 175.93 3ksc s PHE 128 N -0.90 -0.10 0.02 5.22 5.36 -0.37 -1.60 117.98 125.61 3ksc s PHE 128 Ca 0.46 0.26 -0.02 0.00 -0.96 0.00 0.00 56.93 56.68 3ksc s PHE 128 Cb -0.32 0.03 -0.02 0.00 -0.34 0.00 0.00 43.02 42.37 3ksc s PHE 128 CO 0.40 -0.06 0.01 1.67 -1.46 0.00 0.00 175.22 175.78 3ksc s TRP 129 N 0.11 0.24 0.09 10.12 1.48 -0.74 -2.07 118.94 128.17 3ksc s TRP 129 Ca -0.01 -0.51 0.07 0.00 -1.06 0.00 0.00 56.10 54.60 3ksc s TRP 129 Cb -0.01 -0.18 -0.03 0.00 -1.16 0.00 0.00 33.47 32.09 3ksc s TRP 129 CO -0.00 -0.24 -0.19 -1.64 -4.06 0.00 0.00 176.95 170.82 3ksc s MET 130 N -1.76 1.05 -0.01 3.25 -1.94 -1.12 -1.61 119.30 117.16 3ksc s MET 130 Ca -0.13 -1.07 0.01 0.00 -1.71 0.00 0.00 55.69 52.79 3ksc s MET 130 Cb -0.07 -1.22 0.00 0.00 2.01 0.00 0.00 34.83 35.55 3ksc s MET 130 CO -0.02 0.28 -0.02 -0.47 -0.01 0.00 0.00 175.02 174.79 3ksc s TYR 131 N -1.15 0.21 -0.34 -0.03 5.04 0.39 -0.75 117.35 120.71 3ksc s TYR 131 Ca 0.04 -0.02 -0.07 0.00 -2.44 0.00 0.00 57.07 54.58 3ksc s TYR 131 Cb -0.10 -0.18 0.04 0.00 0.35 0.00 0.00 41.96 42.07 3ksc s TYR 131 CO 0.03 -0.03 0.11 1.21 -1.34 0.00 0.00 175.55 175.54 3ksc s ASN 132 N 0.16 5.33 -0.05 4.32 2.47 -0.46 -0.97 114.94 125.74 3ksc s ASN 132 Ca -0.01 -1.12 0.08 0.00 0.42 0.00 0.00 52.86 52.23 3ksc s ASN 132 Cb -0.03 -1.88 -0.24 0.00 -1.45 0.00 0.00 41.25 37.65 3ksc s ASN 132 CO -0.00 -0.33 0.65 -2.24 -3.72 0.00 0.00 177.10 171.45 3ksc h ASP 133 N 8.23 0.10 -2.75 -4.21 -0.00 -1.89 0.50 116.42 116.40 3ksc h ASP 133 Ca -0.24 -0.21 -0.46 0.00 -0.00 0.00 0.00 57.03 56.13 3ksc h ASP 133 Cb 1.08 -0.03 0.09 0.00 -0.00 0.00 0.00 39.33 40.47 3ksc h ASP 133 CO 0.60 1.19 0.15 -1.10 -0.00 0.00 0.00 179.24 180.08 3ksc s GLN 134 N -2.60 1.75 0.22 4.15 -0.21 -1.26 -4.35 119.66 117.36 3ksc s GLN 134 Ca -0.08 -0.82 0.15 0.00 0.02 0.00 0.00 55.36 54.64 3ksc s GLN 134 Cb 0.08 -2.26 0.01 0.00 1.00 0.00 0.00 33.01 31.84 3ksc s GLN 134 CO 0.82 -1.44 1.28 0.22 -2.12 0.00 0.00 175.29 174.05 3ksc h ASP 135 N -0.61 0.00 -3.06 5.90 3.58 -1.96 -3.39 116.42 116.88 3ksc h ASP 135 Ca -0.40 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.50 3ksc h ASP 135 Cb 1.28 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.30 3ksc h ASP 135 CO 0.45 0.51 0.72 -0.89 -2.88 0.00 0.00 179.24 177.16 3ksc s THR 136 N -2.96 4.24 0.18 2.25 2.01 -1.26 -4.54 115.64 115.56 3ksc s THR 136 Ca 0.02 1.56 -0.33 0.00 0.31 0.00 0.00 61.69 63.25 3ksc s THR 136 Cb 0.08 -4.00 -0.14 0.00 0.01 0.00 0.00 72.50 68.44 3ksc s THR 136 CO 0.76 -0.01 1.46 -2.65 -0.69 0.00 0.00 174.62 173.49 3ksc n PRO 137 N 5.32 1.94 -2.82 4.92 -0.02 -1.26 -4.67 135.00 138.40 3ksc n PRO 137 Ca 0.11 0.69 -0.41 0.00 -2.02 0.00 0.00 63.50 61.88 3ksc n PRO 137 Cb 0.46 -2.39 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 3ksc n PRO 137 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ksc s VAL 138 N 0.41 4.87 -0.22 -1.45 1.01 0.09 -4.20 120.40 120.92 3ksc s VAL 138 Ca 0.75 1.86 0.01 0.00 0.00 0.00 0.00 61.98 64.60 3ksc s VAL 138 Cb -0.71 -4.23 0.03 0.00 0.00 0.00 0.00 36.38 31.48 3ksc s VAL 138 CO 0.44 0.21 -0.13 -0.63 0.00 0.00 0.00 175.10 174.99 3ksc s ILE 139 N 0.78 2.33 -0.17 2.22 1.01 0.20 -0.38 121.20 127.19 3ksc s ILE 139 Ca 0.47 -1.16 0.01 0.00 0.00 0.00 0.00 60.65 59.96 3ksc s ILE 139 Cb -0.20 -2.15 0.02 0.00 0.01 0.00 0.00 42.46 40.14 3ksc s ILE 139 CO 0.25 0.28 -0.17 0.00 0.00 0.00 0.00 174.94 175.30 3ksc s ALA 140 N 1.25 2.11 -0.17 9.38 0.00 0.42 -0.82 121.76 133.92 3ksc s ALA 140 Ca -0.00 -1.09 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 3ksc s ALA 140 Cb -0.16 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 3ksc s ALA 140 CO -0.08 -0.40 0.07 0.54 0.00 0.00 0.00 175.76 175.89 3ksc s VAL 141 N 1.38 4.87 -0.02 0.00 0.11 -0.39 -0.15 120.40 126.20 3ksc s VAL 141 Ca 0.04 -0.01 0.07 0.00 -2.93 0.00 0.00 61.98 59.16 3ksc s VAL 141 Cb -0.13 -3.19 -0.02 0.00 -1.53 0.00 0.00 36.38 31.52 3ksc s VAL 141 CO -0.12 0.48 -0.22 -0.94 -3.33 0.00 0.00 175.10 170.97 3ksc s SER 142 N 0.20 2.64 -0.21 3.54 1.04 0.46 -0.52 113.70 120.85 3ksc s SER 142 Ca 0.05 -0.41 -0.03 0.00 0.48 0.00 0.00 55.95 56.04 3ksc s SER 142 Cb -0.12 -0.31 -0.00 0.00 0.10 0.00 0.00 66.02 65.69 3ksc s SER 142 CO 0.00 0.28 -0.08 -0.22 0.98 0.00 0.00 173.24 174.20 3ksc s LEU 143 N -0.52 2.74 -0.31 2.42 0.20 -0.39 -2.13 118.68 120.69 3ksc s LEU 143 Ca 0.08 -0.43 -0.14 0.00 0.69 0.00 0.00 54.13 54.33 3ksc s LEU 143 Cb -0.09 -1.68 -0.02 0.00 -0.43 0.00 0.00 46.19 43.97 3ksc s LEU 143 CO -0.01 -0.00 0.33 -0.89 -0.29 0.00 0.00 176.35 175.49 3ksc s THR 144 N 1.35 5.20 -1.29 3.68 2.01 -0.25 -1.83 115.64 124.52 3ksc s THR 144 Ca 0.04 0.17 -0.16 0.00 0.31 0.00 0.00 61.69 62.06 3ksc s THR 144 Cb -0.14 -3.73 0.11 0.00 0.01 0.00 0.00 72.50 68.74 3ksc s THR 144 CO -0.04 0.03 1.70 -0.67 -0.69 0.00 0.00 174.62 174.94 3ksc n ASP 145 N 5.29 4.94 0.08 3.53 2.03 0.09 -1.60 116.55 130.91 3ksc n ASP 145 Ca -0.10 -2.94 0.07 0.00 0.52 0.00 0.00 54.79 52.33 3ksc n ASP 145 Cb 0.50 -1.67 0.52 0.00 -0.72 0.00 0.00 41.12 39.75 3ksc n ASP 145 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3ksc h ILE 146 N 5.00 1.03 0.00 5.18 2.04 -1.61 -2.16 117.51 126.99 3ksc h ILE 146 Ca 0.42 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 66.16 3ksc h ILE 146 Cb 0.83 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3ksc h ILE 146 CO 1.44 0.06 0.00 -2.11 0.00 0.00 0.00 178.15 177.54 3ksc n ARG 147 N -4.49 0.72 -2.07 2.37 1.85 0.02 -4.80 116.66 110.26 3ksc n ARG 147 Ca 0.02 0.01 -0.41 0.00 -1.00 0.00 0.00 57.85 56.47 3ksc n ARG 147 Cb 0.12 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.01 3ksc n ARG 147 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3ksc s SER 148 N -2.17 6.71 0.00 2.89 0.15 -0.81 -4.87 113.70 115.60 3ksc s SER 148 Ca 0.37 2.71 0.17 0.00 0.70 0.00 0.00 55.95 59.91 3ksc s SER 148 Cb 0.19 -2.64 0.87 0.00 -1.71 0.00 0.00 66.02 62.72 3ksc s SER 148 CO 0.35 -0.60 1.53 -1.54 1.20 0.00 0.00 173.24 174.17 3ksc n SER 149 N 1.13 0.00 0.08 5.45 3.41 -1.26 -1.36 113.62 121.07 3ksc n SER 149 Ca 0.02 0.08 0.13 0.00 -0.26 0.00 0.00 58.87 58.84 3ksc n SER 149 Cb 0.41 -0.31 0.41 0.00 -0.26 0.00 0.00 64.21 64.47 3ksc n SER 149 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3ksc n ASN 150 N -1.31 0.66 -4.48 4.04 3.02 -1.26 -4.59 115.26 111.34 3ksc n ASN 150 Ca 0.08 0.50 -0.43 0.00 -0.03 0.00 0.00 54.58 54.69 3ksc n ASN 150 Cb 0.15 -0.62 -0.05 0.00 -0.61 0.00 0.00 39.78 38.65 3ksc n ASN 150 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3ksc s ASN 151 N -4.21 6.28 0.00 6.41 2.47 -0.46 -4.87 114.94 120.56 3ksc s ASN 151 Ca 0.11 -0.63 0.23 0.00 0.42 0.00 0.00 52.86 52.98 3ksc s ASN 151 Cb 0.14 -2.38 0.57 0.00 -1.45 0.00 0.00 41.25 38.13 3ksc s ASN 151 CO 0.60 -1.11 1.49 0.00 -3.72 0.00 0.00 177.10 174.36 3ksc n GLN 152 N 6.96 2.66 0.00 0.43 6.02 -1.26 -4.83 117.38 127.36 3ksc n GLN 152 Ca -0.02 -2.54 0.00 0.00 -0.01 0.00 0.00 57.00 54.43 3ksc n GLN 152 Cb 0.46 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 30.18 3ksc n GLN 152 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3ksc n LEU 153 N 1.59 0.00 0.00 1.08 4.77 -1.26 -5.14 117.00 118.04 3ksc n LEU 153 Ca 0.23 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3ksc n LEU 153 Cb 0.62 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 3ksc n LEU 153 CO 0.16 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.32 3ksc n ASP 154 N 0.00 0.95 -0.29 -1.43 5.68 -1.26 -5.02 116.55 115.18 3ksc n ASP 154 Ca 0.00 -0.31 0.10 0.00 -0.50 0.00 0.00 54.79 54.08 3ksc n ASP 154 Cb 0.00 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 40.45 3ksc n ASP 154 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ksc n GLN 155 N -0.17 1.38 -3.08 0.11 6.02 -1.26 -4.81 117.38 115.58 3ksc n GLN 155 Ca 0.00 -0.57 -0.40 0.00 -0.01 0.00 0.00 57.00 56.02 3ksc n GLN 155 Cb 0.00 -1.35 -0.05 0.00 1.02 0.00 0.00 30.24 29.86 3ksc n GLN 155 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3ksc s MET 156 N -1.90 4.35 0.34 -1.09 -1.94 -1.26 -5.00 119.30 112.81 3ksc s MET 156 Ca 0.31 0.78 -0.29 0.00 -1.71 0.00 0.00 55.69 54.78 3ksc s MET 156 Cb 0.15 -3.49 -0.11 0.00 2.01 0.00 0.00 34.83 33.40 3ksc s MET 156 CO 0.24 -0.04 1.40 -1.25 -0.01 0.00 0.00 175.02 175.36 3ksc s PRO 157 N 1.20 4.24 -0.01 2.03 0.04 -1.26 -5.03 135.00 136.21 3ksc s PRO 157 Ca 0.34 2.38 0.01 0.00 0.04 0.00 0.00 61.00 63.77 3ksc s PRO 157 Cb -0.17 -3.03 0.01 0.00 0.04 0.00 0.00 34.50 31.35 3ksc s PRO 157 CO 0.15 -0.36 -0.02 1.03 0.04 0.00 0.00 177.00 177.83 3ksc s ARG 158 N -1.70 0.32 -0.09 4.56 0.52 -1.26 -4.79 118.95 116.50 3ksc s ARG 158 Ca 0.52 -0.05 0.03 0.00 -0.52 0.00 0.00 55.73 55.71 3ksc s ARG 158 Cb -0.43 -0.38 0.01 0.00 0.52 0.00 0.00 34.95 34.67 3ksc s ARG 158 CO 0.56 -0.01 -0.20 1.03 0.02 0.00 0.00 175.30 176.70 3ksc s ARG 159 N 0.37 2.63 -0.27 3.54 0.52 -1.26 -3.85 118.95 120.62 3ksc s ARG 159 Ca -0.04 -0.73 -0.09 0.00 -0.52 0.00 0.00 55.73 54.35 3ksc s ARG 159 Cb -0.07 -2.04 -0.03 0.00 0.52 0.00 0.00 34.95 33.34 3ksc s ARG 159 CO -0.01 0.11 0.12 -0.06 0.02 0.00 0.00 175.30 175.49 3ksc s PHE 160 N 0.51 3.15 -0.16 -0.53 0.40 0.22 -4.83 117.98 116.73 3ksc s PHE 160 Ca -0.16 -0.32 -0.08 0.00 -0.60 0.00 0.00 56.93 55.77 3ksc s PHE 160 Cb -0.17 -2.31 -0.04 0.00 0.51 0.00 0.00 43.02 41.01 3ksc s PHE 160 CO 0.06 -0.33 0.12 0.71 0.70 0.00 0.00 175.22 176.48 3ksc s TYR 161 N 1.65 3.46 0.26 0.36 2.02 -1.26 -1.03 117.35 122.81 3ksc s TYR 161 Ca 0.06 0.38 0.03 0.00 -0.37 0.00 0.00 57.07 57.17 3ksc s TYR 161 Cb -0.16 -2.03 0.35 0.00 -0.40 0.00 0.00 41.96 39.72 3ksc s TYR 161 CO 0.06 0.48 1.66 -0.07 -1.57 0.00 0.00 175.55 176.12 3ksc h LEU 162 N 5.83 0.43 -8.61 -1.29 3.38 -1.88 -1.85 115.31 111.32 3ksc h LEU 162 Ca -0.47 -0.18 -0.27 0.00 0.09 0.00 0.00 57.88 57.05 3ksc h LEU 162 Cb 1.19 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.68 3ksc h LEU 162 CO 0.66 0.77 -0.53 0.00 0.09 0.00 0.00 178.44 179.43 3ksc s ALA 163 N -4.25 1.15 0.00 1.53 0.00 -1.26 -4.26 121.76 114.67 3ksc s ALA 163 Ca -0.06 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.21 3ksc s ALA 163 Cb 0.13 1.37 0.00 0.00 0.00 0.00 0.00 23.12 24.62 3ksc s ALA 163 CO 0.80 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 176.33 3ksc n GLY 164 N -0.36 -2.48 1.44 0.00 0.00 -1.26 -4.76 105.19 97.78 3ksc n GLY 164 Ca 0.03 -2.08 0.03 0.00 0.00 0.00 0.00 46.02 43.99 3ksc n GLY 164 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ksc n ASN 165 N 0.00 0.75 -4.96 1.61 5.15 -1.26 -4.10 115.26 112.45 3ksc n ASN 165 Ca 0.00 -2.00 -0.23 0.00 -0.60 0.00 0.00 54.58 51.75 3ksc n ASN 165 Cb 0.00 -0.23 -0.02 0.00 -0.53 0.00 0.00 39.78 39.00 3ksc n ASN 165 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 3ksc s HIS 166 N -0.02 3.46 0.63 1.20 -3.43 -1.26 -4.17 115.29 111.70 3ksc s HIS 166 Ca 0.30 0.04 -0.15 0.00 -0.80 0.00 0.00 55.06 54.45 3ksc s HIS 166 Cb 0.34 -1.61 -0.02 0.00 -1.43 0.00 0.00 32.58 29.86 3ksc s HIS 166 CO -0.15 0.46 1.07 -1.21 -2.00 0.00 0.00 174.74 172.91 3ksc s GLU 167 N -3.74 3.13 0.18 -0.38 2.02 -1.26 -4.69 118.70 113.94 3ksc s GLU 167 Ca 0.34 1.21 -0.24 0.00 0.02 0.00 0.00 54.97 56.29 3ksc s GLU 167 Cb -0.10 -2.01 -0.08 0.00 0.10 0.00 0.00 34.13 32.05 3ksc s GLU 167 CO 0.29 -0.97 0.77 -1.14 0.02 0.00 0.00 175.26 174.23 3ksc s GLN 168 N -4.24 4.52 0.58 1.61 -0.44 -1.26 -4.92 119.66 115.51 3ksc s GLN 168 Ca 0.63 1.12 0.29 0.00 -2.50 0.00 0.00 55.36 54.90 3ksc s GLN 168 Cb -0.17 -3.19 1.45 0.00 -1.64 0.00 0.00 33.01 29.46 3ksc s GLN 168 CO 0.41 0.54 1.86 0.93 0.50 0.00 0.00 175.29 179.53 3ksc h GLU 169 N 4.17 0.00 -0.02 1.67 3.07 -1.96 -0.61 114.58 120.89 3ksc h GLU 169 Ca -0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 3ksc h GLU 169 Cb 1.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 3ksc h GLU 169 CO 0.66 0.00 -0.17 1.19 -1.40 0.00 0.00 179.01 179.29 3ksc n PHE 170 N -3.77 0.00 -0.21 4.33 3.72 -1.26 -4.34 117.46 115.93 3ksc n PHE 170 Ca 0.11 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.52 3ksc n PHE 170 Cb 0.77 -0.01 0.26 0.00 -0.94 0.00 0.00 39.48 39.55 3ksc n PHE 170 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3ksc h LEU 171 N 3.44 0.84 -0.18 4.37 7.12 -1.41 -2.75 115.31 126.74 3ksc h LEU 171 Ca 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 57.99 3ksc h LEU 171 Cb 0.82 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 40.75 3ksc h LEU 171 CO 0.00 0.61 0.00 0.00 -0.13 0.00 0.00 178.44 178.92 3ksc n GLN 172 N -4.43 0.04 0.00 1.25 10.64 -1.26 -2.06 117.38 121.56 3ksc n GLN 172 Ca 0.08 0.35 0.12 0.00 -1.83 0.00 0.00 57.00 55.71 3ksc n GLN 172 Cb 0.04 -1.58 0.13 0.00 -0.86 0.00 0.00 30.24 27.97 3ksc n GLN 172 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3ksc n TYR 173 N -1.65 0.00 -2.24 2.61 4.01 -1.04 -4.88 117.16 113.98 3ksc n TYR 173 Ca 0.02 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.74 3ksc n TYR 173 Cb 0.14 -0.03 0.01 0.00 -0.31 0.00 0.00 39.34 39.15 3ksc n TYR 173 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3ksc n GLN 174 N 0.01 0.54 -3.62 -0.72 6.02 -0.88 -4.97 117.38 113.77 3ksc n GLN 174 Ca 0.11 -0.24 -0.04 0.00 -0.01 0.00 0.00 57.00 56.83 3ksc n GLN 174 Cb 0.45 -0.06 -0.03 0.00 1.02 0.00 0.00 30.24 31.62 3ksc n GLN 174 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 3ksc s HIS 175 N -0.09 -0.10 1.19 1.08 -3.43 -1.26 -5.08 115.29 107.59 3ksc s HIS 175 Ca 0.06 0.10 -0.13 0.00 -0.80 0.00 0.00 55.06 54.29 3ksc s HIS 175 Cb -0.00 0.50 0.28 0.00 -1.43 0.00 0.00 32.58 31.93 3ksc s HIS 175 CO 0.04 -0.13 0.93 1.04 -2.00 0.00 0.00 174.74 174.61 3ksc n GLN 176 N 0.15 -2.51 0.00 -0.38 3.00 -1.26 -5.25 117.38 111.13 3ksc n GLN 176 Ca 0.00 -0.71 0.00 0.00 -0.01 0.00 0.00 57.00 56.29 3ksc n GLN 176 Cb 0.58 -2.12 0.00 0.00 0.00 0.00 0.00 30.24 28.70 3ksc n GLN 176 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 3ksc n GLU 186 N -4.78 0.00 -0.03 -1.09 0.28 -1.26 -5.37 120.64 108.38 3ksc n GLU 186 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 3ksc n GLU 186 Cb 0.55 -0.77 0.00 0.00 1.43 0.00 0.00 31.44 32.64 3ksc n GLU 186 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3ksc n GLY 187 N 0.66 -0.52 0.00 -1.84 0.00 -1.26 -5.06 105.19 97.16 3ksc n GLY 187 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.33 3ksc n GLY 187 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ksc n ASN 188 N -0.85 0.06 -4.93 1.61 3.02 -1.26 -4.98 115.26 107.93 3ksc n ASN 188 Ca 0.00 -0.53 -0.25 0.00 -0.03 0.00 0.00 54.58 53.77 3ksc n ASN 188 Cb 0.00 0.06 0.02 0.00 -0.61 0.00 0.00 39.78 39.25 3ksc n ASN 188 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3ksc s ASN 189 N -0.06 5.69 0.27 6.41 6.03 -1.26 -4.79 114.94 127.24 3ksc s ASN 189 Ca 0.00 0.53 -0.03 0.00 -1.03 0.00 0.00 52.86 52.33 3ksc s ASN 189 Cb 0.00 -1.62 0.36 0.00 -3.03 0.00 0.00 41.25 36.96 3ksc s ASN 189 CO 0.00 -0.92 1.87 0.16 -2.03 0.00 0.00 177.10 176.18 3ksc h ILE 190 N 0.06 1.23 0.00 0.54 -0.00 -1.51 -1.12 117.51 116.71 3ksc h ILE 190 Ca -0.46 -0.67 -0.05 0.00 -0.00 0.00 0.00 64.86 63.69 3ksc h ILE 190 Cb 1.26 0.36 -0.01 0.00 -0.00 0.00 0.00 36.82 38.43 3ksc h ILE 190 CO 0.59 0.28 -0.24 -0.26 -0.00 0.00 0.00 178.15 178.52 3ksc h PHE 191 N 0.99 0.00 0.00 0.16 0.04 -1.84 -2.46 116.94 113.83 3ksc h PHE 191 Ca 0.24 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.01 3ksc h PHE 191 Cb 0.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.28 3ksc h PHE 191 CO 0.01 0.24 0.00 1.03 -0.60 0.00 0.00 178.31 178.99 3ksc h SER 192 N 0.00 0.00 0.40 2.17 0.87 -1.45 -2.59 113.55 112.95 3ksc h SER 192 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3ksc h SER 192 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 3ksc h SER 192 CO 0.03 0.00 -0.50 0.61 -0.53 0.00 0.00 176.83 176.45 3ksc n GLY 193 N -0.80 -1.08 3.93 5.77 0.00 -0.92 -4.62 105.19 107.46 3ksc n GLY 193 Ca -0.01 -0.39 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 3ksc n GLY 193 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ksc s PHE 194 N -2.89 3.48 0.05 1.61 0.08 -0.98 -5.05 117.98 114.28 3ksc s PHE 194 Ca 0.13 0.35 -0.31 0.00 0.12 0.00 0.00 56.93 57.23 3ksc s PHE 194 Cb 0.18 -1.86 -0.07 0.00 -0.57 0.00 0.00 43.02 40.70 3ksc s PHE 194 CO 0.68 0.37 1.41 0.21 -0.10 0.00 0.00 175.22 177.79 3ksc s LYS 195 N -3.34 4.29 0.25 0.44 2.47 -1.26 -4.91 119.74 117.69 3ksc s LYS 195 Ca 0.39 2.03 -0.08 0.00 -1.56 0.00 0.00 55.97 56.75 3ksc s LYS 195 Cb -0.11 -3.45 0.41 0.00 -1.46 0.00 0.00 37.83 33.21 3ksc s LYS 195 CO 0.29 -0.53 1.42 0.54 0.16 0.00 0.00 175.35 177.23 3ksc n ARG 196 N 4.84 -0.09 -0.32 4.03 1.74 -1.26 0.50 116.66 126.09 3ksc n ARG 196 Ca 0.13 1.42 0.03 0.00 -0.77 0.00 0.00 57.85 58.66 3ksc n ARG 196 Cb 0.43 -2.12 0.17 0.00 -1.02 0.00 0.00 32.46 29.92 3ksc n ARG 196 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3ksc h ASP 197 N 0.00 0.83 -0.60 0.55 3.45 -1.99 0.16 116.42 118.81 3ksc h ASP 197 Ca 0.43 0.03 0.11 0.00 0.43 0.00 0.00 57.03 58.04 3ksc h ASP 197 Cb 0.66 -0.13 -0.09 0.00 -0.56 0.00 0.00 39.33 39.21 3ksc h ASP 197 CO -0.94 0.49 0.12 -0.26 -1.57 0.00 0.00 179.24 177.09 3ksc h PHE 198 N 0.94 0.19 -0.23 4.55 -1.00 -0.33 -1.36 116.94 119.70 3ksc h PHE 198 Ca 0.42 0.04 -0.19 0.00 2.81 0.00 0.00 57.97 61.04 3ksc h PHE 198 Cb 0.30 0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.87 3ksc h PHE 198 CO -0.03 -0.04 -0.62 -0.07 -1.61 0.00 0.00 178.31 175.94 3ksc h LEU 199 N 0.25 0.90 -0.39 1.54 4.07 -0.62 -0.37 115.31 120.70 3ksc h LEU 199 Ca 0.32 -0.52 0.04 0.00 0.08 0.00 0.00 57.88 57.80 3ksc h LEU 199 Cb 0.48 -0.26 -0.04 0.00 1.08 0.00 0.00 40.66 41.91 3ksc h LEU 199 CO -0.41 1.30 0.15 -0.33 -1.08 0.00 0.00 178.44 178.08 3ksc h GLU 200 N 0.59 0.32 -0.18 1.13 5.08 -0.47 -0.25 114.58 120.80 3ksc h GLU 200 Ca -0.01 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 3ksc h GLU 200 Cb 1.22 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3ksc h GLU 200 CO 0.13 0.21 -0.67 -0.44 -1.00 0.00 0.00 179.01 177.24 3ksc h ASP 201 N 0.33 0.81 -0.03 1.42 3.32 -1.20 0.60 116.42 121.68 3ksc h ASP 201 Ca 0.18 -0.49 -0.11 0.00 0.02 0.00 0.00 57.03 56.63 3ksc h ASP 201 Cb 0.14 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3ksc h ASP 201 CO -0.17 1.26 -0.32 0.00 -1.72 0.00 0.00 179.24 178.30 3ksc h ALA 202 N 0.74 1.01 0.00 3.45 0.00 -0.80 -3.28 119.26 120.37 3ksc h ALA 202 Ca -0.02 -0.38 -0.21 0.00 0.00 0.00 0.00 54.91 54.30 3ksc h ALA 202 Cb 1.27 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 3ksc h ALA 202 CO 0.13 0.60 -2.10 1.19 0.00 0.00 0.00 179.25 179.07 3ksc n PHE 203 N -4.08 0.00 -3.07 0.00 3.72 -0.13 -5.01 117.46 108.89 3ksc n PHE 203 Ca -0.01 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.27 3ksc n PHE 203 Cb 0.45 -0.72 0.04 0.00 -0.94 0.00 0.00 39.48 38.31 3ksc n PHE 203 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3ksc n ASN 204 N -2.48 -4.25 -4.47 4.37 3.02 0.21 -5.04 115.26 106.61 3ksc n ASN 204 Ca -0.20 -0.28 -0.23 0.00 -0.03 0.00 0.00 54.58 53.84 3ksc n ASN 204 Cb 0.87 -2.88 -0.10 0.00 -0.61 0.00 0.00 39.78 37.05 3ksc n ASN 204 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3ksc s VAL 205 N -3.17 1.88 1.07 2.41 -7.23 -1.18 -5.06 120.40 109.13 3ksc s VAL 205 Ca 0.30 -2.16 -0.16 0.00 -1.81 0.00 0.00 61.98 58.15 3ksc s VAL 205 Cb -0.13 -2.52 0.23 0.00 0.56 0.00 0.00 36.38 34.52 3ksc s VAL 205 CO 0.38 -0.27 1.16 0.54 -0.31 0.00 0.00 175.10 176.61 3ksc s ASN 206 N -3.51 2.11 0.36 4.85 2.20 -1.26 -4.70 114.94 114.99 3ksc s ASN 206 Ca 0.31 0.67 0.08 0.00 -0.94 0.00 0.00 52.86 52.98 3ksc s ASN 206 Cb 0.03 -0.98 0.69 0.00 -2.00 0.00 0.00 41.25 38.99 3ksc s ASN 206 CO 0.14 -3.39 1.87 -0.09 -2.94 0.00 0.00 177.10 172.68 3ksc h ARG 207 N -2.08 0.30 0.16 3.55 9.65 -1.99 -2.87 114.38 121.09 3ksc h ARG 207 Ca -0.47 -0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 58.32 3ksc h ARG 207 Cb 1.29 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.84 3ksc h ARG 207 CO 0.43 0.45 -0.08 1.25 2.80 0.00 0.00 179.97 184.83 3ksc h HIS 208 N 0.28 -0.20 -0.93 2.20 2.76 -2.00 -1.97 115.15 115.29 3ksc h HIS 208 Ca 0.05 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.29 3ksc h HIS 208 Cb 0.44 0.07 -0.07 0.00 1.55 0.00 0.00 27.41 29.40 3ksc h HIS 208 CO 0.01 0.00 0.59 0.82 -1.30 0.00 0.00 177.93 178.05 3ksc h ILE 209 N -0.38 1.04 -0.40 6.26 2.04 -1.92 -2.02 117.51 122.13 3ksc h ILE 209 Ca -0.02 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 65.41 3ksc h ILE 209 Cb 0.30 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 3ksc h ILE 209 CO 0.04 0.19 -0.03 0.58 0.00 0.00 0.00 178.15 178.93 3ksc h VAL 210 N 1.05 1.27 -0.77 1.67 2.07 -1.39 0.26 116.25 120.41 3ksc h VAL 210 Ca 0.41 -1.07 0.07 0.00 0.82 0.00 0.00 66.70 66.94 3ksc h VAL 210 Cb 0.22 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 3ksc h VAL 210 CO -0.19 0.36 0.51 0.44 0.02 0.00 0.00 177.57 178.71 3ksc h ASP 211 N 0.55 0.70 -0.50 0.57 3.32 -0.99 -0.05 116.42 120.03 3ksc h ASP 211 Ca 0.11 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 3ksc h ASP 211 Cb 0.52 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3ksc h ASP 211 CO 0.03 0.44 0.02 0.03 -1.72 0.00 0.00 179.24 178.03 3ksc h ARG 212 N 0.79 0.88 -0.68 3.56 2.47 -0.85 -1.37 114.38 119.17 3ksc h ARG 212 Ca 0.34 -0.27 0.07 0.00 -1.26 0.00 0.00 59.98 58.86 3ksc h ARG 212 Cb 0.31 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.50 3ksc h ARG 212 CO -0.12 0.90 0.45 1.25 0.56 0.00 0.00 179.97 183.01 3ksc h LEU 213 N 0.74 0.60 -0.73 3.04 5.85 0.76 -1.46 115.31 124.11 3ksc h LEU 213 Ca 0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3ksc h LEU 213 Cb 0.50 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3ksc h LEU 213 CO 0.02 0.38 -0.21 0.00 -0.34 0.00 0.00 178.44 178.29 3ksc n GLN 214 N -4.48 1.14 -3.29 1.25 6.02 -0.21 -4.61 117.38 113.20 3ksc n GLN 214 Ca 0.10 -0.73 -0.21 0.00 -0.01 0.00 0.00 57.00 56.16 3ksc n GLN 214 Cb 0.24 -1.48 0.06 0.00 1.02 0.00 0.00 30.24 30.08 3ksc n GLN 214 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ksc n GLY 215 N 1.31 -0.37 0.18 1.08 0.00 -0.55 -4.59 105.19 102.25 3ksc n GLY 215 Ca 0.13 0.10 0.01 0.00 0.00 0.00 0.00 46.02 46.27 3ksc n GLY 215 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ksc h ARG 216 N -2.00 0.05 0.00 1.61 3.08 -1.57 -3.17 114.38 112.38 3ksc h ARG 216 Ca -0.49 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3ksc h ARG 216 Cb 1.32 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3ksc h ARG 216 CO 0.50 0.46 -1.00 0.09 -1.07 0.00 0.00 179.97 178.94 3ksc n ASN 217 N -4.03 0.63 -4.75 7.04 5.03 -1.26 -4.90 115.26 113.01 3ksc n ASN 217 Ca -0.02 -0.04 -0.40 0.00 0.87 0.00 0.00 54.58 55.00 3ksc n ASN 217 Cb 0.45 0.68 -0.06 0.00 -1.02 0.00 0.00 39.78 39.84 3ksc n ASN 217 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 3ksc s GLU 218 N -3.24 4.69 0.54 3.52 2.12 -1.20 -5.07 118.70 120.06 3ksc s GLU 218 Ca 0.03 1.32 -0.03 0.00 0.36 0.00 0.00 54.97 56.65 3ksc s GLU 218 Cb 0.13 -3.31 0.01 0.00 0.26 0.00 0.00 34.13 31.23 3ksc s GLU 218 CO 0.79 0.44 0.81 0.16 -0.54 0.00 0.00 175.26 176.91 3ksc s ASP 219 N -0.76 5.58 0.64 -1.70 -4.77 -1.26 -4.72 116.67 109.68 3ksc s ASP 219 Ca 0.40 0.44 0.43 0.00 -3.30 0.00 0.00 52.55 50.52 3ksc s ASP 219 Cb -0.24 -1.49 2.22 0.00 -1.09 0.00 0.00 42.92 42.32 3ksc s ASP 219 CO 0.29 -0.98 2.30 -0.08 0.70 0.00 0.00 175.17 177.40 3ksc h GLU 220 N 0.04 0.00 0.00 2.11 4.81 -1.98 -2.84 114.58 116.72 3ksc h GLU 220 Ca -0.45 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.67 3ksc h GLU 220 Cb 1.26 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 3ksc h GLU 220 CO 0.58 0.00 -0.50 1.49 -0.73 0.00 0.00 179.01 179.85 3ksc h GLU 221 N 0.00 0.00 0.42 1.92 4.81 -1.93 -3.32 114.58 116.48 3ksc h GLU 221 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3ksc h GLU 221 Cb 0.11 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3ksc h GLU 221 CO 0.00 0.50 -0.40 -0.22 -0.73 0.00 0.00 179.01 178.16 3ksc h LYS 222 N 0.00 -0.78 0.00 1.92 3.64 -1.86 -3.32 116.57 116.16 3ksc h LYS 222 Ca -0.01 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3ksc h LYS 222 Cb 0.96 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3ksc h LYS 222 CO 0.07 -0.52 0.00 0.41 -2.27 0.00 0.00 179.45 177.13 3ksc n GLY 223 N -1.45 0.48 0.31 5.01 0.00 -1.25 -0.22 105.19 108.07 3ksc n GLY 223 Ca -0.10 -1.96 0.04 0.00 0.00 0.00 0.00 46.02 44.00 3ksc n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ksc h ALA 224 N 0.00 1.69 -3.03 4.61 0.00 -1.92 -3.40 119.26 117.20 3ksc h ALA 224 Ca 0.00 -0.03 -0.64 0.00 0.00 0.00 0.00 54.91 54.24 3ksc h ALA 224 Cb 0.00 -0.18 -0.21 0.00 0.00 0.00 0.00 17.79 17.40 3ksc h ALA 224 CO 0.00 0.29 -0.62 0.42 0.00 0.00 0.00 179.25 179.34 3ksc s ILE 225 N -5.54 4.36 -0.02 0.00 1.01 -1.26 -2.02 121.20 117.73 3ksc s ILE 225 Ca -0.09 -0.16 0.06 0.00 0.00 0.00 0.00 60.65 60.46 3ksc s ILE 225 Cb 0.18 -3.01 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 3ksc s ILE 225 CO 0.74 0.37 -0.21 0.54 0.00 0.00 0.00 174.94 176.38 3ksc s VAL 226 N 1.30 1.67 0.23 2.92 0.11 0.61 -1.81 120.40 125.43 3ksc s VAL 226 Ca 0.05 -0.89 -0.30 0.00 -2.93 0.00 0.00 61.98 57.91 3ksc s VAL 226 Cb -0.15 -1.39 -0.09 0.00 -1.53 0.00 0.00 36.38 33.22 3ksc s VAL 226 CO 0.03 0.47 1.08 -0.54 -3.33 0.00 0.00 175.10 172.81 3ksc s LYS 227 N -0.39 4.64 -0.50 1.54 -0.14 -1.26 0.11 119.74 123.73 3ksc s LYS 227 Ca 0.05 1.72 -0.00 0.00 -1.36 0.00 0.00 55.97 56.39 3ksc s LYS 227 Cb -0.09 -3.24 0.13 0.00 -1.68 0.00 0.00 37.83 32.95 3ksc s LYS 227 CO -0.00 0.18 0.28 0.08 -0.76 0.00 0.00 175.35 175.13 3ksc s VAL 228 N -0.72 3.10 0.15 3.17 1.01 -0.24 -4.92 120.40 121.95 3ksc s VAL 228 Ca 0.46 -2.75 -0.25 0.00 0.00 0.00 0.00 61.98 59.44 3ksc s VAL 228 Cb -0.30 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 32.98 3ksc s VAL 228 CO 0.37 -0.77 1.60 0.50 0.00 0.00 0.00 175.10 176.80 3ksc h LYS 229 N 7.22 -0.33 -0.92 2.72 3.64 -1.96 -0.24 116.57 126.70 3ksc h LYS 229 Ca -0.06 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.46 3ksc h LYS 229 Cb 0.97 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.78 3ksc h LYS 229 CO 0.67 -0.22 0.55 0.78 -2.27 0.00 0.00 179.45 178.97 3ksc h GLY 230 N -0.34 1.49 -0.08 5.01 0.00 -1.97 -3.49 103.07 103.69 3ksc h GLY 230 Ca 0.13 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3ksc h GLY 230 CO -0.45 0.12 0.00 0.61 0.00 0.00 0.00 176.54 176.82 3ksc n GLY 231 N -1.33 -1.62 3.65 4.60 0.00 -0.10 -4.94 105.19 105.45 3ksc n GLY 231 Ca 0.17 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 3ksc n GLY 231 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ksc s LEU 232 N -0.58 4.24 -1.02 0.99 1.43 -1.26 -4.93 118.68 117.56 3ksc s LEU 232 Ca 0.00 2.14 -0.18 0.00 -1.03 0.00 0.00 54.13 55.06 3ksc s LEU 232 Cb 0.00 -3.53 0.13 0.00 0.03 0.00 0.00 46.19 42.81 3ksc s LEU 232 CO 0.00 -1.00 1.26 -0.44 0.23 0.00 0.00 176.35 176.40 3ksc s SER 233 N 3.58 6.72 0.09 2.29 0.01 -1.26 -4.98 113.70 120.16 3ksc s SER 233 Ca 0.74 -2.20 0.05 0.00 1.31 0.00 0.00 55.95 55.84 3ksc s SER 233 Cb -0.32 -2.43 -0.03 0.00 0.21 0.00 0.00 66.02 63.45 3ksc s SER 233 CO 0.30 -1.05 -0.12 0.27 0.41 0.00 0.00 173.24 173.04 3ksc s ILE 234 N 2.78 1.07 -0.29 1.44 -4.36 -1.26 -5.18 121.20 115.40 3ksc s ILE 234 Ca 0.37 -1.48 0.20 0.00 -0.26 0.00 0.00 60.65 59.48 3ksc s ILE 234 Cb -0.03 -1.23 0.48 0.00 1.25 0.00 0.00 42.46 42.93 3ksc s ILE 234 CO -0.07 -0.38 1.08 -0.38 0.24 0.00 0.00 174.94 175.44 3ksc n ILE 235 N 0.91 1.03 -1.27 8.37 -0.00 -1.26 -5.21 119.36 121.93 3ksc n ILE 235 Ca -0.18 -2.80 0.00 0.00 -0.00 0.00 0.00 62.75 59.77 3ksc n ILE 235 Cb 0.56 1.03 0.00 0.00 -0.00 0.00 0.00 39.64 41.23 3ksc n ILE 235 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 3ksc n THR 316 N -0.45 -1.60 -4.27 1.39 -2.24 -1.26 -4.97 114.28 100.88 3ksc n THR 316 Ca 0.06 0.77 -0.21 0.00 -2.27 0.00 0.00 64.05 62.40 3ksc n THR 316 Cb 0.81 -1.19 -0.16 0.00 -2.10 0.00 0.00 70.33 67.70 3ksc n THR 316 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ksc s VAL 317 N -4.19 0.66 -0.09 2.28 0.11 -1.26 -5.05 120.40 112.85 3ksc s VAL 317 Ca 0.00 -0.22 0.14 0.00 -2.93 0.00 0.00 61.98 58.97 3ksc s VAL 317 Cb 0.00 -0.65 0.21 0.00 -1.53 0.00 0.00 36.38 34.41 3ksc s VAL 317 CO 0.00 0.24 1.10 0.00 -3.33 0.00 0.00 175.10 173.11 3ksc n THR 319 N -1.08 1.15 -2.09 0.00 5.66 -1.26 -5.02 114.28 111.64 3ksc n THR 319 Ca 0.12 -1.12 -0.33 0.00 -3.05 0.00 0.00 64.05 59.66 3ksc n THR 319 Cb 0.61 0.41 0.01 0.00 -1.55 0.00 0.00 70.33 69.81 3ksc n THR 319 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ksc s ALA 320 N -1.23 2.69 0.06 1.79 0.00 -1.26 -5.00 121.76 118.81 3ksc s ALA 320 Ca 0.21 0.53 -0.31 0.00 0.00 0.00 0.00 51.96 52.40 3ksc s ALA 320 Cb 0.12 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.91 3ksc s ALA 320 CO 0.12 -0.83 1.29 0.21 0.00 0.00 0.00 175.76 176.54 3ksc s LYS 321 N -3.81 4.37 0.00 0.00 2.20 -1.26 -4.92 119.74 116.32 3ksc s LYS 321 Ca 0.66 1.88 0.24 0.00 -0.36 0.00 0.00 55.97 58.40 3ksc s LYS 321 Cb -0.18 -3.37 0.15 0.00 -1.51 0.00 0.00 37.83 32.92 3ksc s LYS 321 CO 0.34 -0.38 1.23 1.28 -0.36 0.00 0.00 175.35 177.46 3ksc n LEU 322 N 4.26 2.82 -3.65 5.43 7.99 -1.26 -4.60 117.00 128.00 3ksc n LEU 322 Ca 0.10 -0.95 -0.16 0.00 -0.01 0.00 0.00 56.01 54.99 3ksc n LEU 322 Cb 0.45 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.68 3ksc n LEU 322 CO 0.57 0.48 0.22 -0.60 -1.51 0.00 0.00 177.39 176.55 3ksc s ARG 323 N -2.09 0.85 -0.17 3.23 3.52 -1.26 -1.37 118.95 121.67 3ksc s ARG 323 Ca 0.26 0.03 -0.28 0.00 -0.13 0.00 0.00 55.73 55.62 3ksc s ARG 323 Cb 0.20 0.39 0.08 0.00 -1.56 0.00 0.00 34.95 34.06 3ksc s ARG 323 CO 0.35 -0.25 0.75 -1.17 -0.81 0.00 0.00 175.30 174.17 3ksc s LEU 324 N -1.24 -0.66 -0.01 -0.88 0.20 -0.65 -4.99 118.68 110.44 3ksc s LEU 324 Ca -0.12 1.03 -0.16 0.00 0.69 0.00 0.00 54.13 55.57 3ksc s LEU 324 Cb -0.03 2.41 -0.06 0.00 -0.43 0.00 0.00 46.19 48.09 3ksc s LEU 324 CO 0.07 -0.40 0.43 0.21 -0.29 0.00 0.00 176.35 176.38 3ksc s ASN 325 N -0.38 6.81 -0.04 3.68 3.84 -1.26 -0.24 114.94 127.35 3ksc s ASN 325 Ca -0.04 0.96 0.06 0.00 0.21 0.00 0.00 52.86 54.05 3ksc s ASN 325 Cb -0.03 -2.27 0.09 0.00 -0.55 0.00 0.00 41.25 38.49 3ksc s ASN 325 CO 0.04 0.26 0.98 2.30 -2.79 0.00 0.00 177.10 177.90 3ksc n ILE 326 N 2.14 0.64 -1.85 -5.21 -5.35 -0.53 -4.86 119.36 104.33 3ksc n ILE 326 Ca -0.12 -0.75 -0.16 0.00 -0.27 0.00 0.00 62.75 61.44 3ksc n ILE 326 Cb 0.52 0.34 0.10 0.00 -1.74 0.00 0.00 39.64 38.86 3ksc n ILE 326 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ksc n GLY 327 N -0.47 -0.63 0.40 3.28 0.00 -1.22 -4.65 105.19 101.90 3ksc n GLY 327 Ca 0.05 -1.80 0.18 0.00 0.00 0.00 0.00 46.02 44.44 3ksc n GLY 327 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ksc h PRO 328 N 0.00 0.00 -0.04 1.61 0.11 -1.95 -1.08 132.00 130.65 3ksc h PRO 328 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3ksc h PRO 328 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 3ksc h PRO 328 CO 0.19 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.85 3ksc n SER 329 N -3.20 0.90 -4.65 -2.05 3.41 -1.26 -4.87 113.62 101.91 3ksc n SER 329 Ca 0.07 -1.41 -0.23 0.00 -0.26 0.00 0.00 58.87 57.04 3ksc n SER 329 Cb 0.81 -0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.66 3ksc n SER 329 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3ksc s SER 330 N -1.83 4.49 -0.02 4.04 1.04 -0.41 -5.08 113.70 115.94 3ksc s SER 330 Ca 0.38 -0.72 -0.30 0.00 0.48 0.00 0.00 55.95 55.79 3ksc s SER 330 Cb 0.19 -0.77 -0.06 0.00 0.10 0.00 0.00 66.02 65.48 3ksc s SER 330 CO 0.31 -0.07 1.64 -0.94 0.98 0.00 0.00 173.24 175.15 3ksc s SER 331 N -3.70 6.67 0.90 7.02 1.04 -1.26 -4.95 113.70 119.41 3ksc s SER 331 Ca 0.33 2.29 -0.11 0.00 0.48 0.00 0.00 55.95 58.94 3ksc s SER 331 Cb -0.05 -2.54 0.14 0.00 0.10 0.00 0.00 66.02 63.66 3ksc s SER 331 CO 0.20 -0.90 1.10 -2.84 0.98 0.00 0.00 173.24 171.78 3ksc s PRO 332 N 3.57 1.16 -0.08 4.02 0.02 -1.26 -4.95 135.00 137.48 3ksc s PRO 332 Ca 0.73 1.14 0.03 0.00 0.02 0.00 0.00 61.00 62.92 3ksc s PRO 332 Cb -0.35 -1.77 -0.25 0.00 0.02 0.00 0.00 34.50 32.15 3ksc s PRO 332 CO 0.30 -2.40 0.53 -0.25 -0.33 0.00 0.00 177.00 174.85 3ksc n ASP 333 N -4.03 1.47 -3.72 2.53 8.00 0.92 -4.83 116.55 116.89 3ksc n ASP 333 Ca 0.08 0.32 -0.28 0.00 0.71 0.00 0.00 54.79 55.63 3ksc n ASP 333 Cb 0.54 -0.45 -0.16 0.00 -0.02 0.00 0.00 41.12 41.02 3ksc n ASP 333 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ksc s ILE 334 N -2.58 0.48 -0.17 0.53 1.01 -0.65 -4.98 121.20 114.84 3ksc s ILE 334 Ca -0.13 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 59.94 3ksc s ILE 334 Cb 0.07 -1.04 0.02 0.00 0.01 0.00 0.00 42.46 41.53 3ksc s ILE 334 CO 0.80 -0.26 -0.17 -0.47 0.00 0.00 0.00 174.94 174.84 3ksc s TYR 335 N 1.87 2.46 -0.31 3.97 5.04 -1.26 -0.71 117.35 128.42 3ksc s TYR 335 Ca 0.00 -1.44 0.02 0.00 -2.44 0.00 0.00 57.07 53.21 3ksc s TYR 335 Cb -0.17 -1.75 0.09 0.00 0.35 0.00 0.00 41.96 40.48 3ksc s TYR 335 CO -0.10 -0.74 0.05 1.21 -1.34 0.00 0.00 175.55 174.63 3ksc s ASN 336 N 1.39 4.31 0.59 4.32 2.47 -0.16 -5.01 114.94 122.85 3ksc s ASN 336 Ca 0.05 -1.77 0.18 0.00 0.42 0.00 0.00 52.86 51.74 3ksc s ASN 336 Cb -0.13 -1.25 0.98 0.00 -1.45 0.00 0.00 41.25 39.40 3ksc s ASN 336 CO -0.12 -0.36 1.52 -0.65 -3.72 0.00 0.00 177.10 173.77 3ksc h PRO 337 N 7.86 0.00 -0.11 0.43 0.11 -1.98 0.34 132.00 138.64 3ksc h PRO 337 Ca -0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3ksc h PRO 337 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3ksc h PRO 337 CO 0.48 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.66 3ksc n GLU 338 N -2.59 1.79 0.03 1.05 -0.58 -1.26 -4.75 120.64 114.33 3ksc n GLU 338 Ca -0.01 -1.75 0.00 0.00 -0.42 0.00 0.00 57.16 54.98 3ksc n GLU 338 Cb 0.54 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 30.04 3ksc n GLU 338 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ksc n ALA 339 N 1.08 3.00 0.00 0.62 0.00 0.10 -4.46 120.51 120.85 3ksc n ALA 339 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3ksc n ALA 339 Cb 0.48 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3ksc n ALA 339 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ksc n GLY 340 N 1.82 -0.52 3.26 0.00 0.00 -0.10 0.50 105.19 110.15 3ksc n GLY 340 Ca 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 3ksc n GLY 340 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ksc s ARG 341 N -1.65 0.77 -0.05 1.61 1.70 -0.79 -0.99 118.95 119.54 3ksc s ARG 341 Ca 0.00 -0.33 0.02 0.00 -0.47 0.00 0.00 55.73 54.95 3ksc s ARG 341 Cb 0.00 0.34 0.02 0.00 -0.57 0.00 0.00 34.95 34.73 3ksc s ARG 341 CO 0.00 -0.23 -0.09 0.42 -1.08 0.00 0.00 175.30 174.31 3ksc s ILE 342 N -1.96 0.90 -0.03 4.99 -1.09 0.11 -1.04 121.20 123.09 3ksc s ILE 342 Ca -0.09 -0.35 0.04 0.00 -2.23 0.00 0.00 60.65 58.02 3ksc s ILE 342 Cb -0.03 -0.85 -0.00 0.00 -1.58 0.00 0.00 42.46 40.00 3ksc s ILE 342 CO 0.01 0.30 -0.15 -0.75 -1.23 0.00 0.00 174.94 173.12 3ksc s LYS 343 N 0.70 1.45 -0.03 2.79 2.36 0.30 -0.05 119.74 127.26 3ksc s LYS 343 Ca -0.13 -0.53 0.02 0.00 -2.55 0.00 0.00 55.97 52.79 3ksc s LYS 343 Cb -0.15 -1.31 0.00 0.00 -1.05 0.00 0.00 37.83 35.32 3ksc s LYS 343 CO 0.02 0.24 -0.09 0.95 1.55 0.00 0.00 175.35 178.03 3ksc s THR 344 N -0.05 0.77 -0.19 3.43 -4.23 -1.26 0.17 115.64 114.28 3ksc s THR 344 Ca -0.01 -0.34 -0.08 0.00 -1.18 0.00 0.00 61.69 60.08 3ksc s THR 344 Cb -0.09 -0.69 -0.04 0.00 1.34 0.00 0.00 72.50 73.02 3ksc s THR 344 CO 0.01 0.24 0.07 0.54 -0.54 0.00 0.00 174.62 174.94 3ksc s VAL 345 N 0.24 4.86 0.11 2.29 0.11 0.74 -4.98 120.40 123.77 3ksc s VAL 345 Ca -0.04 -0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.02 3ksc s VAL 345 Cb -0.09 -3.20 -0.00 0.00 -1.53 0.00 0.00 36.38 31.56 3ksc s VAL 345 CO 0.01 0.46 0.05 0.35 -3.33 0.00 0.00 175.10 172.63 3ksc n THR 346 N 3.56 0.00 0.49 5.04 -2.24 -1.26 -1.58 114.28 118.29 3ksc n THR 346 Ca -0.16 -0.66 0.07 0.00 -2.27 0.00 0.00 64.05 61.02 3ksc n THR 346 Cb 0.52 0.25 0.32 0.00 -2.10 0.00 0.00 70.33 69.32 3ksc n THR 346 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3ksc n SER 347 N -2.00 0.05 -0.04 3.42 3.41 -0.92 -1.38 113.62 116.17 3ksc n SER 347 Ca -0.01 0.51 -0.15 0.00 -0.26 0.00 0.00 58.87 58.96 3ksc n SER 347 Cb 0.17 -0.52 -0.04 0.00 -0.26 0.00 0.00 64.21 63.56 3ksc n SER 347 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ksc h LEU 348 N 0.00 0.89 0.00 1.04 3.38 -1.94 -3.14 115.31 115.54 3ksc h LEU 348 Ca 0.00 -0.53 -0.22 0.00 0.09 0.00 0.00 57.88 57.22 3ksc h LEU 348 Cb 0.26 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3ksc h LEU 348 CO 0.00 1.31 -1.25 0.44 0.09 0.00 0.00 178.44 179.03 3ksc h ASP 349 N 0.57 0.00 -2.14 -0.43 5.19 -1.73 -3.43 116.42 114.44 3ksc h ASP 349 Ca -0.02 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 55.92 3ksc h ASP 349 Cb 1.26 0.00 -0.34 0.00 0.18 0.00 0.00 39.33 40.43 3ksc h ASP 349 CO 0.14 0.88 -0.81 -0.22 -3.12 0.00 0.00 179.24 176.11 3ksc s LEU 350 N -6.33 0.55 0.40 1.55 2.96 -0.48 -4.99 118.68 112.35 3ksc s LEU 350 Ca -0.01 -2.27 0.17 0.00 -0.22 0.00 0.00 54.13 51.79 3ksc s LEU 350 Cb 0.09 0.12 1.05 0.00 0.50 0.00 0.00 46.19 47.95 3ksc s LEU 350 CO 0.81 -0.22 1.84 -0.65 -1.32 0.00 0.00 176.35 176.81 3ksc h PRO 351 N 6.33 0.43 -0.67 0.98 0.11 -1.80 0.45 132.00 137.82 3ksc h PRO 351 Ca 0.13 -0.03 0.20 0.00 0.11 0.00 0.00 66.00 66.41 3ksc h PRO 351 Cb 0.99 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.98 3ksc h PRO 351 CO 0.25 0.28 0.59 -0.24 -0.21 0.00 0.00 178.00 178.67 3ksc h VAL 352 N 0.44 0.43 -0.00 3.15 3.04 -1.87 0.85 116.25 122.29 3ksc h VAL 352 Ca 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.19 3ksc h VAL 352 Cb 1.19 0.56 -0.00 0.00 -2.01 0.00 0.00 31.29 31.03 3ksc h VAL 352 CO -0.21 0.00 0.00 -0.07 -1.01 0.00 0.00 177.57 176.28 3ksc h LEU 353 N 0.00 0.00 -0.26 3.16 4.07 -1.22 -1.11 115.31 119.95 3ksc h LEU 353 Ca 0.32 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.28 3ksc h LEU 353 Cb 1.49 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.23 3ksc h LEU 353 CO -0.00 0.00 0.00 -2.11 -1.08 0.00 0.00 178.44 175.25 3ksc n ARG 354 N -3.73 0.11 0.04 1.13 1.85 0.29 -1.08 116.66 115.27 3ksc n ARG 354 Ca -0.03 0.28 -0.22 0.00 -1.00 0.00 0.00 57.85 56.88 3ksc n ARG 354 Cb 0.08 -1.68 -0.14 0.00 -1.05 0.00 0.00 32.46 29.67 3ksc n ARG 354 CO 0.00 0.00 0.00 -1.49 -0.01 0.00 0.00 177.63 176.13 3ksc h TRP 355 N 0.00 0.59 0.00 2.89 4.06 -1.37 -3.36 115.95 118.77 3ksc h TRP 355 Ca 0.00 -0.43 0.00 0.00 2.06 0.00 0.00 58.89 60.52 3ksc h TRP 355 Cb 0.39 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.53 3ksc h TRP 355 CO 0.00 1.74 -0.00 1.28 -3.56 0.00 0.00 178.44 177.90 3ksc n LEU 356 N -3.54 0.37 -3.93 -4.49 4.77 -1.05 -4.93 117.00 104.20 3ksc n LEU 356 Ca -0.29 0.53 -0.28 0.00 -0.03 0.00 0.00 56.01 55.95 3ksc n LEU 356 Cb 1.06 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 41.72 3ksc n LEU 356 CO 0.47 -0.08 -0.22 0.29 -1.33 0.00 0.00 177.39 176.52 3ksc n LYS 357 N -1.85 -2.71 -4.01 3.23 4.76 -0.24 -4.93 118.16 112.41 3ksc n LYS 357 Ca 0.06 0.38 -0.11 0.00 -2.87 0.00 0.00 58.31 55.78 3ksc n LYS 357 Cb 0.38 -4.33 -0.12 0.00 -1.84 0.00 0.00 35.03 29.12 3ksc n LYS 357 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ksc s LEU 358 N -6.92 2.20 0.28 -0.35 1.43 -1.21 -2.29 118.68 111.82 3ksc s LEU 358 Ca 0.10 -0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 52.72 3ksc s LEU 358 Cb -0.04 -0.03 -0.01 0.00 0.03 0.00 0.00 46.19 46.14 3ksc s LEU 358 CO 0.89 -0.21 0.40 -0.94 0.23 0.00 0.00 176.35 176.73 3ksc s SER 359 N -1.24 0.44 0.03 2.29 1.04 -1.03 -4.08 113.70 111.16 3ksc s SER 359 Ca -0.11 -1.28 -0.21 0.00 0.48 0.00 0.00 55.95 54.83 3ksc s SER 359 Cb -0.08 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.66 3ksc s SER 359 CO -0.00 -1.15 0.48 0.00 0.98 0.00 0.00 173.24 173.54 3ksc s ALA 360 N -3.61 -1.20 -0.03 5.32 0.00 -0.61 -2.13 121.76 119.51 3ksc s ALA 360 Ca 0.30 0.53 0.03 0.00 0.00 0.00 0.00 51.96 52.81 3ksc s ALA 360 Cb 0.01 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.44 3ksc s ALA 360 CO 0.15 -0.46 -0.09 -2.00 0.00 0.00 0.00 175.76 173.36 3ksc s GLU 361 N -2.26 1.00 -0.16 0.00 2.12 -0.69 -0.19 118.70 118.52 3ksc s GLU 361 Ca -0.06 -0.32 -0.02 0.00 0.36 0.00 0.00 54.97 54.93 3ksc s GLU 361 Cb -0.01 -0.93 -0.01 0.00 0.26 0.00 0.00 34.13 33.44 3ksc s GLU 361 CO -0.00 0.12 -0.10 -1.58 -0.54 0.00 0.00 175.26 173.16 3ksc s HIS 362 N 0.18 2.88 0.10 5.30 5.65 0.44 -0.40 115.29 129.44 3ksc s HIS 362 Ca -0.03 -0.68 0.07 0.00 0.25 0.00 0.00 55.06 54.67 3ksc s HIS 362 Cb -0.09 -1.93 -0.03 0.00 -1.18 0.00 0.00 32.58 29.35 3ksc s HIS 362 CO 0.01 -0.28 -0.17 0.20 -0.65 0.00 0.00 174.74 173.85 3ksc s GLY 363 N 0.64 1.07 -0.06 1.59 0.00 -0.72 -0.54 107.32 109.31 3ksc s GLY 363 Ca -0.05 -1.17 -0.01 0.00 0.00 0.00 0.00 44.72 43.49 3ksc s GLY 363 CO 0.03 -1.19 0.02 -0.45 0.00 0.00 0.00 173.10 171.51 3ksc s SER 364 N -1.96 1.35 -0.12 1.64 0.15 -0.21 -1.53 113.70 113.02 3ksc s SER 364 Ca 0.04 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.67 3ksc s SER 364 Cb -0.09 -0.32 -0.02 0.00 -1.71 0.00 0.00 66.02 63.89 3ksc s SER 364 CO 0.03 -0.21 -0.13 -0.76 1.20 0.00 0.00 173.24 173.38 3ksc s LEU 365 N 1.99 2.76 0.92 3.45 1.43 0.27 -1.89 118.68 127.60 3ksc s LEU 365 Ca 0.04 -0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 52.74 3ksc s LEU 365 Cb -0.12 -1.61 0.14 0.00 0.03 0.00 0.00 46.19 44.63 3ksc s LEU 365 CO -0.04 0.20 1.09 -1.00 0.23 0.00 0.00 176.35 176.83 3ksc s HIS 366 N 0.15 2.23 0.20 0.29 3.76 0.18 0.52 115.29 122.63 3ksc s HIS 366 Ca -0.07 1.24 -0.33 0.00 -0.15 0.00 0.00 55.06 55.76 3ksc s HIS 366 Cb -0.15 -3.17 -0.13 0.00 1.11 0.00 0.00 32.58 30.24 3ksc s HIS 366 CO 0.05 -2.52 1.67 1.17 -0.85 0.00 0.00 174.74 174.26 3ksc n LYS 367 N -3.96 2.58 -0.78 1.40 4.81 -0.65 -1.79 118.16 119.77 3ksc n LYS 367 Ca 0.07 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.44 3ksc n LYS 367 Cb 0.55 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.85 3ksc n LYS 367 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3ksc n ASN 368 N 3.72 0.00 -4.90 3.14 5.03 0.52 -4.67 115.26 118.10 3ksc n ASN 368 Ca 0.16 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.33 3ksc n ASN 368 Cb 0.33 -0.82 0.04 0.00 -1.02 0.00 0.00 39.78 38.31 3ksc n ASN 368 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ksc s ALA 369 N -2.96 3.14 0.05 5.41 0.00 -0.74 -3.86 121.76 122.80 3ksc s ALA 369 Ca 0.00 -0.57 -0.18 0.00 0.00 0.00 0.00 51.96 51.21 3ksc s ALA 369 Cb 0.00 -2.76 0.04 0.00 0.00 0.00 0.00 23.12 20.39 3ksc s ALA 369 CO 0.00 -0.95 0.41 0.00 0.00 0.00 0.00 175.76 175.23 3ksc s MET 370 N -5.14 0.94 0.05 0.00 0.23 -0.54 -1.02 119.30 113.82 3ksc s MET 370 Ca 0.56 -0.40 -0.17 0.00 -1.03 0.00 0.00 55.69 54.64 3ksc s MET 370 Cb -0.11 0.42 -0.06 0.00 -1.53 0.00 0.00 34.83 33.55 3ksc s MET 370 CO 0.48 -0.33 0.50 -0.59 -2.03 0.00 0.00 175.02 173.05 3ksc s PHE 371 N -2.63 3.77 0.79 3.16 -0.12 -1.09 0.01 117.98 121.86 3ksc s PHE 371 Ca -0.04 1.15 -0.14 0.00 -0.05 0.00 0.00 56.93 57.84 3ksc s PHE 371 Cb -0.00 -2.40 0.05 0.00 -0.63 0.00 0.00 43.02 40.03 3ksc s PHE 371 CO -0.03 0.61 1.05 1.33 -0.05 0.00 0.00 175.22 178.12 3ksc n VAL 372 N 1.72 2.15 -1.73 -2.49 0.24 -0.01 -3.49 118.33 114.73 3ksc n VAL 372 Ca -0.12 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.34 61.49 3ksc n VAL 372 Cb 0.51 -1.11 -0.01 0.00 -1.47 0.00 0.00 33.84 31.76 3ksc n VAL 372 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3ksc n PRO 373 N -2.61 2.39 -3.82 7.34 -0.02 -1.26 -4.72 135.00 132.30 3ksc n PRO 373 Ca 0.13 0.84 -0.05 0.00 -2.02 0.00 0.00 63.50 62.39 3ksc n PRO 373 Cb 0.50 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3ksc n PRO 373 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3ksc s HIS 374 N -0.83 -0.02 0.05 6.00 -3.43 -0.70 -0.04 115.29 116.32 3ksc s HIS 374 Ca 0.57 -0.44 -0.07 0.00 -0.80 0.00 0.00 55.06 54.33 3ksc s HIS 374 Cb -0.54 0.72 -0.01 0.00 -1.43 0.00 0.00 32.58 31.33 3ksc s HIS 374 CO 0.59 -1.13 0.14 1.52 -2.00 0.00 0.00 174.74 173.86 3ksc s TYR 375 N -2.86 0.18 -0.25 0.38 -0.85 -0.73 -0.63 117.35 112.59 3ksc s TYR 375 Ca 0.15 -0.52 -0.15 0.00 -0.52 0.00 0.00 57.07 56.03 3ksc s TYR 375 Cb -0.04 -0.11 -0.04 0.00 0.38 0.00 0.00 41.96 42.15 3ksc s TYR 375 CO 0.06 -0.43 0.38 -0.80 -1.52 0.00 0.00 175.55 173.24 3ksc s ASN 376 N -2.39 6.32 0.13 -0.18 0.01 -1.26 -1.12 114.94 116.45 3ksc s ASN 376 Ca -0.01 0.37 -0.20 0.00 -0.71 0.00 0.00 52.86 52.30 3ksc s ASN 376 Cb 0.01 -2.22 -0.03 0.00 0.41 0.00 0.00 41.25 39.43 3ksc s ASN 376 CO -0.07 -0.15 1.70 -0.07 -1.51 0.00 0.00 177.10 177.01 3ksc h LEU 377 N 8.26 -0.23 -2.81 0.60 4.07 -1.65 -1.35 115.31 122.21 3ksc h LEU 377 Ca -0.33 0.06 -0.03 0.00 0.08 0.00 0.00 57.88 57.66 3ksc h LEU 377 Cb 1.16 0.14 -0.07 0.00 1.08 0.00 0.00 40.66 42.97 3ksc h LEU 377 CO 0.67 -0.09 -0.43 -0.46 -1.08 0.00 0.00 178.44 177.05 3ksc n ASN 378 N -5.21 1.47 -3.64 -0.43 0.23 -1.26 -4.66 115.26 101.76 3ksc n ASN 378 Ca -0.03 -2.94 -0.15 0.00 -0.53 0.00 0.00 54.58 50.93 3ksc n ASN 378 Cb 0.14 -0.39 -0.08 0.00 -2.08 0.00 0.00 39.78 37.37 3ksc n ASN 378 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ksc s ALA 379 N -1.94 -1.38 0.41 -2.53 0.00 -1.26 -4.63 121.76 110.44 3ksc s ALA 379 Ca 0.28 1.17 -0.16 0.00 0.00 0.00 0.00 51.96 53.26 3ksc s ALA 379 Cb 0.27 -0.33 -0.09 0.00 0.00 0.00 0.00 23.12 22.98 3ksc s ALA 379 CO -0.04 -0.30 0.85 -0.80 0.00 0.00 0.00 175.76 175.47 3ksc s ASN 380 N -0.66 6.72 -0.04 0.00 0.01 -1.26 -3.12 114.94 116.59 3ksc s ASN 380 Ca -0.07 1.42 0.03 0.00 -0.71 0.00 0.00 52.86 53.52 3ksc s ASN 380 Cb -0.03 -2.43 0.01 0.00 0.41 0.00 0.00 41.25 39.20 3ksc s ASN 380 CO 0.05 -0.37 -0.11 -0.44 -1.51 0.00 0.00 177.10 174.72 3ksc s SER 381 N -2.63 1.52 -0.37 -1.22 0.01 -0.07 -1.35 113.70 109.59 3ksc s SER 381 Ca 0.57 -0.24 -0.05 0.00 1.31 0.00 0.00 55.95 57.53 3ksc s SER 381 Cb -0.10 -0.51 0.07 0.00 0.21 0.00 0.00 66.02 65.69 3ksc s SER 381 CO 0.23 0.07 0.14 -0.63 0.41 0.00 0.00 173.24 173.45 3ksc s ILE 382 N 0.34 3.57 -0.32 1.44 -1.09 0.21 0.09 121.20 125.44 3ksc s ILE 382 Ca -0.07 -1.50 -0.22 0.00 -2.23 0.00 0.00 60.65 56.63 3ksc s ILE 382 Cb -0.11 -3.18 -0.00 0.00 -1.58 0.00 0.00 42.46 37.59 3ksc s ILE 382 CO 0.02 -0.37 0.74 -0.63 -1.23 0.00 0.00 174.94 173.46 3ksc s ILE 383 N 1.30 4.82 -0.21 2.92 1.01 0.08 0.10 121.20 131.22 3ksc s ILE 383 Ca 0.01 1.04 -0.05 0.00 0.00 0.00 0.00 60.65 61.65 3ksc s ILE 383 Cb -0.21 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.12 3ksc s ILE 383 CO -0.00 -0.25 -0.01 -0.47 0.00 0.00 0.00 174.94 174.21 3ksc s TYR 384 N 2.88 3.01 -0.17 3.97 5.04 0.48 -0.38 117.35 132.18 3ksc s TYR 384 Ca 0.30 -0.65 -0.29 0.00 -2.44 0.00 0.00 57.07 53.99 3ksc s TYR 384 Cb -0.14 -2.11 -0.01 0.00 0.35 0.00 0.00 41.96 40.05 3ksc s TYR 384 CO 0.13 -0.38 1.14 0.00 -1.34 0.00 0.00 175.55 175.10 3ksc s ALA 385 N 1.27 3.62 -0.14 3.97 0.00 -0.42 -1.00 121.76 129.07 3ksc s ALA 385 Ca 0.04 0.37 -0.08 0.00 0.00 0.00 0.00 51.96 52.28 3ksc s ALA 385 Cb -0.15 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 3ksc s ALA 385 CO 0.00 -1.01 -0.06 -0.07 0.00 0.00 0.00 175.76 174.63 3ksc h LEU 386 N 9.21 0.00 -7.87 0.00 3.38 -1.30 0.58 115.31 119.31 3ksc h LEU 386 Ca -0.25 -0.08 -0.21 0.00 0.09 0.00 0.00 57.88 57.42 3ksc h LEU 386 Cb 1.10 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.60 3ksc h LEU 386 CO 0.95 0.76 -0.71 -0.75 0.09 0.00 0.00 178.44 178.77 3ksc s LYS 387 N -2.05 0.18 0.85 1.13 2.20 -1.13 -4.43 119.74 116.48 3ksc s LYS 387 Ca -0.12 -0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 3ksc s LYS 387 Cb 0.02 0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 3ksc s LYS 387 CO 0.21 -0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.59 3ksc n GLY 388 N 2.34 -1.83 3.13 5.54 0.00 -1.26 -1.43 105.19 111.69 3ksc n GLY 388 Ca -0.18 -1.64 -0.11 0.00 0.00 0.00 0.00 46.02 44.09 3ksc n GLY 388 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ksc s ARG 389 N 0.00 0.73 0.01 1.61 0.52 -1.26 -1.15 118.95 119.41 3ksc s ARG 389 Ca 0.00 -1.15 -0.13 0.00 -0.52 0.00 0.00 55.73 53.94 3ksc s ARG 389 Cb 0.00 -0.23 0.02 0.00 0.52 0.00 0.00 34.95 35.26 3ksc s ARG 389 CO 0.00 0.00 0.27 0.00 0.02 0.00 0.00 175.30 175.59 3ksc s ALA 390 N -2.90 -0.64 -0.33 2.13 0.00 -0.86 -0.90 121.76 118.27 3ksc s ALA 390 Ca 0.05 0.10 -0.22 0.00 0.00 0.00 0.00 51.96 51.88 3ksc s ALA 390 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.29 3ksc s ALA 390 CO -0.03 -0.30 0.74 0.50 0.00 0.00 0.00 175.76 176.67 3ksc s ARG 391 N -1.79 3.86 -0.05 0.00 3.00 0.34 -0.77 118.95 123.54 3ksc s ARG 391 Ca -0.11 0.40 0.06 0.00 -1.00 0.00 0.00 55.73 55.09 3ksc s ARG 391 Cb -0.04 -3.76 -0.01 0.00 0.00 0.00 0.00 34.95 31.14 3ksc s ARG 391 CO 0.01 -0.71 -0.24 -0.51 0.00 0.00 0.00 175.30 173.85 3ksc s LEU 392 N 2.91 2.15 -0.05 -0.88 1.02 -0.04 -0.06 118.68 123.72 3ksc s LEU 392 Ca 0.30 -0.47 0.04 0.00 0.02 0.00 0.00 54.13 54.02 3ksc s LEU 392 Cb -0.14 -1.39 -0.00 0.00 0.02 0.00 0.00 46.19 44.68 3ksc s LEU 392 CO 0.14 0.27 -0.18 -1.10 0.02 0.00 0.00 176.35 175.50 3ksc s GLN 393 N -0.30 1.93 -0.01 1.70 -0.21 -0.71 -2.24 119.66 119.81 3ksc s GLN 393 Ca 0.01 -0.62 0.02 0.00 0.02 0.00 0.00 55.36 54.79 3ksc s GLN 393 Cb -0.13 -1.64 -0.00 0.00 1.00 0.00 0.00 33.01 32.25 3ksc s GLN 393 CO 0.02 0.21 -0.08 0.54 -2.12 0.00 0.00 175.29 173.87 3ksc s VAL 394 N 0.15 0.65 0.04 1.09 0.11 -0.79 -1.02 120.40 120.64 3ksc s VAL 394 Ca -0.07 -0.32 0.07 0.00 -2.93 0.00 0.00 61.98 58.73 3ksc s VAL 394 Cb -0.13 -0.57 -0.02 0.00 -1.53 0.00 0.00 36.38 34.13 3ksc s VAL 394 CO 0.03 0.20 -0.19 0.54 -3.33 0.00 0.00 175.10 172.35 3ksc s VAL 395 N 0.03 1.53 0.00 2.04 0.11 0.10 -1.75 120.40 122.46 3ksc s VAL 395 Ca -0.00 -1.14 0.00 0.00 -2.93 0.00 0.00 61.98 57.91 3ksc s VAL 395 Cb -0.06 -1.34 0.00 0.00 -1.53 0.00 0.00 36.38 33.46 3ksc s VAL 395 CO -0.00 0.16 0.00 -0.46 -3.33 0.00 0.00 175.10 171.47 3ksc n ASN 396 N 1.87 0.00 0.00 3.54 6.94 -0.61 -1.66 115.26 125.33 3ksc n ASN 396 Ca -0.17 -0.35 0.14 0.00 -0.02 0.00 0.00 54.58 54.17 3ksc n ASN 396 Cb 0.54 0.00 0.70 0.00 -2.36 0.00 0.00 39.78 38.66 3ksc n ASN 396 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ksc n ASN 398 N -1.28 3.05 0.00 0.00 5.03 -1.26 -4.92 115.26 115.87 3ksc n ASN 398 Ca 0.13 -1.90 0.00 0.00 0.87 0.00 0.00 54.58 53.69 3ksc n ASN 398 Cb 0.22 -0.16 0.00 0.00 -1.02 0.00 0.00 39.78 38.82 3ksc n ASN 398 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ksc n GLY 399 N 1.20 0.61 3.76 7.41 0.00 -1.22 -5.03 105.19 111.91 3ksc n GLY 399 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3ksc n GLY 399 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ksc s ASN 400 N -2.11 7.35 -0.77 1.61 0.02 -1.26 -4.89 114.94 114.89 3ksc s ASN 400 Ca 0.00 1.61 -0.22 0.00 -1.02 0.00 0.00 52.86 53.23 3ksc s ASN 400 Cb 0.00 -2.50 0.08 0.00 0.02 0.00 0.00 41.25 38.85 3ksc s ASN 400 CO 0.00 0.11 1.07 -0.89 0.02 0.00 0.00 177.10 177.41 3ksc s THR 401 N -0.67 4.38 -1.24 1.60 2.01 -1.26 -1.58 115.64 118.88 3ksc s THR 401 Ca 0.38 -0.71 0.29 0.00 0.31 0.00 0.00 61.69 61.95 3ksc s THR 401 Cb -0.22 -4.76 0.31 0.00 0.01 0.00 0.00 72.50 67.84 3ksc s THR 401 CO 0.26 -1.53 1.86 1.33 -0.69 0.00 0.00 174.62 175.84 3ksc n VAL 402 N 5.90 0.00 -3.67 3.82 0.24 -0.71 -4.63 118.33 119.28 3ksc n VAL 402 Ca 0.08 -0.01 -0.08 0.00 -2.04 0.00 0.00 64.34 62.29 3ksc n VAL 402 Cb 0.47 -0.29 -0.09 0.00 -1.47 0.00 0.00 33.84 32.47 3ksc n VAL 402 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3ksc s PHE 403 N -2.79 -0.87 -0.28 6.34 5.36 -1.13 0.96 117.98 125.57 3ksc s PHE 403 Ca 0.20 1.70 -0.02 0.00 -0.96 0.00 0.00 56.93 57.85 3ksc s PHE 403 Cb 0.19 0.44 0.11 0.00 -0.34 0.00 0.00 43.02 43.43 3ksc s PHE 403 CO 0.53 -0.47 0.21 0.34 -1.46 0.00 0.00 175.22 174.37 3ksc s ASP 404 N 1.97 2.41 0.00 6.13 2.15 -1.25 -1.88 116.67 126.19 3ksc s ASP 404 Ca -0.07 -0.90 0.00 0.00 0.43 0.00 0.00 52.55 52.01 3ksc s ASP 404 Cb -0.09 0.12 0.00 0.00 -0.30 0.00 0.00 42.92 42.66 3ksc s ASP 404 CO -0.15 -0.40 0.00 0.61 -0.17 0.00 0.00 175.17 175.05 3ksc n GLY 405 N 5.29 -0.75 3.85 2.66 0.00 -0.95 -5.02 105.19 110.26 3ksc n GLY 405 Ca -0.04 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 3ksc n GLY 405 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ksc s GLU 406 N -0.79 3.63 -0.31 1.61 2.12 -1.26 -0.87 118.70 122.83 3ksc s GLU 406 Ca 0.00 -0.03 0.03 0.00 0.36 0.00 0.00 54.97 55.32 3ksc s GLU 406 Cb 0.00 -3.23 0.08 0.00 0.26 0.00 0.00 34.13 31.24 3ksc s GLU 406 CO 0.00 0.69 -0.00 -1.17 -0.54 0.00 0.00 175.26 174.24 3ksc s LEU 407 N -0.84 4.23 0.17 2.70 2.96 0.05 -4.79 118.68 123.17 3ksc s LEU 407 Ca 0.16 -1.79 -0.02 0.00 -0.22 0.00 0.00 54.13 52.26 3ksc s LEU 407 Cb -0.13 -1.62 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 3ksc s LEU 407 CO 0.05 -0.31 0.36 -1.83 -1.32 0.00 0.00 176.35 173.31 3ksc s GLU 408 N 1.02 3.54 0.15 1.98 -1.05 -1.26 -2.02 118.70 121.06 3ksc s GLU 408 Ca 0.02 -0.27 -0.32 0.00 -0.15 0.00 0.00 54.97 54.24 3ksc s GLU 408 Cb -0.20 -2.87 -0.17 0.00 -0.44 0.00 0.00 34.13 30.45 3ksc s GLU 408 CO -0.06 0.45 0.84 0.00 0.95 0.00 0.00 175.26 177.44 3ksc n ALA 409 N -0.31 -2.43 -0.28 -0.84 0.00 -0.30 -2.24 120.51 114.10 3ksc n ALA 409 Ca -0.04 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3ksc n ALA 409 Cb 0.53 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3ksc n ALA 409 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ksc n GLY 410 N 1.81 0.80 3.62 0.00 0.00 0.20 -4.95 105.19 106.66 3ksc n GLY 410 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 3ksc n GLY 410 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ksc s ARG 411 N -0.62 2.11 -0.02 1.61 0.52 -0.95 -4.72 118.95 116.87 3ksc s ARG 411 Ca 0.00 -1.62 0.06 0.00 -0.52 0.00 0.00 55.73 53.65 3ksc s ARG 411 Cb 0.00 -2.00 -0.01 0.00 0.52 0.00 0.00 34.95 33.45 3ksc s ARG 411 CO 0.00 0.24 -0.21 0.00 0.02 0.00 0.00 175.30 175.36 3ksc s ALA 412 N -2.44 1.73 -0.09 2.13 0.00 -0.39 -1.30 121.76 121.39 3ksc s ALA 412 Ca 0.33 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.45 3ksc s ALA 412 Cb -0.03 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.63 3ksc s ALA 412 CO 0.19 0.41 -0.23 -1.17 0.00 0.00 0.00 175.76 174.96 3ksc s LEU 413 N -0.41 2.04 -0.11 0.00 2.96 0.49 -1.04 118.68 122.60 3ksc s LEU 413 Ca 0.06 -0.53 -0.21 0.00 -0.22 0.00 0.00 54.13 53.23 3ksc s LEU 413 Cb -0.09 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 3ksc s LEU 413 CO -0.00 0.15 0.62 -0.89 -1.32 0.00 0.00 176.35 174.91 3ksc s THR 414 N 0.36 5.08 -0.36 3.68 2.01 -1.26 -0.74 115.64 124.41 3ksc s THR 414 Ca -0.18 1.26 0.02 0.00 0.31 0.00 0.00 61.69 63.10 3ksc s THR 414 Cb -0.18 -3.96 0.11 0.00 0.01 0.00 0.00 72.50 68.48 3ksc s THR 414 CO 0.08 0.25 0.11 -0.69 -0.69 0.00 0.00 174.62 173.67 3ksc s VAL 415 N 0.96 1.85 0.44 3.82 1.01 0.11 -4.99 120.40 123.59 3ksc s VAL 415 Ca 0.33 -2.22 -0.25 0.00 0.00 0.00 0.00 61.98 59.83 3ksc s VAL 415 Cb -0.17 -2.36 -0.09 0.00 0.00 0.00 0.00 36.38 33.77 3ksc s VAL 415 CO 0.14 -0.67 1.34 -2.65 0.00 0.00 0.00 175.10 173.26 3ksc n PRO 416 N 4.21 2.04 -1.44 2.72 -0.02 -1.26 -0.89 135.00 140.36 3ksc n PRO 416 Ca 0.03 0.73 -0.50 0.00 -2.02 0.00 0.00 63.50 61.73 3ksc n PRO 416 Cb 0.40 -2.49 -0.04 0.00 -0.02 0.00 0.00 33.50 31.35 3ksc n PRO 416 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3ksc n GLN 417 N -0.09 0.13 0.00 -0.52 7.27 -1.18 -1.68 117.38 121.31 3ksc n GLN 417 Ca 0.06 0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.18 3ksc n GLN 417 Cb 0.41 -1.21 0.00 0.00 2.41 0.00 0.00 30.24 31.84 3ksc n GLN 417 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3ksc n ASN 418 N 1.84 0.00 -4.77 1.69 5.03 -0.51 -4.97 115.26 113.58 3ksc n ASN 418 Ca 0.18 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.23 3ksc n ASN 418 Cb 0.21 -0.05 0.02 0.00 -1.02 0.00 0.00 39.78 38.93 3ksc n ASN 418 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3ksc s TYR 419 N -0.40 2.48 0.22 3.10 1.51 -0.68 -4.77 117.35 118.80 3ksc s TYR 419 Ca 0.00 1.26 -0.08 0.00 -1.01 0.00 0.00 57.07 57.25 3ksc s TYR 419 Cb 0.00 -3.91 -0.06 0.00 -0.11 0.00 0.00 41.96 37.87 3ksc s TYR 419 CO 0.00 -2.90 0.51 0.00 -1.11 0.00 0.00 175.55 172.04 3ksc s ALA 420 N -1.20 3.63 -0.07 3.71 0.00 -0.66 -4.37 121.76 122.80 3ksc s ALA 420 Ca 0.60 -0.39 -0.10 0.00 0.00 0.00 0.00 51.96 52.08 3ksc s ALA 420 Cb -0.44 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 20.37 3ksc s ALA 420 CO 0.56 0.51 0.25 0.54 0.00 0.00 0.00 175.76 177.62 3ksc s VAL 421 N -1.82 0.02 0.03 0.00 0.11 0.19 -0.72 120.40 118.22 3ksc s VAL 421 Ca 0.45 -0.18 -0.04 0.00 -2.93 0.00 0.00 61.98 59.28 3ksc s VAL 421 Cb -0.11 -0.41 -0.02 0.00 -1.53 0.00 0.00 36.38 34.31 3ksc s VAL 421 CO 0.23 -0.10 0.06 0.00 -3.33 0.00 0.00 175.10 171.96 3ksc s ALA 422 N -0.33 0.02 0.01 1.54 0.00 -0.18 -1.73 121.76 121.08 3ksc s ALA 422 Ca -0.04 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.32 3ksc s ALA 422 Cb -0.03 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 3ksc s ALA 422 CO 0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 175.76 175.44 3ksc s ALA 423 N -2.45 0.33 -0.11 0.00 0.00 -1.23 -1.74 121.76 116.56 3ksc s ALA 423 Ca -0.06 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 51.56 3ksc s ALA 423 Cb -0.02 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.10 3ksc s ALA 423 CO -0.04 0.02 -0.12 0.21 0.00 0.00 0.00 175.76 175.83 3ksc s LYS 424 N -0.59 1.92 0.17 0.00 2.20 0.91 -2.68 119.74 121.68 3ksc s LYS 424 Ca -0.03 -0.43 -0.31 0.00 -0.36 0.00 0.00 55.97 54.84 3ksc s LYS 424 Cb -0.04 -1.75 -0.09 0.00 -1.51 0.00 0.00 37.83 34.44 3ksc s LYS 424 CO -0.00 -0.15 1.38 0.45 -0.36 0.00 0.00 175.35 176.66 3ksc s SER 425 N 1.28 6.81 0.00 1.43 0.15 -0.19 0.13 113.70 123.31 3ksc s SER 425 Ca -0.02 2.43 0.22 0.00 0.70 0.00 0.00 55.95 59.28 3ksc s SER 425 Cb -0.14 -2.60 0.43 0.00 -1.71 0.00 0.00 66.02 62.00 3ksc s SER 425 CO -0.05 -0.62 1.39 0.18 1.20 0.00 0.00 173.24 175.34 3ksc n LEU 426 N 3.14 3.45 -4.23 3.45 4.77 -0.08 -0.36 117.00 127.14 3ksc n LEU 426 Ca 0.09 -1.58 -0.13 0.00 -0.03 0.00 0.00 56.01 54.36 3ksc n LEU 426 Cb 0.42 -0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 41.14 3ksc n LEU 426 CO 0.59 0.76 -0.40 -0.44 -1.33 0.00 0.00 177.39 176.57 3ksc s SER 427 N -1.37 1.66 0.25 -1.43 0.01 -1.21 -4.85 113.70 106.75 3ksc s SER 427 Ca 0.38 -1.01 -0.05 0.00 1.31 0.00 0.00 55.95 56.58 3ksc s SER 427 Cb 0.22 0.01 0.48 0.00 0.21 0.00 0.00 66.02 66.94 3ksc s SER 427 CO 0.30 -0.36 1.65 -0.78 0.41 0.00 0.00 173.24 174.46 3ksc h ASP 428 N 2.82 -0.19 -3.53 2.44 1.82 -1.91 -1.72 116.42 116.14 3ksc h ASP 428 Ca -0.36 0.18 -0.48 0.00 -0.39 0.00 0.00 57.03 55.98 3ksc h ASP 428 Cb 1.19 0.29 -0.33 0.00 0.68 0.00 0.00 39.33 41.15 3ksc h ASP 428 CO 0.64 -0.13 -0.80 -0.60 -1.61 0.00 0.00 179.24 176.73 3ksc s ARG 429 N -6.07 1.39 -0.13 0.28 6.06 -1.26 -2.17 118.95 117.05 3ksc s ARG 429 Ca -0.13 -0.34 0.02 0.00 -2.50 0.00 0.00 55.73 52.77 3ksc s ARG 429 Cb 0.22 -1.21 -0.00 0.00 0.06 0.00 0.00 34.95 34.03 3ksc s ARG 429 CO 0.76 0.04 -0.18 0.12 -2.50 0.00 0.00 175.30 173.53 3ksc s PHE 430 N 0.58 2.71 0.08 5.12 5.36 0.19 -4.10 117.98 127.92 3ksc s PHE 430 Ca -0.11 -1.03 0.05 0.00 -0.96 0.00 0.00 56.93 54.88 3ksc s PHE 430 Cb -0.14 -1.82 -0.03 0.00 -0.34 0.00 0.00 43.02 40.69 3ksc s PHE 430 CO 0.02 -0.44 -0.14 -1.54 -1.46 0.00 0.00 175.22 171.66 3ksc s SER 431 N 0.62 1.76 0.04 6.13 1.04 -0.51 0.95 113.70 123.73 3ksc s SER 431 Ca -0.10 -0.66 -0.22 0.00 0.48 0.00 0.00 55.95 55.45 3ksc s SER 431 Cb -0.16 -0.05 0.05 0.00 0.10 0.00 0.00 66.02 65.96 3ksc s SER 431 CO 0.03 -0.09 0.51 -0.72 0.98 0.00 0.00 173.24 173.96 3ksc s TYR 432 N -1.44 -0.42 -0.15 5.02 1.13 -0.59 -0.79 117.35 120.11 3ksc s TYR 432 Ca 0.00 0.48 -0.01 0.00 -1.41 0.00 0.00 57.07 56.13 3ksc s TYR 432 Cb -0.09 0.33 -0.01 0.00 -1.10 0.00 0.00 41.96 41.09 3ksc s TYR 432 CO 0.02 -0.63 -0.11 0.54 -2.51 0.00 0.00 175.55 172.86 3ksc s VAL 433 N -2.37 3.10 -0.28 -3.49 0.11 -0.17 -1.75 120.40 115.56 3ksc s VAL 433 Ca -0.06 -0.63 -0.07 0.00 -2.93 0.00 0.00 61.98 58.29 3ksc s VAL 433 Cb -0.01 -2.33 -0.01 0.00 -1.53 0.00 0.00 36.38 32.51 3ksc s VAL 433 CO -0.01 0.50 0.09 0.00 -3.33 0.00 0.00 175.10 172.35 3ksc s ALA 434 N 0.64 3.12 -0.01 1.54 0.00 0.46 -0.39 121.76 127.13 3ksc s ALA 434 Ca -0.06 -1.34 -0.23 0.00 0.00 0.00 0.00 51.96 50.33 3ksc s ALA 434 Cb -0.15 -2.16 -0.05 0.00 0.00 0.00 0.00 23.12 20.76 3ksc s ALA 434 CO 0.03 -0.77 0.69 -0.06 0.00 0.00 0.00 175.76 175.64 3ksc s PHE 435 N 1.55 3.66 -0.01 0.00 0.08 0.11 -1.71 117.98 121.67 3ksc s PHE 435 Ca 0.04 1.30 0.04 0.00 0.12 0.00 0.00 56.93 58.43 3ksc s PHE 435 Cb -0.16 -2.74 -0.01 0.00 -0.57 0.00 0.00 43.02 39.53 3ksc s PHE 435 CO 0.03 0.23 -0.13 0.15 -0.10 0.00 0.00 175.22 175.40 3ksc s LYS 436 N 0.22 1.03 -1.01 0.44 1.02 -0.90 0.67 119.74 121.21 3ksc s LYS 436 Ca 0.36 -0.46 -0.07 0.00 0.02 0.00 0.00 55.97 55.81 3ksc s LYS 436 Cb -0.19 -1.00 -0.03 0.00 -0.52 0.00 0.00 37.83 36.09 3ksc s LYS 436 CO 0.19 0.27 2.87 0.25 -0.92 0.00 0.00 175.35 178.02 3ksc n THR 437 N 2.74 4.20 -3.64 2.17 -2.24 -0.46 -2.47 114.28 114.58 3ksc n THR 437 Ca -0.14 -3.02 -0.04 0.00 -2.27 0.00 0.00 64.05 58.58 3ksc n THR 437 Cb 0.56 -2.14 -0.07 0.00 -2.10 0.00 0.00 70.33 66.58 3ksc n THR 437 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ksc s ASN 438 N 1.23 -0.32 0.51 3.42 3.84 -0.97 -4.59 114.94 118.06 3ksc s ASN 438 Ca 0.62 0.56 0.30 0.00 0.21 0.00 0.00 52.86 54.55 3ksc s ASN 438 Cb 0.24 0.82 1.06 0.00 -0.55 0.00 0.00 41.25 42.82 3ksc s ASN 438 CO -0.09 -0.09 1.87 -2.24 -2.79 0.00 0.00 177.10 173.76 3ksc h ASP 439 N 4.64 0.00 -1.28 -4.21 2.03 -1.71 -3.01 116.42 112.89 3ksc h ASP 439 Ca -0.28 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.47 3ksc h ASP 439 Cb 1.18 0.00 -0.42 0.00 -0.83 0.00 0.00 39.33 39.26 3ksc h ASP 439 CO 0.17 0.04 -0.79 0.54 -1.03 0.00 0.00 179.24 178.16 3ksc n ARG 440 N -3.13 3.27 -1.67 4.15 5.12 -1.26 -2.16 116.66 120.97 3ksc n ARG 440 Ca 0.01 -4.32 -0.52 0.00 -1.93 0.00 0.00 57.85 51.10 3ksc n ARG 440 Cb 0.38 -2.17 -0.06 0.00 -1.16 0.00 0.00 32.46 29.45 3ksc n ARG 440 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ksc n ALA 441 N -0.51 0.21 -2.73 7.54 0.00 -1.17 -4.95 120.51 118.90 3ksc n ALA 441 Ca 0.37 0.40 -0.35 0.00 0.00 0.00 0.00 53.44 53.87 3ksc n ALA 441 Cb 0.75 -2.29 -0.10 0.00 0.00 0.00 0.00 19.45 17.81 3ksc n ALA 441 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ksc s GLY 442 N 2.48 1.82 0.00 0.00 0.00 -1.26 -5.05 107.32 105.31 3ksc s GLY 442 Ca 0.90 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 44.83 3ksc s GLY 442 CO 0.52 -0.45 -0.01 -0.26 0.00 0.00 0.00 173.10 172.89 3ksc s ILE 443 N -0.59 4.05 -0.23 0.90 -4.36 -1.26 -1.55 121.20 118.15 3ksc s ILE 443 Ca 0.10 -0.65 -0.05 0.00 -0.26 0.00 0.00 60.65 59.79 3ksc s ILE 443 Cb -0.12 -2.80 -0.01 0.00 1.25 0.00 0.00 42.46 40.78 3ksc s ILE 443 CO 0.02 0.37 -0.01 0.00 0.24 0.00 0.00 174.94 175.56 3ksc s ALA 444 N -1.07 2.89 -0.05 2.27 0.00 -0.27 -4.94 121.76 120.58 3ksc s ALA 444 Ca 0.19 -1.21 -0.27 0.00 0.00 0.00 0.00 51.96 50.67 3ksc s ALA 444 Cb -0.11 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.17 3ksc s ALA 444 CO 0.10 -0.51 0.88 1.03 0.00 0.00 0.00 175.76 177.26 3ksc s ARG 445 N 1.49 4.48 0.27 0.00 0.52 -1.26 -1.77 118.95 122.68 3ksc s ARG 445 Ca 0.05 1.21 0.14 0.00 -0.52 0.00 0.00 55.73 56.61 3ksc s ARG 445 Cb -0.15 -3.48 0.21 0.00 0.52 0.00 0.00 34.95 32.05 3ksc s ARG 445 CO -0.02 -0.08 1.51 -0.07 0.02 0.00 0.00 175.30 176.66 3ksc h LEU 446 N 7.13 0.00 0.00 2.53 4.07 -0.79 -0.01 115.31 128.23 3ksc h LEU 446 Ca -0.38 0.00 -0.40 0.00 0.08 0.00 0.00 57.88 57.18 3ksc h LEU 446 Cb 1.19 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.83 3ksc h LEU 446 CO 0.78 0.59 -0.37 0.00 -1.08 0.00 0.00 178.44 178.35 3ksc n ALA 447 N -2.29 0.53 0.00 1.53 0.00 -1.20 -4.47 120.51 114.61 3ksc n ALA 447 Ca 0.01 -1.57 0.00 0.00 0.00 0.00 0.00 53.44 51.88 3ksc n ALA 447 Cb 0.70 1.19 0.00 0.00 0.00 0.00 0.00 19.45 21.35 3ksc n ALA 447 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ksc n GLY 448 N -0.38 -0.89 0.32 0.00 0.00 -1.26 -4.19 105.19 98.78 3ksc n GLY 448 Ca 0.02 -1.68 0.08 0.00 0.00 0.00 0.00 46.02 44.45 3ksc n GLY 448 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ksc h THR 449 N 0.00 1.01 -0.55 2.61 1.03 -0.54 -2.39 112.91 114.08 3ksc h THR 449 Ca 0.00 -0.14 -0.31 0.00 -0.01 0.00 0.00 66.41 65.95 3ksc h THR 449 Cb 0.00 0.56 -0.18 0.00 -1.07 0.00 0.00 68.15 67.45 3ksc h THR 449 CO 0.00 0.08 0.07 -1.20 -0.01 0.00 0.00 175.52 174.46 3ksc n SER 450 N -4.48 3.23 -4.72 0.00 7.64 -1.26 -4.90 113.62 109.13 3ksc n SER 450 Ca 0.05 -3.76 -0.31 0.00 1.01 0.00 0.00 58.87 55.86 3ksc n SER 450 Cb 0.19 -0.68 0.13 0.00 -1.01 0.00 0.00 64.21 62.83 3ksc n SER 450 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3ksc s SER 451 N -2.34 3.75 0.21 6.43 1.04 -0.90 -4.65 113.70 117.25 3ksc s SER 451 Ca 0.49 1.99 -0.09 0.00 0.48 0.00 0.00 55.95 58.82 3ksc s SER 451 Cb 0.43 -2.54 0.30 0.00 0.10 0.00 0.00 66.02 64.31 3ksc s SER 451 CO 0.02 -2.54 1.73 0.58 0.98 0.00 0.00 173.24 174.01 3ksc h VAL 452 N -1.48 0.72 -0.55 5.02 2.07 -1.21 -2.48 116.25 118.34 3ksc h VAL 452 Ca -0.43 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.05 3ksc h VAL 452 Cb 1.25 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 31.26 3ksc h VAL 452 CO 0.47 0.07 0.14 0.40 0.02 0.00 0.00 177.57 178.67 3ksc h ILE 453 N 0.37 0.71 -0.84 4.57 5.03 -1.83 -1.48 117.51 124.05 3ksc h ILE 453 Ca 0.32 -0.10 0.10 0.00 -0.12 0.00 0.00 64.86 65.07 3ksc h ILE 453 Cb 0.43 0.40 -0.06 0.00 -3.03 0.00 0.00 36.82 34.56 3ksc h ILE 453 CO -0.34 0.05 0.54 0.78 -0.68 0.00 0.00 178.15 178.50 3ksc h ASN 454 N 0.29 0.71 0.61 1.72 4.21 -1.78 -2.47 115.58 118.87 3ksc h ASN 454 Ca 0.28 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.81 3ksc h ASN 454 Cb 0.38 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.45 3ksc h ASN 454 CO -0.34 0.41 -0.27 0.59 -1.29 0.00 0.00 177.43 176.53 3ksc n ASN 455 N -4.52 0.38 -4.78 5.81 4.13 -0.60 -4.77 115.26 110.91 3ksc n ASN 455 Ca 0.14 -0.11 -0.37 0.00 1.68 0.00 0.00 54.58 55.92 3ksc n ASN 455 Cb 0.34 -0.03 -0.06 0.00 -1.54 0.00 0.00 39.78 38.48 3ksc n ASN 455 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3ksc s LEU 456 N -2.89 4.34 0.50 3.41 1.43 -0.93 -5.02 118.68 119.52 3ksc s LEU 456 Ca 0.15 1.87 -0.23 0.00 -1.03 0.00 0.00 54.13 54.90 3ksc s LEU 456 Cb 0.18 -4.00 -0.07 0.00 0.03 0.00 0.00 46.19 42.33 3ksc s LEU 456 CO 0.60 -0.09 1.18 -2.65 0.23 0.00 0.00 176.35 175.62 3ksc n PRO 457 N 0.56 1.52 -0.14 1.29 -0.02 -1.26 -4.79 135.00 132.16 3ksc n PRO 457 Ca 0.02 0.56 -0.03 0.00 -2.02 0.00 0.00 63.50 62.02 3ksc n PRO 457 Cb 0.50 -2.33 0.04 0.00 -0.02 0.00 0.00 33.50 31.68 3ksc n PRO 457 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ksc h LEU 458 N 1.43 -0.29 -1.03 2.45 5.85 -1.92 -1.16 115.31 120.64 3ksc h LEU 458 Ca -0.48 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 3ksc h LEU 458 Cb 1.32 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.55 3ksc h LEU 458 CO 0.56 -0.10 0.33 -0.78 -0.34 0.00 0.00 178.44 178.11 3ksc h ASP 459 N 0.06 0.92 0.38 1.25 3.58 -1.97 -0.66 116.42 119.99 3ksc h ASP 459 Ca 0.23 -0.11 -0.15 0.00 0.42 0.00 0.00 57.03 57.42 3ksc h ASP 459 Cb 0.34 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 3ksc h ASP 459 CO -0.42 0.79 -0.62 1.62 -2.88 0.00 0.00 179.24 177.73 3ksc h VAL 460 N 1.01 1.40 -0.56 2.25 3.04 -1.75 0.10 116.25 121.73 3ksc h VAL 460 Ca 0.24 -2.03 0.06 0.00 -1.01 0.00 0.00 66.70 63.96 3ksc h VAL 460 Cb 0.13 2.04 -0.05 0.00 -2.01 0.00 0.00 31.29 31.39 3ksc h VAL 460 CO -0.03 0.60 0.28 0.58 -1.01 0.00 0.00 177.57 177.99 3ksc h VAL 461 N 0.17 0.93 -0.28 1.51 2.07 -0.50 0.13 116.25 120.27 3ksc h VAL 461 Ca -0.01 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 3ksc h VAL 461 Cb 1.13 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3ksc h VAL 461 CO 0.10 0.10 0.02 0.00 0.02 0.00 0.00 177.57 177.80 3ksc h ALA 462 N 1.32 0.38 -0.39 1.67 0.00 -0.58 -2.61 119.26 119.06 3ksc h ALA 462 Ca 0.26 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3ksc h ALA 462 Cb 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3ksc h ALA 462 CO -0.19 0.10 -0.05 0.00 0.00 0.00 0.00 179.25 179.11 3ksc h ALA 463 N 0.84 0.53 -0.15 0.00 0.00 -0.85 0.32 119.26 119.95 3ksc h ALA 463 Ca 0.08 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.75 3ksc h ALA 463 Cb 0.40 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 3ksc h ALA 463 CO 0.01 0.35 -0.23 1.15 0.00 0.00 0.00 179.25 180.54 3ksc h THR 464 N 0.53 0.44 -0.47 0.00 2.02 -0.64 -2.92 112.91 111.86 3ksc h THR 464 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 3ksc h THR 464 Cb 0.55 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3ksc h THR 464 CO 0.03 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.41 3ksc n PHE 465 N -5.36 0.62 -3.28 3.16 3.72 -0.99 -4.98 117.46 110.34 3ksc n PHE 465 Ca -0.02 -0.31 -0.08 0.00 -0.05 0.00 0.00 57.45 56.99 3ksc n PHE 465 Cb 0.28 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 3ksc n PHE 465 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3ksc n ASN 466 N 1.51 -6.91 -4.14 4.37 5.15 -0.52 -5.04 115.26 109.68 3ksc n ASN 466 Ca 0.21 -0.36 -0.15 0.00 -0.60 0.00 0.00 54.58 53.68 3ksc n ASN 466 Cb 0.61 -4.30 -0.11 0.00 -0.53 0.00 0.00 39.78 35.44 3ksc n ASN 466 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3ksc s LEU 467 N -4.39 2.34 0.49 1.20 1.43 -0.01 -5.04 118.68 114.69 3ksc s LEU 467 Ca 0.03 -0.70 -0.22 0.00 -1.03 0.00 0.00 54.13 52.21 3ksc s LEU 467 Cb -0.01 -0.31 -0.07 0.00 0.03 0.00 0.00 46.19 45.84 3ksc s LEU 467 CO 0.79 -0.21 1.19 -1.10 0.23 0.00 0.00 176.35 177.25 3ksc s GLN 468 N -2.25 3.56 0.28 1.70 -1.52 -1.26 -4.59 119.66 115.58 3ksc s GLN 468 Ca -0.00 1.81 -0.00 0.00 -1.95 0.00 0.00 55.36 55.21 3ksc s GLN 468 Cb -0.06 -2.29 0.66 0.00 -0.22 0.00 0.00 33.01 31.10 3ksc s GLN 468 CO 0.00 -0.73 1.61 0.00 -0.25 0.00 0.00 175.29 175.93 3ksc h ARG 469 N 1.75 0.10 -0.76 2.91 3.08 -1.94 0.21 114.38 119.73 3ksc h ARG 469 Ca -0.50 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.49 3ksc h ARG 469 Cb 1.26 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.26 3ksc h ARG 469 CO 0.59 0.07 0.24 -0.91 -1.07 0.00 0.00 179.97 178.89 3ksc h ASN 470 N 0.10 1.10 -0.19 7.04 2.35 -1.99 0.62 115.58 124.61 3ksc h ASN 470 Ca 0.53 -0.21 -0.06 0.00 -0.55 0.00 0.00 56.30 56.02 3ksc h ASN 470 Cb 1.06 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 39.13 3ksc h ASN 470 CO -0.76 1.01 -0.07 -0.33 -1.65 0.00 0.00 177.43 175.64 3ksc h GLU 471 N 1.12 0.52 -0.03 0.81 5.08 -1.39 -2.22 114.58 118.48 3ksc h GLU 471 Ca 0.24 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 58.33 3ksc h GLU 471 Cb 0.30 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3ksc h GLU 471 CO -0.01 0.60 -0.64 0.00 -1.00 0.00 0.00 179.01 177.96 3ksc h ALA 472 N 1.44 0.87 -0.03 3.43 0.00 -0.50 -0.94 119.26 123.53 3ksc h ALA 472 Ca 0.10 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 3ksc h ALA 472 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3ksc h ALA 472 CO 0.02 0.78 -0.28 0.00 0.00 0.00 0.00 179.25 179.76 3ksc h ARG 473 N 0.08 0.05 0.15 0.00 3.08 -0.37 -1.54 114.38 115.85 3ksc h ARG 473 Ca -0.01 -0.02 -0.29 0.00 0.07 0.00 0.00 59.98 59.73 3ksc h ARG 473 Cb 1.15 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 31.21 3ksc h ARG 473 CO 0.09 0.34 -1.28 1.96 -1.07 0.00 0.00 179.97 180.01 3ksc h GLN 474 N 0.05 0.42 -0.46 0.04 4.20 -1.02 -1.47 115.11 116.88 3ksc h GLN 474 Ca 0.01 -0.66 0.05 0.00 0.06 0.00 0.00 58.65 58.11 3ksc h GLN 474 Cb 0.53 0.24 -0.03 0.00 0.30 0.00 0.00 27.48 28.52 3ksc h GLN 474 CO 0.04 1.30 0.31 1.25 -0.67 0.00 0.00 178.83 181.06 3ksc h LEU 475 N 0.15 0.37 -0.00 1.46 5.85 -0.88 -1.40 115.31 120.85 3ksc h LEU 475 Ca -0.17 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.48 3ksc h LEU 475 Cb 1.98 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 42.94 3ksc h LEU 475 CO 0.23 0.24 -0.26 0.11 -0.34 0.00 0.00 178.44 178.42 3ksc h LYS 476 N 0.42 0.18 0.00 1.25 1.57 -1.15 -3.43 116.57 115.41 3ksc h LYS 476 Ca 0.20 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3ksc h LYS 476 Cb 0.26 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3ksc h LYS 476 CO -0.05 0.93 -0.65 0.43 -0.57 0.00 0.00 179.45 179.54 3ksc n SER 477 N -4.50 1.43 0.29 0.86 7.64 -0.57 -4.59 113.62 114.18 3ksc n SER 477 Ca -0.10 -0.42 0.18 0.00 1.01 0.00 0.00 58.87 59.55 3ksc n SER 477 Cb 0.51 1.10 0.98 0.00 -1.01 0.00 0.00 64.21 65.79 3ksc n SER 477 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 3ksc h ASN 478 N 0.00 0.00 -3.62 6.43 4.21 -1.47 -3.38 115.58 117.75 3ksc h ASN 478 Ca 0.00 0.00 -0.65 0.00 1.21 0.00 0.00 56.30 56.86 3ksc h ASN 478 Cb 0.20 0.00 -0.23 0.00 -1.12 0.00 0.00 38.32 37.17 3ksc h ASN 478 CO 0.00 0.00 -0.63 0.21 -1.29 0.00 0.00 177.43 175.72 3ksc s ASN 479 N -5.45 5.10 0.29 5.81 3.84 -1.26 -4.97 114.94 118.29 3ksc s ASN 479 Ca -0.05 -0.21 0.24 0.00 0.21 0.00 0.00 52.86 53.05 3ksc s ASN 479 Cb 0.13 -1.91 0.41 0.00 -0.55 0.00 0.00 41.25 39.33 3ksc s ASN 479 CO 0.46 -0.03 1.51 -0.65 -2.79 0.00 0.00 177.10 175.60 3ksc h PRO 480 N 8.19 0.00 -6.28 0.43 0.11 -1.95 -3.38 132.00 129.12 3ksc h PRO 480 Ca -0.38 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.16 3ksc h PRO 480 Cb 1.17 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 3ksc h PRO 480 CO 0.58 0.00 -0.21 -0.06 -0.21 0.00 0.00 178.00 178.11 3ksc s PHE 481 N -3.20 3.48 -0.11 0.65 0.08 -1.26 -4.75 117.98 112.87 3ksc s PHE 481 Ca 0.07 0.76 -0.05 0.00 0.12 0.00 0.00 56.93 57.82 3ksc s PHE 481 Cb 0.09 -2.16 -0.04 0.00 -0.57 0.00 0.00 43.02 40.34 3ksc s PHE 481 CO 0.68 0.38 0.10 -0.22 -0.10 0.00 0.00 175.22 176.06 3ksc h LYS 482 N 2.89 0.00 0.00 0.44 3.64 -1.92 0.27 116.57 121.89 3ksc h LYS 482 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3ksc h LYS 482 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3ksc h LYS 482 CO 0.70 0.16 -0.86 0.34 -2.27 0.00 0.00 179.45 177.52 3ksc n PHE 483 N -4.73 0.00 -3.43 1.91 7.35 -1.26 -3.79 117.46 113.50 3ksc n PHE 483 Ca -0.03 0.00 -0.38 0.00 -0.76 0.00 0.00 57.45 56.29 3ksc n PHE 483 Cb 0.11 0.03 -0.06 0.00 0.35 0.00 0.00 39.48 39.91 3ksc n PHE 483 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3ksc s LEU 484 N -5.23 4.36 -0.23 -2.13 2.01 -1.26 -0.83 118.68 115.37 3ksc s LEU 484 Ca 0.00 0.83 0.02 0.00 0.01 0.00 0.00 54.13 54.99 3ksc s LEU 484 Cb 0.00 -2.60 0.05 0.00 0.01 0.00 0.00 46.19 43.65 3ksc s LEU 484 CO 0.00 0.16 -0.14 0.54 1.01 0.00 0.00 176.35 177.92 3ksc s VAL 485 N -0.15 2.08 1.06 -1.59 0.11 0.10 -4.80 120.40 117.21 3ksc s VAL 485 Ca 0.23 -1.37 -0.12 0.00 -2.93 0.00 0.00 61.98 57.79 3ksc s VAL 485 Cb -0.15 -2.10 0.22 0.00 -1.53 0.00 0.00 36.38 32.82 3ksc s VAL 485 CO 0.11 0.15 1.07 -2.84 -3.33 0.00 0.00 175.10 170.26 3ksc s PRO 486 N 1.19 -0.07 0.14 1.54 0.02 -1.26 -1.47 135.00 135.09 3ksc s PRO 486 Ca -0.04 0.74 -0.31 0.00 0.02 0.00 0.00 61.00 61.41 3ksc s PRO 486 Cb -0.18 -1.66 -0.08 0.00 0.02 0.00 0.00 34.50 32.60 3ksc s PRO 486 CO -0.08 -3.12 1.32 0.00 -0.33 0.00 0.00 177.00 174.79 3ksc s ALA 487 N -2.73 3.53 -0.07 -1.55 0.00 -1.25 -4.79 121.76 114.91 3ksc s ALA 487 Ca 0.67 1.06 0.14 0.00 0.00 0.00 0.00 51.96 53.82 3ksc s ALA 487 Cb -0.21 -3.49 -0.21 0.00 0.00 0.00 0.00 23.12 19.20 3ksc s ALA 487 CO 0.61 -0.54 0.68 2.89 0.00 0.00 0.00 175.76 179.40 3ksc n ARG 488 N 3.38 0.63 -0.28 0.00 0.00 -1.26 -5.04 116.66 114.09 3ksc n ARG 488 Ca 0.09 0.27 0.00 0.00 -0.00 0.00 0.00 57.85 58.21 3ksc n ARG 488 Cb 0.43 -1.79 0.00 0.00 -0.00 0.00 0.00 32.46 31.10 3ksc n ARG 488 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02