#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 3.05 0.02 2.61 3.02 -1.26 -4.83 115.26 117.87 3ksc n ASN 8 Ca 0.00 -2.95 0.01 0.00 -0.03 0.00 0.00 54.58 51.62 3ksc n ASN 8 Cb 0.00 -0.45 0.08 0.00 -0.61 0.00 0.00 39.78 38.80 3ksc n ASN 8 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ksc n GLU 9 N -0.51 0.02 -0.00 3.52 4.71 -1.26 -1.63 120.64 125.49 3ksc n GLU 9 Ca 0.24 0.51 0.03 0.00 -0.01 0.00 0.00 57.16 57.93 3ksc n GLU 9 Cb 0.83 -1.57 0.03 0.00 -1.01 0.00 0.00 31.44 29.72 3ksc n GLU 9 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ksc n GLN 11 N 0.33 2.14 -3.44 0.00 6.02 -0.64 -4.92 117.38 116.88 3ksc n GLN 11 Ca 0.04 -2.39 -0.38 0.00 -0.01 0.00 0.00 57.00 54.25 3ksc n GLN 11 Cb 0.16 -3.26 -0.09 0.00 1.02 0.00 0.00 30.24 28.07 3ksc n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3ksc s LEU 12 N 3.83 4.07 -0.02 1.08 1.43 -1.26 -4.92 118.68 122.88 3ksc s LEU 12 Ca 0.56 0.29 0.21 0.00 -1.03 0.00 0.00 54.13 54.17 3ksc s LEU 12 Cb 0.10 -2.38 -0.30 0.00 0.03 0.00 0.00 46.19 43.64 3ksc s LEU 12 CO 0.06 -0.12 0.59 -0.62 0.23 0.00 0.00 176.35 176.49 3ksc n GLU 13 N 4.99 0.49 -4.05 1.70 -0.58 -1.26 -4.93 120.64 117.00 3ksc n GLU 13 Ca -0.10 -0.14 -0.13 0.00 -0.42 0.00 0.00 57.16 56.37 3ksc n GLU 13 Cb 0.51 -1.51 -0.13 0.00 -0.57 0.00 0.00 31.44 29.74 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 -3.35 0.34 0.03 3.49 3.52 -1.26 -4.44 118.95 117.28 3ksc s ARG 14 Ca -0.03 -0.32 0.07 0.00 -0.13 0.00 0.00 55.73 55.31 3ksc s ARG 14 Cb 0.14 -0.23 -0.02 0.00 -1.56 0.00 0.00 34.95 33.29 3ksc s ARG 14 CO 0.89 0.05 -0.20 -0.51 -0.81 0.00 0.00 175.30 174.72 3ksc s LEU 15 N -0.59 2.14 -0.07 -0.88 1.43 0.10 -4.98 118.68 115.83 3ksc s LEU 15 Ca -0.03 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.63 3ksc s LEU 15 Cb -0.04 -0.93 -0.02 0.00 0.03 0.00 0.00 46.19 45.23 3ksc s LEU 15 CO -0.00 0.16 -0.18 -1.81 0.23 0.00 0.00 176.35 174.75 3ksc s ASP 16 N -1.01 3.67 -0.39 2.29 1.11 -1.26 -4.69 116.67 116.39 3ksc s ASP 16 Ca 0.07 -0.34 -0.28 0.00 0.18 0.00 0.00 52.55 52.17 3ksc s ASP 16 Cb -0.08 -1.02 0.02 0.00 1.07 0.00 0.00 42.92 42.91 3ksc s ASP 16 CO 0.01 0.27 1.05 0.00 1.18 0.00 0.00 175.17 177.68 3ksc s ALA 17 N -0.26 3.34 -0.07 5.23 0.00 -1.26 -4.66 121.76 124.08 3ksc s ALA 17 Ca 0.01 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.66 3ksc s ALA 17 Cb -0.13 -3.71 -0.02 0.00 0.00 0.00 0.00 23.12 19.26 3ksc s ALA 17 CO 0.03 -1.81 -0.16 -0.51 0.00 0.00 0.00 175.76 173.31 3ksc s LEU 18 N 3.89 2.60 0.71 0.00 1.43 -0.57 -4.86 118.68 121.88 3ksc s LEU 18 Ca 0.44 -0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 3ksc s LEU 18 Cb -0.10 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.60 3ksc s LEU 18 CO 0.22 0.28 1.07 -1.61 0.23 0.00 0.00 176.35 176.54 3ksc s GLU 19 N -0.33 2.80 0.62 1.70 2.02 -1.26 -0.36 118.70 123.89 3ksc s GLU 19 Ca 0.03 0.95 -0.18 0.00 0.02 0.00 0.00 54.97 55.79 3ksc s GLU 19 Cb -0.13 -1.97 -0.06 0.00 0.10 0.00 0.00 34.13 32.07 3ksc s GLU 19 CO 0.02 -1.19 0.76 -2.30 0.02 0.00 0.00 175.26 172.57 3ksc n PRO 20 N -3.19 0.64 0.06 0.39 -0.02 -1.26 -4.89 135.00 126.72 3ksc n PRO 20 Ca 0.08 0.26 -0.15 0.00 -2.02 0.00 0.00 63.50 61.66 3ksc n PRO 20 Cb 0.54 -1.97 -0.14 0.00 -0.02 0.00 0.00 33.50 31.91 3ksc n PRO 20 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ksc h ASP 21 N 0.21 0.31 -4.38 2.55 3.45 -0.33 -3.48 116.42 114.75 3ksc h ASP 21 Ca -0.47 -0.43 -0.20 0.00 0.43 0.00 0.00 57.03 56.36 3ksc h ASP 21 Cb 1.37 -0.10 -0.24 0.00 -0.56 0.00 0.00 39.33 39.80 3ksc h ASP 21 CO 0.48 1.36 -0.70 0.20 -1.57 0.00 0.00 179.24 179.01 3ksc s ASN 22 N -6.87 0.12 -0.08 6.45 0.01 -0.75 -5.01 114.94 108.80 3ksc s ASN 22 Ca -0.07 -0.24 0.01 0.00 -0.71 0.00 0.00 52.86 51.84 3ksc s ASN 22 Cb 0.07 0.06 -0.02 0.00 0.41 0.00 0.00 41.25 41.77 3ksc s ASN 22 CO 0.85 -0.16 -0.11 -0.13 -1.51 0.00 0.00 177.10 176.04 3ksc s ARG 23 N -0.76 2.90 -0.23 -0.60 0.52 -1.26 -1.29 118.95 118.23 3ksc s ARG 23 Ca -0.08 -0.63 0.02 0.00 -0.52 0.00 0.00 55.73 54.51 3ksc s ARG 23 Cb -0.05 -2.56 0.05 0.00 0.52 0.00 0.00 34.95 32.91 3ksc s ARG 23 CO -0.00 0.50 -0.10 0.42 0.02 0.00 0.00 175.30 176.14 3ksc s ILE 24 N -0.40 1.87 0.04 1.52 1.01 0.49 -4.98 121.20 120.74 3ksc s ILE 24 Ca 0.05 -1.31 -0.24 0.00 0.00 0.00 0.00 60.65 59.15 3ksc s ILE 24 Cb -0.12 -1.98 -0.06 0.00 0.01 0.00 0.00 42.46 40.31 3ksc s ILE 24 CO 0.02 0.05 0.72 -1.61 0.00 0.00 0.00 174.94 174.12 3ksc s GLU 25 N 1.27 4.45 0.41 2.79 2.02 -1.26 -0.71 118.70 127.66 3ksc s GLU 25 Ca -0.05 0.97 0.05 0.00 0.02 0.00 0.00 54.97 55.97 3ksc s GLU 25 Cb -0.18 -3.35 -0.06 0.00 0.10 0.00 0.00 34.13 30.63 3ksc s GLU 25 CO -0.07 0.32 0.02 -1.54 0.02 0.00 0.00 175.26 174.02 3ksc s SER 26 N -0.14 3.55 0.29 -0.19 1.04 -0.55 -4.82 113.70 112.88 3ksc s SER 26 Ca 0.36 -1.43 0.03 0.00 0.48 0.00 0.00 55.95 55.39 3ksc s SER 26 Cb -0.20 -0.15 0.69 0.00 0.10 0.00 0.00 66.02 66.46 3ksc s SER 26 CO 0.21 -0.57 1.71 -0.08 0.98 0.00 0.00 173.24 175.50 3ksc h GLU 27 N 1.78 0.42 -0.16 4.02 4.81 0.29 -2.84 114.58 122.91 3ksc h GLU 27 Ca -0.43 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3ksc h GLU 27 Cb 1.25 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3ksc h GLU 27 CO 0.77 0.28 0.00 0.41 -0.73 0.00 0.00 179.01 179.73 3ksc n GLY 28 N -1.33 0.96 0.00 1.92 0.00 0.17 -4.67 105.19 102.23 3ksc n GLY 28 Ca 0.21 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.64 0.92 3.57 -0.02 0.00 -1.07 -1.07 105.19 108.16 3ksc n GLY 29 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.68 -0.19 0.99 2.96 -0.67 -1.48 118.68 119.61 3ksc s LEU 30 Ca 0.00 1.37 -0.01 0.00 -0.22 0.00 0.00 54.13 55.28 3ksc s LEU 30 Cb 0.00 2.23 0.01 0.00 0.50 0.00 0.00 46.19 48.93 3ksc s LEU 30 CO 0.00 -0.23 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.03 3ksc s ILE 31 N 1.06 2.56 -0.16 6.68 1.01 0.11 -0.01 121.20 132.44 3ksc s ILE 31 Ca -0.06 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 3ksc s ILE 31 Cb -0.05 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 3ksc s ILE 31 CO -0.10 0.50 -0.00 -1.61 0.00 0.00 0.00 174.94 173.72 3ksc s GLU 32 N 1.33 3.78 0.06 2.79 2.02 0.15 -0.38 118.70 128.45 3ksc s GLU 32 Ca 0.05 -0.46 0.09 0.00 0.02 0.00 0.00 54.97 54.66 3ksc s GLU 32 Cb -0.14 -3.02 -0.03 0.00 0.10 0.00 0.00 34.13 31.04 3ksc s GLU 32 CO -0.09 0.25 -0.22 0.95 0.02 0.00 0.00 175.26 176.17 3ksc s THR 33 N 0.37 2.51 0.11 3.63 -4.23 -0.41 0.19 115.64 117.80 3ksc s THR 33 Ca -0.02 -1.36 -0.11 0.00 -1.18 0.00 0.00 61.69 59.01 3ksc s THR 33 Cb -0.14 -2.05 -0.06 0.00 1.34 0.00 0.00 72.50 71.59 3ksc s THR 33 CO 0.02 0.29 0.46 0.26 -0.54 0.00 0.00 174.62 175.11 3ksc s TRP 34 N -0.92 3.59 -0.25 3.99 0.51 -0.33 0.45 118.94 125.97 3ksc s TRP 34 Ca 0.14 0.89 -0.29 0.00 -2.12 0.00 0.00 56.10 54.72 3ksc s TRP 34 Cb -0.10 -2.24 -0.02 0.00 -0.81 0.00 0.00 33.47 30.30 3ksc s TRP 34 CO 0.05 0.48 1.53 1.21 -0.51 0.00 0.00 176.95 179.71 3ksc s ASN 35 N -1.77 6.44 0.00 2.95 3.84 -1.26 -4.58 114.94 120.57 3ksc s ASN 35 Ca 0.35 1.48 0.15 0.00 0.21 0.00 0.00 52.86 55.06 3ksc s ASN 35 Cb -0.14 -2.53 0.69 0.00 -0.55 0.00 0.00 41.25 38.72 3ksc s ASN 35 CO 0.19 -1.23 1.47 -0.81 -2.79 0.00 0.00 177.10 173.93 3ksc n PRO 36 N 7.60 0.08 0.00 0.43 -0.04 -1.26 -2.23 135.00 139.57 3ksc n PRO 36 Ca 0.18 0.21 0.14 0.00 -0.04 0.00 0.00 63.50 63.98 3ksc n PRO 36 Cb 0.46 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 33.01 3ksc n PRO 36 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ksc n ASN 37 N -1.43 0.96 -4.67 3.54 5.03 -1.26 -3.87 115.26 113.57 3ksc n ASN 37 Ca 0.05 -1.14 -0.42 0.00 0.87 0.00 0.00 54.58 53.94 3ksc n ASN 37 Cb 0.16 0.01 -0.03 0.00 -1.02 0.00 0.00 39.78 38.90 3ksc n ASN 37 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3ksc s ASN 38 N -2.17 6.59 0.19 6.41 0.02 -0.95 -4.83 114.94 120.20 3ksc s ASN 38 Ca 0.36 2.43 -0.08 0.00 -1.02 0.00 0.00 52.86 54.54 3ksc s ASN 38 Cb 0.21 -2.54 0.27 0.00 0.02 0.00 0.00 41.25 39.21 3ksc s ASN 38 CO 0.40 -0.95 1.13 1.17 0.02 0.00 0.00 177.10 178.86 3ksc n LYS 39 N 6.85 -0.10 -0.35 -0.60 4.81 -1.26 0.54 118.16 128.04 3ksc n LYS 39 Ca 0.18 1.12 0.07 0.00 -0.87 0.00 0.00 58.31 58.81 3ksc n LYS 39 Cb 0.42 -1.67 0.15 0.00 0.02 0.00 0.00 35.03 33.94 3ksc n LYS 39 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 3ksc n GLN 40 N -5.14 -0.09 0.04 1.64 7.27 -1.26 0.05 117.38 119.89 3ksc n GLN 40 Ca 0.10 1.53 -0.11 0.00 0.07 0.00 0.00 57.00 58.58 3ksc n GLN 40 Cb 0.34 -2.29 -0.13 0.00 2.41 0.00 0.00 30.24 30.56 3ksc n GLN 40 CO 0.00 0.00 0.00 0.74 0.07 0.00 0.00 177.06 177.87 3ksc h PHE 41 N 0.00 0.19 -0.87 3.69 0.04 -0.20 -2.73 116.94 117.05 3ksc h PHE 41 Ca 0.48 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 61.10 3ksc h PHE 41 Cb 0.76 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.86 3ksc h PHE 41 CO -0.73 1.15 0.49 0.00 -0.60 0.00 0.00 178.31 178.62 3ksc h ARG 42 N 0.03 1.20 0.30 1.51 3.08 -0.34 0.23 114.38 120.38 3ksc h ARG 42 Ca -0.17 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 3ksc h ARG 42 Cb 1.93 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.74 3ksc h ARG 42 CO 0.13 0.87 -0.14 0.00 -1.07 0.00 0.00 179.97 179.75 3ksc h ALA 44 N 0.23 1.52 -0.44 0.00 0.00 -1.24 -3.47 119.26 115.86 3ksc h ALA 44 Ca -0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3ksc h ALA 44 Cb 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3ksc h ALA 44 CO 0.07 0.15 -0.03 0.41 0.00 0.00 0.00 179.25 179.85 3ksc n GLY 45 N -0.95 0.46 3.14 0.00 0.00 0.74 -4.86 105.19 103.72 3ksc n GLY 45 Ca -0.02 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.29 0.14 0.14 1.61 -7.23 -0.85 -0.96 120.40 110.96 3ksc s VAL 46 Ca 0.01 -1.90 0.11 0.00 -1.81 0.00 0.00 61.98 58.39 3ksc s VAL 46 Cb -0.00 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.93 3ksc s VAL 46 CO 0.01 -0.55 -0.26 0.00 -0.31 0.00 0.00 175.10 173.99 3ksc s ALA 47 N -4.01 2.39 -0.07 1.32 0.00 -0.18 -4.56 121.76 116.65 3ksc s ALA 47 Ca 0.21 -1.50 0.03 0.00 0.00 0.00 0.00 51.96 50.71 3ksc s ALA 47 Cb 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.83 3ksc s ALA 47 CO 0.00 0.51 -0.17 -1.17 0.00 0.00 0.00 175.76 174.93 3ksc s LEU 48 N -2.17 1.86 0.13 0.00 0.20 -1.26 -1.29 118.68 116.15 3ksc s LEU 48 Ca 0.15 -0.39 -0.02 0.00 0.69 0.00 0.00 54.13 54.56 3ksc s LEU 48 Cb -0.10 -1.05 -0.04 0.00 -0.43 0.00 0.00 46.19 44.58 3ksc s LEU 48 CO 0.07 0.11 0.08 -0.94 -0.29 0.00 0.00 176.35 175.37 3ksc s SER 49 N 0.36 0.29 -0.09 3.68 1.04 -0.65 -1.19 113.70 117.14 3ksc s SER 49 Ca -0.12 -1.17 -0.03 0.00 0.48 0.00 0.00 55.95 55.11 3ksc s SER 49 Cb -0.15 0.31 0.04 0.00 0.10 0.00 0.00 66.02 66.32 3ksc s SER 49 CO 0.05 -0.74 0.10 -0.60 0.98 0.00 0.00 173.24 173.03 3ksc s ARG 50 N -4.04 -0.01 -0.13 4.02 3.52 0.13 0.16 118.95 122.61 3ksc s ARG 50 Ca 0.23 0.33 -0.05 0.00 -0.13 0.00 0.00 55.73 56.11 3ksc s ARG 50 Cb 0.07 -0.74 -0.04 0.00 -1.56 0.00 0.00 34.95 32.69 3ksc s ARG 50 CO 0.01 -0.41 0.04 0.00 -0.81 0.00 0.00 175.30 174.14 3ksc s ALA 51 N 2.21 3.42 -0.17 6.12 0.00 0.02 0.31 121.76 133.65 3ksc s ALA 51 Ca 0.04 -0.76 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 3ksc s ALA 51 Cb -0.13 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.28 3ksc s ALA 51 CO -0.05 0.44 -0.15 0.99 0.00 0.00 0.00 175.76 176.99 3ksc s THR 52 N -0.44 2.57 -0.26 0.00 2.01 0.99 -1.30 115.64 119.20 3ksc s THR 52 Ca 0.09 -0.78 -0.06 0.00 0.31 0.00 0.00 61.69 61.25 3ksc s THR 52 Cb -0.12 -2.10 -0.01 0.00 0.01 0.00 0.00 72.50 70.28 3ksc s THR 52 CO 0.02 0.51 0.04 -0.76 -0.69 0.00 0.00 174.62 173.74 3ksc s LEU 53 N 1.10 3.48 1.04 4.42 1.43 0.12 -1.67 118.68 128.61 3ksc s LEU 53 Ca 0.00 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.46 3ksc s LEU 53 Cb -0.14 -1.85 0.21 0.00 0.03 0.00 0.00 46.19 44.43 3ksc s LEU 53 CO -0.05 -0.10 1.13 -1.10 0.23 0.00 0.00 176.35 176.45 3ksc s GLN 54 N 1.52 0.06 0.09 1.70 -1.52 -0.23 -0.34 119.66 120.95 3ksc s GLN 54 Ca 0.04 0.19 -0.36 0.00 -1.95 0.00 0.00 55.36 53.28 3ksc s GLN 54 Cb -0.16 -1.72 -0.16 0.00 -0.22 0.00 0.00 33.01 30.75 3ksc s GLN 54 CO 0.01 -2.91 1.43 -2.13 -0.25 0.00 0.00 175.29 171.44 3ksc n ARG 55 N -4.24 1.44 -2.72 2.91 0.63 -1.26 -1.19 116.66 112.23 3ksc n ARG 55 Ca 0.09 0.52 -0.20 0.00 -0.92 0.00 0.00 57.85 57.34 3ksc n ARG 55 Cb 0.59 -2.20 0.01 0.00 0.45 0.00 0.00 32.46 31.30 3ksc n ARG 55 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3ksc n ASN 56 N 2.92 -5.32 -4.90 6.15 5.03 0.01 -4.86 115.26 114.30 3ksc n ASN 56 Ca 0.18 -0.10 -0.32 0.00 0.87 0.00 0.00 54.58 55.21 3ksc n ASN 56 Cb 0.22 -4.39 -0.05 0.00 -1.02 0.00 0.00 39.78 34.54 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 -2.99 3.86 -0.23 5.41 0.00 -0.34 -1.07 121.76 126.40 3ksc s ALA 57 Ca 0.14 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.51 3ksc s ALA 57 Cb -0.07 -2.05 0.05 0.00 0.00 0.00 0.00 23.12 21.05 3ksc s ALA 57 CO 0.18 0.70 -0.13 -1.17 0.00 0.00 0.00 175.76 175.34 3ksc s LEU 58 N -2.32 2.98 -0.45 0.00 0.20 0.19 -1.54 118.68 117.73 3ksc s LEU 58 Ca 0.35 -1.16 -0.28 0.00 0.69 0.00 0.00 54.13 53.74 3ksc s LEU 58 Cb -0.13 -1.49 -0.01 0.00 -0.43 0.00 0.00 46.19 44.14 3ksc s LEU 58 CO 0.23 -0.14 1.64 -0.60 -0.29 0.00 0.00 176.35 177.18 3ksc s ARG 59 N 1.19 3.25 0.57 1.98 6.06 0.73 -0.88 118.95 131.84 3ksc s ARG 59 Ca -0.05 0.94 -0.18 0.00 -2.50 0.00 0.00 55.73 53.94 3ksc s ARG 59 Cb -0.18 -4.18 -0.04 0.00 0.06 0.00 0.00 34.95 30.61 3ksc s ARG 59 CO -0.07 -1.98 1.13 1.03 -2.50 0.00 0.00 175.30 172.91 3ksc s ARG 60 N 5.72 3.22 0.04 5.12 0.52 -0.66 -2.68 118.95 130.22 3ksc s ARG 60 Ca 0.67 1.56 -0.36 0.00 -0.52 0.00 0.00 55.73 57.08 3ksc s ARG 60 Cb -0.16 -1.99 -0.15 0.00 0.52 0.00 0.00 34.95 33.17 3ksc s ARG 60 CO 0.29 -0.95 1.57 -2.30 0.02 0.00 0.00 175.30 173.94 3ksc n PRO 61 N -1.58 1.71 -3.89 3.54 -0.02 -1.26 -4.82 135.00 128.69 3ksc n PRO 61 Ca 0.11 0.62 -0.09 0.00 -2.02 0.00 0.00 63.50 62.12 3ksc n PRO 61 Cb 0.51 -2.35 -0.08 0.00 -0.02 0.00 0.00 33.50 31.55 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 1.64 0.15 0.27 6.00 1.13 -1.05 -2.06 117.35 123.43 3ksc s TYR 62 Ca 0.85 -0.47 0.06 0.00 -1.41 0.00 0.00 57.07 56.10 3ksc s TYR 62 Cb -0.82 -0.09 -0.06 0.00 -1.10 0.00 0.00 41.96 39.90 3ksc s TYR 62 CO 0.46 -0.44 -0.06 1.52 -2.51 0.00 0.00 175.55 174.52 3ksc s TYR 63 N -3.04 1.89 0.10 -3.49 -0.85 0.08 -1.87 117.35 110.18 3ksc s TYR 63 Ca -0.01 -0.71 0.04 0.00 -0.52 0.00 0.00 57.07 55.87 3ksc s TYR 63 Cb 0.01 -1.06 -0.04 0.00 0.38 0.00 0.00 41.96 41.25 3ksc s TYR 63 CO -0.07 0.26 -0.11 0.45 -1.52 0.00 0.00 175.55 174.56 3ksc s SER 64 N -3.42 1.55 -0.01 -0.18 0.15 -1.26 -0.18 113.70 110.35 3ksc s SER 64 Ca 0.29 -0.80 0.03 0.00 0.70 0.00 0.00 55.95 56.17 3ksc s SER 64 Cb 0.03 -0.01 0.11 0.00 -1.71 0.00 0.00 66.02 64.44 3ksc s SER 64 CO 0.11 -0.23 0.96 -0.46 1.20 0.00 0.00 173.24 174.82 3ksc n ASN 65 N 0.59 0.94 -3.73 5.45 6.94 -1.25 -0.92 115.26 123.28 3ksc n ASN 65 Ca -0.16 -2.04 -0.10 0.00 -0.02 0.00 0.00 54.58 52.26 3ksc n ASN 65 Cb 0.57 -0.21 -0.06 0.00 -2.36 0.00 0.00 39.78 37.72 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 -1.67 -0.61 0.52 -2.53 0.00 -1.26 -3.93 121.76 112.28 3ksc s ALA 66 Ca 0.08 -0.31 -0.22 0.00 0.00 0.00 0.00 51.96 51.50 3ksc s ALA 66 Cb 0.05 0.61 -0.06 0.00 0.00 0.00 0.00 23.12 23.72 3ksc s ALA 66 CO 0.04 -0.59 1.34 -1.25 0.00 0.00 0.00 175.76 175.30 3ksc s PRO 67 N -3.83 3.32 0.00 0.00 0.04 -1.26 -4.40 135.00 128.87 3ksc s PRO 67 Ca 0.04 2.19 0.08 0.00 0.04 0.00 0.00 61.00 63.35 3ksc s PRO 67 Cb 0.03 -2.34 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 3ksc s PRO 67 CO -0.11 -1.04 -0.25 -0.65 0.04 0.00 0.00 177.00 174.99 3ksc s GLN 68 N -2.80 1.89 -0.17 4.56 -0.21 -0.30 -0.84 119.66 121.79 3ksc s GLN 68 Ca 0.69 -0.94 0.01 0.00 0.02 0.00 0.00 55.36 55.15 3ksc s GLN 68 Cb -0.39 -1.90 0.02 0.00 1.00 0.00 0.00 33.01 31.74 3ksc s GLN 68 CO 0.47 0.51 -0.21 -2.00 -2.12 0.00 0.00 175.29 171.94 3ksc s GLU 69 N -0.79 3.00 -0.13 2.91 2.12 -0.24 -1.03 118.70 124.55 3ksc s GLU 69 Ca 0.10 -0.84 0.02 0.00 0.36 0.00 0.00 54.97 54.61 3ksc s GLU 69 Cb -0.09 -2.53 -0.00 0.00 0.26 0.00 0.00 34.13 31.77 3ksc s GLU 69 CO 0.00 -0.14 -0.18 0.42 -0.54 0.00 0.00 175.26 174.82 3ksc s ILE 70 N 1.12 2.54 -0.22 -3.70 1.01 -0.11 -0.40 121.20 121.44 3ksc s ILE 70 Ca 0.01 -0.84 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 3ksc s ILE 70 Cb -0.14 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 3ksc s ILE 70 CO -0.09 0.54 0.06 0.12 0.00 0.00 0.00 174.94 175.56 3ksc s PHE 71 N 0.52 3.12 -0.75 3.97 5.36 0.68 -0.41 117.98 130.47 3ksc s PHE 71 Ca -0.12 -0.26 -0.26 0.00 -0.96 0.00 0.00 56.93 55.34 3ksc s PHE 71 Cb -0.16 -2.16 0.04 0.00 -0.34 0.00 0.00 43.02 40.40 3ksc s PHE 71 CO 0.05 -0.17 1.23 0.42 -1.46 0.00 0.00 175.22 175.28 3ksc s ILE 72 N 1.12 3.88 0.20 3.12 -1.09 -0.57 -1.01 121.20 126.85 3ksc s ILE 72 Ca 0.04 0.11 0.03 0.00 -2.23 0.00 0.00 60.65 58.60 3ksc s ILE 72 Cb -0.14 -4.88 -0.09 0.00 -1.58 0.00 0.00 42.46 35.77 3ksc s ILE 72 CO 0.03 -1.78 1.48 -0.61 -1.23 0.00 0.00 174.94 172.83 3ksc h GLN 73 N 9.89 0.25 -2.31 2.79 4.15 -0.81 0.28 115.11 129.34 3ksc h GLN 73 Ca -0.23 -0.20 -0.07 0.00 0.77 0.00 0.00 58.65 58.91 3ksc h GLN 73 Cb 1.05 0.04 -0.21 0.00 0.21 0.00 0.00 27.48 28.57 3ksc h GLN 73 CO 1.27 0.86 0.01 -1.14 -1.93 0.00 0.00 178.83 177.90 3ksc s GLN 74 N -3.55 0.80 0.00 1.69 0.74 -0.97 -4.75 119.66 113.62 3ksc s GLN 74 Ca -0.04 0.52 0.00 0.00 0.05 0.00 0.00 55.36 55.89 3ksc s GLN 74 Cb 0.11 0.38 0.00 0.00 1.10 0.00 0.00 33.01 34.60 3ksc s GLN 74 CO 0.81 -0.17 0.00 0.41 -0.55 0.00 0.00 175.29 175.79 3ksc n GLY 75 N 1.99 -0.50 3.24 2.59 0.00 -1.26 -0.95 105.19 110.31 3ksc n GLY 75 Ca -0.16 -1.72 -0.17 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.71 1.89 0.00 1.61 -0.87 -1.26 -2.96 114.94 110.65 3ksc s ASN 76 Ca 0.00 -0.85 0.00 0.00 -1.57 0.00 0.00 52.86 50.44 3ksc s ASN 76 Cb 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 41.25 41.18 3ksc s ASN 76 CO 0.00 -0.20 0.00 0.61 -2.57 0.00 0.00 177.10 174.94 3ksc n GLY 77 N 0.38 0.87 3.60 0.66 0.00 -0.97 -4.23 105.19 105.49 3ksc n GLY 77 Ca -0.14 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.12 2.60 0.13 1.61 2.02 -0.53 -0.59 117.35 120.47 3ksc s TYR 78 Ca 0.00 -0.25 -0.13 0.00 -0.37 0.00 0.00 57.07 56.33 3ksc s TYR 78 Cb 0.00 -1.16 0.01 0.00 -0.40 0.00 0.00 41.96 40.41 3ksc s TYR 78 CO 0.00 0.63 0.33 -0.59 -1.57 0.00 0.00 175.55 174.35 3ksc s PHE 79 N -2.29 0.04 -0.02 2.71 -0.71 0.25 -1.45 117.98 116.52 3ksc s PHE 79 Ca 0.30 -0.41 -0.12 0.00 -1.04 0.00 0.00 56.93 55.67 3ksc s PHE 79 Cb -0.06 0.12 0.02 0.00 -1.21 0.00 0.00 43.02 41.88 3ksc s PHE 79 CO 0.18 -0.69 0.24 0.20 -1.34 0.00 0.00 175.22 173.82 3ksc s GLY 80 N -2.87 -0.09 0.22 1.99 0.00 -0.89 -0.72 107.32 104.97 3ksc s GLY 80 Ca 0.08 0.21 0.10 0.00 0.00 0.00 0.00 44.72 45.10 3ksc s GLY 80 CO -0.08 0.04 -0.19 1.06 0.00 0.00 0.00 173.10 173.93 3ksc s MET 81 N -1.18 1.45 -0.26 2.90 -1.94 -1.26 -1.99 119.30 117.02 3ksc s MET 81 Ca -0.12 -1.59 0.03 0.00 -1.71 0.00 0.00 55.69 52.29 3ksc s MET 81 Cb -0.06 -1.49 0.06 0.00 2.01 0.00 0.00 34.83 35.36 3ksc s MET 81 CO 0.03 0.28 -0.11 0.08 -0.01 0.00 0.00 175.02 175.30 3ksc s VAL 82 N -2.40 2.19 -0.36 -6.03 1.01 -0.27 -4.78 120.40 109.77 3ksc s VAL 82 Ca 0.23 -1.64 -0.16 0.00 0.00 0.00 0.00 61.98 60.41 3ksc s VAL 82 Cb -0.04 -2.29 -0.00 0.00 0.00 0.00 0.00 36.38 34.04 3ksc s VAL 82 CO 0.10 -0.04 0.39 -0.36 0.00 0.00 0.00 175.10 175.19 3ksc s PHE 83 N 1.10 3.20 0.08 5.22 0.08 -1.26 -3.80 117.98 122.60 3ksc s PHE 83 Ca -0.09 -0.08 -0.37 0.00 0.12 0.00 0.00 56.93 56.52 3ksc s PHE 83 Cb -0.20 -2.74 -0.17 0.00 -0.57 0.00 0.00 43.02 39.34 3ksc s PHE 83 CO -0.05 -0.50 1.24 -0.35 -0.10 0.00 0.00 175.22 175.46 3ksc n PRO 84 N 5.46 0.88 -3.15 0.24 -0.04 -1.26 -2.91 135.00 134.22 3ksc n PRO 84 Ca -0.08 0.32 -0.10 0.00 -0.04 0.00 0.00 63.50 63.59 3ksc n PRO 84 Cb 0.49 -1.90 0.05 0.00 -0.04 0.00 0.00 33.50 32.10 3ksc n PRO 84 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ksc n GLY 85 N 2.22 -1.15 2.98 0.55 0.00 -1.26 -5.06 105.19 103.46 3ksc n GLY 85 Ca 0.18 0.53 -0.16 0.00 0.00 0.00 0.00 46.02 46.58 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 2.83 0.22 0.00 0.00 -0.02 -1.26 -5.03 135.00 131.73 3ksc n PRO 87 Ca -0.14 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3ksc n PRO 87 Cb 0.58 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 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 -1.13 3.64 -3.59 -0.52 1.02 -1.26 -4.87 120.64 113.93 3ksc n GLU 88 Ca 0.10 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.20 3ksc n GLU 88 Cb 0.50 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.91 3ksc n GLU 88 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3ksc s THR 89 N 1.56 0.00 0.00 2.62 -1.32 0.22 -4.92 115.64 113.79 3ksc s THR 89 Ca 0.00 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 3ksc s THR 89 Cb 0.00 -1.28 0.00 0.00 -1.51 0.00 0.00 72.50 69.71 3ksc s THR 89 CO 0.00 0.00 0.00 2.22 -2.21 0.00 0.00 174.62 174.63 3ksc n PHE 90 N -0.24 -0.10 -0.76 9.09 1.16 -1.26 -0.91 117.46 124.44 3ksc n PHE 90 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.54 3ksc n PHE 90 Cb 0.60 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.47 3ksc n PHE 90 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 3ksc n ASP 106 N -0.12 0.00 -3.97 5.98 4.64 -1.26 -5.06 116.55 116.77 3ksc n ASP 106 Ca 0.00 0.00 -0.26 0.00 -1.38 0.00 0.00 54.79 53.15 3ksc n ASP 106 Cb 0.00 -1.14 -0.17 0.00 -1.04 0.00 0.00 41.12 38.77 3ksc n ASP 106 CO 0.00 0.00 0.00 -0.60 -0.82 0.00 0.00 177.20 175.78 3ksc s ARG 107 N -2.47 1.70 0.27 -0.67 3.52 -1.26 -5.13 118.95 114.91 3ksc s ARG 107 Ca 0.00 -0.36 0.05 0.00 -0.13 0.00 0.00 55.73 55.30 3ksc s ARG 107 Cb 0.00 -1.59 -0.02 0.00 -1.56 0.00 0.00 34.95 31.78 3ksc s ARG 107 CO 0.00 -0.15 0.20 -2.39 -0.81 0.00 0.00 175.30 172.14 3ksc n HIS 108 N 4.50 -0.46 -2.41 5.12 1.44 -0.08 -4.92 115.22 118.41 3ksc n HIS 108 Ca -0.17 -2.14 -0.24 0.00 -2.01 0.00 0.00 57.72 53.16 3ksc n HIS 108 Cb 0.51 0.18 0.07 0.00 0.12 0.00 0.00 29.99 30.86 3ksc n HIS 108 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 3ksc s GLN 109 N -3.08 2.14 0.19 -1.40 -0.21 -1.26 -0.61 119.66 115.42 3ksc s GLN 109 Ca 0.28 -0.60 -0.31 0.00 0.02 0.00 0.00 55.36 54.75 3ksc s GLN 109 Cb 0.01 -2.29 -0.10 0.00 1.00 0.00 0.00 33.01 31.63 3ksc s GLN 109 CO 0.20 -1.16 1.50 0.21 -2.12 0.00 0.00 175.29 173.92 3ksc s LYS 110 N -5.10 4.24 -0.16 2.91 2.20 -1.26 -4.86 119.74 117.72 3ksc s LYS 110 Ca 0.61 2.31 -0.04 0.00 -0.36 0.00 0.00 55.97 58.49 3ksc s LYS 110 Cb -0.09 -3.14 -0.03 0.00 -1.51 0.00 0.00 37.83 33.05 3ksc s LYS 110 CO 0.43 -0.52 -0.01 0.14 -0.36 0.00 0.00 175.35 175.03 3ksc s VAL 111 N 0.68 4.10 0.32 4.02 -7.23 -1.26 -4.33 120.40 116.70 3ksc s VAL 111 Ca 0.65 -0.28 0.08 0.00 -1.81 0.00 0.00 61.98 60.62 3ksc s VAL 111 Cb -0.42 -2.81 -0.04 0.00 0.56 0.00 0.00 36.38 33.67 3ksc s VAL 111 CO 0.36 0.49 0.16 0.20 -0.31 0.00 0.00 175.10 176.00 3ksc s ASN 112 N 0.30 4.89 0.23 4.85 -0.87 0.10 -4.48 114.94 119.96 3ksc s ASN 112 Ca -0.02 -0.64 -0.16 0.00 -1.57 0.00 0.00 52.86 50.48 3ksc s ASN 112 Cb -0.14 -0.87 -0.08 0.00 -0.02 0.00 0.00 41.25 40.14 3ksc s ASN 112 CO 0.02 -0.24 0.66 -0.13 -2.57 0.00 0.00 177.10 174.84 3ksc s ARG 113 N -3.86 4.05 0.14 -0.60 0.52 -1.26 -0.58 118.95 117.36 3ksc s ARG 113 Ca 0.37 0.63 0.10 0.00 -0.52 0.00 0.00 55.73 56.31 3ksc s ARG 113 Cb -0.04 -2.74 -0.04 0.00 0.52 0.00 0.00 34.95 32.65 3ksc s ARG 113 CO 0.23 0.34 -0.23 -0.59 0.02 0.00 0.00 175.30 175.07 3ksc s PHE 114 N -1.67 2.05 0.27 -0.53 -0.12 0.24 -4.88 117.98 113.35 3ksc s PHE 114 Ca 0.45 -0.40 0.07 0.00 -0.05 0.00 0.00 56.93 57.00 3ksc s PHE 114 Cb -0.14 -1.09 -0.06 0.00 -0.63 0.00 0.00 43.02 41.11 3ksc s PHE 114 CO 0.20 0.32 -0.08 1.03 -0.05 0.00 0.00 175.22 176.63 3ksc s ARG 115 N -2.21 1.55 0.15 1.99 0.52 -1.26 -2.29 118.95 117.40 3ksc s ARG 115 Ca 0.13 -1.77 -0.34 0.00 -0.52 0.00 0.00 55.73 53.23 3ksc s ARG 115 Cb -0.09 -1.23 -0.15 0.00 0.52 0.00 0.00 34.95 34.00 3ksc s ARG 115 CO 0.06 0.08 1.42 0.39 0.02 0.00 0.00 175.30 177.28 3ksc n GLU 116 N -0.57 1.69 -0.06 3.54 1.02 -1.15 -1.58 120.64 123.53 3ksc n GLU 116 Ca -0.06 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 3ksc n GLU 116 Cb 0.63 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 3ksc n GLU 116 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ksc n GLY 117 N 2.75 0.47 3.77 0.62 0.00 0.97 -4.70 105.19 109.06 3ksc n GLY 117 Ca 0.16 0.00 -0.41 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 -2.59 6.93 -0.24 1.61 1.11 -0.61 -0.78 116.67 122.09 3ksc s ASP 118 Ca 0.00 2.56 -0.08 0.00 0.18 0.00 0.00 52.55 55.22 3ksc s ASP 118 Cb 0.00 -2.64 -0.03 0.00 1.07 0.00 0.00 42.92 41.32 3ksc s ASP 118 CO 0.00 -0.41 0.08 -0.63 1.18 0.00 0.00 175.17 175.38 3ksc s ILE 119 N -1.15 4.46 -0.19 0.77 -1.09 -0.03 -1.52 121.20 122.46 3ksc s ILE 119 Ca 0.47 -0.12 -0.03 0.00 -2.23 0.00 0.00 60.65 58.74 3ksc s ILE 119 Cb -0.37 -3.08 -0.02 0.00 -1.58 0.00 0.00 42.46 37.41 3ksc s ILE 119 CO 0.49 0.36 -0.05 -0.63 -1.23 0.00 0.00 174.94 173.88 3ksc s ILE 120 N 1.39 3.58 -0.29 2.92 1.01 0.45 -2.03 121.20 128.23 3ksc s ILE 120 Ca 0.05 -0.45 -0.13 0.00 0.00 0.00 0.00 60.65 60.13 3ksc s ILE 120 Cb -0.15 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 3ksc s ILE 120 CO 0.04 0.46 0.26 0.00 0.00 0.00 0.00 174.94 175.70 3ksc s ALA 121 N 0.93 3.53 -0.33 9.38 0.00 -0.42 -0.94 121.76 133.92 3ksc s ALA 121 Ca -0.00 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.89 3ksc s ALA 121 Cb -0.15 -2.60 0.07 0.00 0.00 0.00 0.00 23.12 20.45 3ksc s ALA 121 CO 0.01 -0.68 0.04 0.08 0.00 0.00 0.00 175.76 175.21 3ksc s VAL 122 N 1.86 2.85 0.82 0.00 1.01 -0.20 -4.91 120.40 121.83 3ksc s VAL 122 Ca 0.09 -1.72 -0.11 0.00 0.00 0.00 0.00 61.98 60.24 3ksc s VAL 122 Cb -0.16 -2.79 0.09 0.00 0.00 0.00 0.00 36.38 33.52 3ksc s VAL 122 CO 0.11 -0.31 1.12 -2.84 0.00 0.00 0.00 175.10 173.17 3ksc s PRO 123 N 1.15 1.83 0.14 2.72 0.02 -1.26 -1.15 135.00 138.45 3ksc s PRO 123 Ca -0.00 1.33 -0.35 0.00 0.02 0.00 0.00 61.00 62.00 3ksc s PRO 123 Cb -0.20 -1.84 -0.15 0.00 0.02 0.00 0.00 34.50 32.33 3ksc s PRO 123 CO -0.03 -1.99 1.50 2.41 -0.33 0.00 0.00 177.00 178.56 3ksc n THR 124 N -3.71 0.00 -0.07 0.99 -1.04 -1.26 -2.07 114.28 107.12 3ksc n THR 124 Ca 0.10 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 3ksc n THR 124 Cb 0.53 -1.30 0.00 0.00 -1.82 0.00 0.00 70.33 67.74 3ksc n THR 124 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ksc n GLY 125 N 3.11 2.46 3.69 3.41 0.00 -0.09 -4.98 105.19 112.79 3ksc n GLY 125 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.93 4.56 0.25 -0.61 -1.09 -0.88 -4.74 121.20 115.76 3ksc s ILE 126 Ca 0.00 1.84 -0.30 0.00 -2.23 0.00 0.00 60.65 59.96 3ksc s ILE 126 Cb 0.00 -4.18 -0.10 0.00 -1.58 0.00 0.00 42.46 36.59 3ksc s ILE 126 CO 0.00 0.04 1.47 -0.69 -1.23 0.00 0.00 174.94 174.53 3ksc s VAL 127 N 1.82 2.56 -0.01 2.92 1.01 -1.25 -4.53 120.40 122.92 3ksc s VAL 127 Ca 0.52 0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.98 3ksc s VAL 127 Cb -0.22 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.87 3ksc s VAL 127 CO 0.22 0.07 -0.02 0.12 0.00 0.00 0.00 175.10 175.49 3ksc s PHE 128 N 0.04 0.30 0.04 5.22 5.36 -0.78 -1.12 117.98 127.05 3ksc s PHE 128 Ca 0.60 -0.04 0.00 0.00 -0.96 0.00 0.00 56.93 56.53 3ksc s PHE 128 Cb -0.43 -0.25 -0.03 0.00 -0.34 0.00 0.00 43.02 41.97 3ksc s PHE 128 CO 0.43 -0.04 -0.04 1.67 -1.46 0.00 0.00 175.22 175.78 3ksc s TRP 129 N 0.22 0.47 0.02 10.12 1.48 -0.84 -2.53 118.94 127.88 3ksc s TRP 129 Ca -0.02 -0.70 0.03 0.00 -1.06 0.00 0.00 56.10 54.35 3ksc s TRP 129 Cb -0.05 -0.32 -0.02 0.00 -1.16 0.00 0.00 33.47 31.93 3ksc s TRP 129 CO -0.01 -0.21 -0.10 -1.64 -4.06 0.00 0.00 176.95 170.93 3ksc s MET 130 N -2.34 0.71 -0.05 3.25 -1.94 -1.09 -2.09 119.30 115.75 3ksc s MET 130 Ca -0.06 -0.54 0.02 0.00 -1.71 0.00 0.00 55.69 53.39 3ksc s MET 130 Cb -0.04 -0.66 0.02 0.00 2.01 0.00 0.00 34.83 36.16 3ksc s MET 130 CO -0.03 0.17 -0.08 -0.47 -0.01 0.00 0.00 175.02 174.59 3ksc s TYR 131 N -0.66 1.08 -0.57 -0.03 5.04 -0.53 -0.20 117.35 121.48 3ksc s TYR 131 Ca -0.00 -0.36 -0.21 0.00 -2.44 0.00 0.00 57.07 54.06 3ksc s TYR 131 Cb -0.06 -0.85 0.06 0.00 0.35 0.00 0.00 41.96 41.46 3ksc s TYR 131 CO 0.00 -0.23 0.81 1.21 -1.34 0.00 0.00 175.55 176.01 3ksc s ASN 132 N 0.78 6.23 0.00 4.32 2.47 -0.59 -1.46 114.94 126.69 3ksc s ASN 132 Ca -0.13 -0.88 0.20 0.00 0.42 0.00 0.00 52.86 52.47 3ksc s ASN 132 Cb -0.15 -2.36 0.62 0.00 -1.45 0.00 0.00 41.25 37.90 3ksc s ASN 132 CO 0.02 -1.16 1.47 -0.90 -3.72 0.00 0.00 177.10 172.81 3ksc n ASP 133 N 6.94 2.09 -1.24 -4.21 3.85 -1.26 -0.81 116.55 121.92 3ksc n ASP 133 Ca -0.04 -1.82 0.00 0.00 -0.71 0.00 0.00 54.79 52.22 3ksc n ASP 133 Cb 0.45 -0.16 0.00 0.00 -1.35 0.00 0.00 41.12 40.06 3ksc n ASP 133 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ksc n GLN 134 N 0.61 1.79 -0.11 0.11 6.02 -1.26 -4.84 117.38 119.70 3ksc n GLN 134 Ca 0.16 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.93 3ksc n GLN 134 Cb 0.38 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.54 3ksc n GLN 134 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3ksc n ASP 135 N -1.16 1.87 -4.68 1.08 9.92 -1.26 -3.83 116.55 118.48 3ksc n ASP 135 Ca 0.00 0.42 -0.45 0.00 -0.53 0.00 0.00 54.79 54.24 3ksc n ASP 135 Cb 0.00 -0.95 -0.04 0.00 -0.64 0.00 0.00 41.12 39.50 3ksc n ASP 135 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 3ksc n THR 136 N -4.42 0.05 -1.67 -3.53 -1.04 -1.26 -4.12 114.28 98.28 3ksc n THR 136 Ca -0.33 -0.01 -0.45 0.00 -2.04 0.00 0.00 64.05 61.22 3ksc n THR 136 Cb 0.68 -1.71 -0.03 0.00 -1.82 0.00 0.00 70.33 67.45 3ksc n THR 136 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3ksc n PRO 137 N 3.84 2.11 -2.70 -2.82 -0.02 -1.26 -4.70 135.00 129.45 3ksc n PRO 137 Ca 0.17 0.75 -0.40 0.00 -2.02 0.00 0.00 63.50 62.00 3ksc n PRO 137 Cb 0.31 -2.46 -0.05 0.00 -0.02 0.00 0.00 33.50 31.27 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 0.35 4.07 -0.16 -1.45 1.01 0.54 -4.10 120.40 120.66 3ksc s VAL 138 Ca 0.72 1.98 -0.00 0.00 0.00 0.00 0.00 61.98 64.68 3ksc s VAL 138 Cb -0.66 -4.26 0.04 0.00 0.00 0.00 0.00 36.38 31.50 3ksc s VAL 138 CO 0.45 0.43 -0.06 -0.63 0.00 0.00 0.00 175.10 175.29 3ksc s ILE 139 N -0.88 1.12 -0.14 2.22 1.01 -0.12 -0.70 121.20 123.72 3ksc s ILE 139 Ca 0.43 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.50 3ksc s ILE 139 Cb -0.26 -1.27 0.02 0.00 0.01 0.00 0.00 42.46 40.96 3ksc s ILE 139 CO 0.33 0.17 -0.14 0.00 0.00 0.00 0.00 174.94 175.30 3ksc s ALA 140 N 1.63 1.81 -0.17 9.38 0.00 -0.42 -0.06 121.76 133.94 3ksc s ALA 140 Ca 0.01 -0.86 -0.08 0.00 0.00 0.00 0.00 51.96 51.03 3ksc s ALA 140 Cb -0.15 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 3ksc s ALA 140 CO -0.08 -0.30 0.11 0.54 0.00 0.00 0.00 175.76 176.04 3ksc s VAL 141 N 1.35 5.25 -0.16 0.00 0.11 -0.18 -0.80 120.40 125.97 3ksc s VAL 141 Ca 0.02 0.13 -0.01 0.00 -2.93 0.00 0.00 61.98 59.18 3ksc s VAL 141 Cb -0.13 -3.36 -0.01 0.00 -1.53 0.00 0.00 36.38 31.35 3ksc s VAL 141 CO -0.08 0.50 -0.10 -0.44 -3.33 0.00 0.00 175.10 171.64 3ksc s SER 142 N -0.04 4.10 -0.30 3.54 0.01 0.12 -0.23 113.70 120.91 3ksc s SER 142 Ca 0.09 -0.35 -0.16 0.00 1.31 0.00 0.00 55.95 56.84 3ksc s SER 142 Cb -0.12 -1.65 -0.03 0.00 0.21 0.00 0.00 66.02 64.44 3ksc s SER 142 CO 0.00 0.10 0.41 -0.22 0.41 0.00 0.00 173.24 173.94 3ksc s LEU 143 N 0.72 4.17 -0.25 2.44 2.96 0.46 -1.64 118.68 127.55 3ksc s LEU 143 Ca -0.05 0.15 -0.09 0.00 -0.22 0.00 0.00 54.13 53.92 3ksc s LEU 143 Cb -0.15 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.04 3ksc s LEU 143 CO 0.02 -0.27 0.13 -0.89 -1.32 0.00 0.00 176.35 174.02 3ksc s THR 144 N 2.13 5.02 -0.93 3.68 2.01 -0.41 -1.08 115.64 126.07 3ksc s THR 144 Ca 0.15 0.07 -0.14 0.00 0.31 0.00 0.00 61.69 62.08 3ksc s THR 144 Cb -0.16 -3.35 0.22 0.00 0.01 0.00 0.00 72.50 69.22 3ksc s THR 144 CO 0.11 0.33 0.93 -0.62 -0.69 0.00 0.00 174.62 174.68 3ksc s ASP 145 N 1.31 6.88 0.29 3.53 2.15 -0.02 -1.01 116.67 129.80 3ksc s ASP 145 Ca 0.06 -2.81 0.05 0.00 0.43 0.00 0.00 52.55 50.29 3ksc s ASP 145 Cb -0.14 -2.25 0.43 0.00 -0.30 0.00 0.00 42.92 40.66 3ksc s ASP 145 CO 0.06 -0.59 1.69 0.40 -0.17 0.00 0.00 175.17 176.56 3ksc h ILE 146 N 4.69 1.30 0.00 4.11 2.04 -1.65 -2.73 117.51 125.28 3ksc h ILE 146 Ca 0.14 -1.49 0.00 0.00 1.00 0.00 0.00 64.86 64.51 3ksc h ILE 146 Cb 0.99 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 3ksc h ILE 146 CO 0.89 0.45 0.00 -2.11 0.00 0.00 0.00 178.15 177.38 3ksc n ARG 147 N -4.04 0.11 -1.38 2.37 1.85 -0.14 -4.79 116.66 110.63 3ksc n ARG 147 Ca -0.01 0.42 -0.37 0.00 -1.00 0.00 0.00 57.85 56.88 3ksc n ARG 147 Cb 0.47 -1.74 0.05 0.00 -1.05 0.00 0.00 32.46 30.20 3ksc n ARG 147 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3ksc n SER 148 N -1.94 -0.96 0.20 2.89 2.88 -1.03 -4.90 113.62 110.76 3ksc n SER 148 Ca 0.02 0.67 0.09 0.00 -1.33 0.00 0.00 58.87 58.32 3ksc n SER 148 Cb 0.16 -1.21 0.15 0.00 -0.75 0.00 0.00 64.21 62.55 3ksc n SER 148 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3ksc h SER 149 N -0.04 0.00 0.79 -3.46 0.02 -1.90 -3.00 113.55 105.95 3ksc h SER 149 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3ksc h SER 149 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 3ksc h SER 149 CO 0.45 0.15 0.00 0.59 -1.14 0.00 0.00 176.83 176.88 3ksc n ASN 150 N -3.14 0.00 -4.51 3.07 3.02 -1.26 -4.51 115.26 107.92 3ksc n ASN 150 Ca 0.03 0.49 -0.43 0.00 -0.03 0.00 0.00 54.58 54.64 3ksc n ASN 150 Cb 0.58 -0.50 -0.06 0.00 -0.61 0.00 0.00 39.78 39.19 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 -2.99 6.32 0.00 6.41 2.47 -1.14 -4.81 114.94 121.20 3ksc s ASN 151 Ca 0.11 -0.37 0.10 0.00 0.42 0.00 0.00 52.86 53.13 3ksc s ASN 151 Cb 0.15 -2.33 0.25 0.00 -1.45 0.00 0.00 41.25 37.87 3ksc s ASN 151 CO 0.42 -0.82 1.16 0.00 -3.72 0.00 0.00 177.10 174.14 3ksc n GLN 152 N 6.35 2.38 0.00 0.43 6.02 -1.26 -4.87 117.38 126.42 3ksc n GLN 152 Ca -0.02 -1.84 0.00 0.00 -0.01 0.00 0.00 57.00 55.13 3ksc n GLN 152 Cb 0.48 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.49 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 0.50 0.00 0.00 1.08 4.77 -1.26 -5.13 117.00 116.95 3ksc n LEU 153 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3ksc n LEU 153 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3ksc n LEU 153 CO 0.07 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.23 3ksc n ASP 154 N 0.00 1.99 0.00 -1.43 5.68 -1.26 -5.02 116.55 116.51 3ksc n ASP 154 Ca 0.00 -0.15 0.15 0.00 -0.50 0.00 0.00 54.79 54.29 3ksc n ASP 154 Cb 0.00 0.00 0.89 0.00 -1.14 0.00 0.00 41.12 40.87 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 0.00 0.93 -3.33 0.11 6.02 -1.26 -4.80 117.38 115.05 3ksc n GLN 155 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.61 3ksc n GLN 155 Cb 0.00 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.69 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 -2.01 4.25 0.26 -1.09 -1.94 -1.26 -4.99 119.30 112.52 3ksc s MET 156 Ca 0.45 0.35 -0.30 0.00 -1.71 0.00 0.00 55.69 54.47 3ksc s MET 156 Cb 0.21 -3.49 -0.11 0.00 2.01 0.00 0.00 34.83 33.45 3ksc s MET 156 CO 0.35 0.04 1.53 -2.14 -0.01 0.00 0.00 175.02 174.79 3ksc s PRO 157 N 1.04 4.19 0.05 2.03 0.02 -1.26 -5.02 135.00 136.05 3ksc s PRO 157 Ca 0.23 2.44 0.05 0.00 0.02 0.00 0.00 61.00 63.74 3ksc s PRO 157 Cb -0.15 -3.07 -0.03 0.00 0.02 0.00 0.00 34.50 31.27 3ksc s PRO 157 CO 0.09 -0.54 -0.15 1.03 -0.33 0.00 0.00 177.00 177.10 3ksc s ARG 158 N -0.24 0.92 -0.02 5.54 0.52 -1.26 -4.79 118.95 119.63 3ksc s ARG 158 Ca 0.63 -0.86 0.04 0.00 -0.52 0.00 0.00 55.73 55.01 3ksc s ARG 158 Cb -0.45 -0.95 -0.01 0.00 0.52 0.00 0.00 34.95 34.06 3ksc s ARG 158 CO 0.44 0.23 -0.13 1.03 0.02 0.00 0.00 175.30 176.89 3ksc s ARG 159 N -1.41 1.12 -0.24 3.54 0.52 -1.26 -3.91 118.95 117.31 3ksc s ARG 159 Ca 0.01 -0.46 -0.01 0.00 -0.52 0.00 0.00 55.73 54.75 3ksc s ARG 159 Cb -0.09 -1.06 0.03 0.00 0.52 0.00 0.00 34.95 34.35 3ksc s ARG 159 CO 0.02 0.25 -0.08 -0.06 0.02 0.00 0.00 175.30 175.45 3ksc s PHE 160 N -0.19 3.05 -0.18 -0.53 0.40 0.74 -4.80 117.98 116.48 3ksc s PHE 160 Ca 0.03 -1.64 -0.14 0.00 -0.60 0.00 0.00 56.93 54.59 3ksc s PHE 160 Cb -0.06 -2.03 -0.05 0.00 0.51 0.00 0.00 43.02 41.39 3ksc s PHE 160 CO -0.00 -0.75 0.29 0.71 0.70 0.00 0.00 175.22 176.16 3ksc s TYR 161 N 1.30 3.43 0.38 0.36 2.02 -1.26 -0.74 117.35 122.84 3ksc s TYR 161 Ca -0.00 0.55 0.19 0.00 -0.37 0.00 0.00 57.07 57.44 3ksc s TYR 161 Cb -0.16 -2.35 1.06 0.00 -0.40 0.00 0.00 41.96 40.11 3ksc s TYR 161 CO -0.06 0.19 1.95 -0.07 -1.57 0.00 0.00 175.55 175.99 3ksc h LEU 162 N 6.89 0.00 -8.79 -1.29 3.38 -1.78 -2.46 115.31 111.26 3ksc h LEU 162 Ca -0.40 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.21 3ksc h LEU 162 Cb 1.16 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.77 3ksc h LEU 162 CO 0.74 0.23 -0.56 0.00 0.09 0.00 0.00 178.44 178.94 3ksc s ALA 163 N -4.22 1.59 0.00 1.53 0.00 -1.26 -4.36 121.76 115.03 3ksc s ALA 163 Ca -0.03 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.10 3ksc s ALA 163 Cb 0.14 1.35 0.00 0.00 0.00 0.00 0.00 23.12 24.61 3ksc s ALA 163 CO 0.66 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 176.24 3ksc n GLY 164 N -0.46 -1.72 2.76 0.00 0.00 -1.26 -4.64 105.19 99.86 3ksc n GLY 164 Ca 0.03 -2.01 -0.02 0.00 0.00 0.00 0.00 46.02 44.02 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 0.06 0.42 -4.36 1.61 5.15 -1.26 -4.15 115.26 112.73 3ksc n ASN 165 Ca 0.00 -2.19 -0.24 0.00 -0.60 0.00 0.00 54.58 51.55 3ksc n ASN 165 Cb 0.00 -0.04 -0.12 0.00 -0.53 0.00 0.00 39.78 39.09 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 -2.30 2.00 0.57 1.20 -3.43 -1.26 -3.90 115.29 108.17 3ksc s HIS 166 Ca 0.21 -0.42 -0.18 0.00 -0.80 0.00 0.00 55.06 53.88 3ksc s HIS 166 Cb 0.38 -1.02 -0.05 0.00 -1.43 0.00 0.00 32.58 30.47 3ksc s HIS 166 CO -0.06 0.37 1.11 -1.21 -2.00 0.00 0.00 174.74 172.94 3ksc s GLU 167 N -2.55 3.27 0.34 -0.38 2.02 -1.26 -4.63 118.70 115.51 3ksc s GLU 167 Ca 0.16 1.48 -0.27 0.00 0.02 0.00 0.00 54.97 56.36 3ksc s GLU 167 Cb -0.07 -2.01 -0.09 0.00 0.10 0.00 0.00 34.13 32.06 3ksc s GLU 167 CO 0.07 -0.89 1.16 -1.14 0.02 0.00 0.00 175.26 174.48 3ksc s GLN 168 N -3.55 4.35 0.35 1.61 -0.44 -1.26 -4.94 119.66 115.77 3ksc s GLN 168 Ca 0.70 1.87 0.26 0.00 -2.50 0.00 0.00 55.36 55.68 3ksc s GLN 168 Cb -0.21 -2.94 1.21 0.00 -1.64 0.00 0.00 33.01 29.43 3ksc s GLN 168 CO 0.31 -0.07 1.78 1.05 0.50 0.00 0.00 175.29 178.86 3ksc h GLU 169 N 3.22 0.00 -0.01 1.67 9.09 -1.95 -1.88 114.58 124.72 3ksc h GLU 169 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.93 3ksc h GLU 169 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 3ksc h GLU 169 CO 0.65 0.00 -0.39 1.19 0.05 0.00 0.00 179.01 180.51 3ksc n PHE 170 N -2.42 0.00 -0.36 2.06 3.72 -1.26 -4.38 117.46 114.82 3ksc n PHE 170 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.45 3ksc n PHE 170 Cb 0.16 -0.05 0.20 0.00 -0.94 0.00 0.00 39.48 38.85 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 1.88 0.98 -0.23 4.37 6.46 -1.65 -1.90 115.31 125.21 3ksc h LEU 171 Ca 0.00 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 3ksc h LEU 171 Cb 0.64 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.40 3ksc h LEU 171 CO 0.00 0.58 0.04 0.00 -0.62 0.00 0.00 178.44 178.45 3ksc n GLN 172 N -4.56 0.02 0.00 1.25 10.64 -1.26 -1.57 117.38 121.90 3ksc n GLN 172 Ca 0.17 0.49 0.08 0.00 -1.83 0.00 0.00 57.00 55.91 3ksc n GLN 172 Cb 0.25 -1.62 -0.08 0.00 -0.86 0.00 0.00 30.24 27.94 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 -1.59 0.00 -2.75 2.61 4.01 -0.71 -4.88 117.16 113.85 3ksc n TYR 173 Ca -0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.35 3ksc n TYR 173 Cb 0.05 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.02 3ksc n TYR 173 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3ksc s GLN 174 N -2.53 4.69 -0.22 -0.72 -0.21 -0.61 -4.98 119.66 115.08 3ksc s GLN 174 Ca 0.08 1.42 0.02 0.00 0.02 0.00 0.00 55.36 56.90 3ksc s GLN 174 Cb 0.13 -3.01 0.05 0.00 1.00 0.00 0.00 33.01 31.18 3ksc s GLN 174 CO 0.66 0.36 -0.12 -3.38 -2.12 0.00 0.00 175.29 170.69 3ksc s HIS 175 N -1.42 2.86 0.00 0.91 -3.43 -1.26 -5.05 115.29 107.90 3ksc s HIS 175 Ca 0.46 -1.93 0.00 0.00 -0.80 0.00 0.00 55.06 52.79 3ksc s HIS 175 Cb -0.22 -1.82 0.00 0.00 -1.43 0.00 0.00 32.58 29.11 3ksc s HIS 175 CO 0.28 -0.82 0.00 0.00 -2.00 0.00 0.00 174.74 172.20 3ksc n GLN 176 N 4.56 2.98 0.00 -0.38 10.64 -1.26 -5.27 117.38 128.66 3ksc n GLN 176 Ca -0.16 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.01 3ksc n GLN 176 Cb 0.45 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.83 3ksc n GLN 176 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 3ksc n GLN 183 N 0.00 0.00 -3.00 2.61 0.00 -1.26 -5.35 117.38 110.38 3ksc n GLN 183 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.00 56.57 3ksc n GLN 183 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.18 3ksc n GLN 183 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 3ksc s GLU 184 N -2.68 3.36 -0.01 3.69 4.04 -1.26 -5.02 118.70 120.83 3ksc s GLU 184 Ca 0.00 -0.20 0.00 0.00 0.04 0.00 0.00 54.97 54.81 3ksc s GLU 184 Cb 0.00 -3.95 0.02 0.00 0.02 0.00 0.00 34.13 30.22 3ksc s GLU 184 CO 0.00 -1.11 0.00 0.54 -1.84 0.00 0.00 175.26 172.86 3ksc s ASN 185 N 2.14 0.18 0.00 0.83 4.22 -1.26 -5.01 114.94 116.04 3ksc s ASN 185 Ca 0.28 -0.00 0.00 0.00 -2.14 0.00 0.00 52.86 50.99 3ksc s ASN 185 Cb -0.13 -0.08 0.00 0.00 1.28 0.00 0.00 41.25 42.32 3ksc s ASN 185 CO 0.21 -0.06 0.00 -1.84 -2.04 0.00 0.00 177.10 173.37 3ksc n GLU 186 N 3.67 0.00 -0.52 3.55 -0.00 -1.26 -5.10 120.64 120.98 3ksc n GLU 186 Ca -0.21 0.00 -0.24 0.00 -0.00 0.00 0.00 57.16 56.71 3ksc n GLU 186 Cb 0.54 0.00 0.18 0.00 -0.00 0.00 0.00 31.44 32.16 3ksc n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3ksc n GLY 187 N 4.88 -2.69 0.00 -1.84 0.00 -1.26 -4.99 105.19 99.29 3ksc n GLY 187 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.10 1.63 -4.97 1.61 4.13 -1.26 -4.90 115.26 109.40 3ksc n ASN 188 Ca 0.05 -1.63 -0.21 0.00 1.68 0.00 0.00 54.58 54.47 3ksc n ASN 188 Cb 0.46 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.73 3ksc n ASN 188 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3ksc s ASN 189 N -0.63 5.47 0.49 6.41 6.03 -1.26 -4.84 114.94 126.61 3ksc s ASN 189 Ca 0.00 0.04 0.21 0.00 -1.03 0.00 0.00 52.86 52.08 3ksc s ASN 189 Cb 0.00 -1.05 1.26 0.00 -3.03 0.00 0.00 41.25 38.43 3ksc s ASN 189 CO 0.00 -0.98 2.04 0.16 -2.03 0.00 0.00 177.10 176.30 3ksc h ILE 190 N 0.22 0.84 0.00 0.54 3.07 -1.64 -1.37 117.51 119.17 3ksc h ILE 190 Ca -0.43 -0.55 -0.18 0.00 1.55 0.00 0.00 64.86 65.25 3ksc h ILE 190 Cb 1.28 1.32 -0.02 0.00 -0.27 0.00 0.00 36.82 39.13 3ksc h ILE 190 CO 0.53 0.14 -0.85 -0.26 -1.05 0.00 0.00 178.15 176.66 3ksc h PHE 191 N 0.00 0.02 0.00 0.16 0.04 -1.85 -3.25 116.94 112.05 3ksc h PHE 191 Ca -0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3ksc h PHE 191 Cb 0.31 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.46 3ksc h PHE 191 CO 0.00 0.86 0.00 0.66 -0.60 0.00 0.00 178.31 179.23 3ksc h SER 192 N 0.01 0.00 1.01 2.17 4.64 -1.47 -1.78 113.55 118.12 3ksc h SER 192 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3ksc h SER 192 Cb 1.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 3ksc h SER 192 CO 0.11 0.00 -0.38 0.61 -0.87 0.00 0.00 176.83 176.31 3ksc n GLY 193 N -0.69 -1.49 3.90 -0.77 0.00 -1.23 -4.75 105.19 100.16 3ksc n GLY 193 Ca -0.01 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.11 3.47 0.42 1.61 0.08 -0.67 -5.08 117.98 114.71 3ksc s PHE 194 Ca 0.09 0.74 -0.22 0.00 0.12 0.00 0.00 56.93 57.66 3ksc s PHE 194 Cb 0.14 -2.19 -0.10 0.00 -0.57 0.00 0.00 43.02 40.30 3ksc s PHE 194 CO 0.67 0.10 0.97 0.15 -0.10 0.00 0.00 175.22 177.01 3ksc s LYS 195 N -3.62 4.19 0.41 0.44 -0.14 -1.26 -4.94 119.74 114.82 3ksc s LYS 195 Ca 0.46 1.23 0.12 0.00 -1.36 0.00 0.00 55.97 56.42 3ksc s LYS 195 Cb -0.11 -2.28 0.95 0.00 -1.68 0.00 0.00 37.83 34.72 3ksc s LYS 195 CO 0.30 -0.07 1.93 0.00 -0.76 0.00 0.00 175.35 176.75 3ksc h ARG 196 N 2.07 0.50 -0.50 1.68 3.08 -1.97 -1.83 114.38 117.42 3ksc h ARG 196 Ca -0.49 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.44 3ksc h ARG 196 Cb 1.19 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 3ksc h ARG 196 CO 0.61 0.33 -0.04 -0.44 -1.07 0.00 0.00 179.97 179.37 3ksc h ASP 197 N 0.52 0.90 -0.42 7.04 3.45 -1.98 0.29 116.42 126.22 3ksc h ASP 197 Ca 0.35 -0.33 0.05 0.00 0.43 0.00 0.00 57.03 57.53 3ksc h ASP 197 Cb 0.65 -0.24 -0.05 0.00 -0.56 0.00 0.00 39.33 39.13 3ksc h ASP 197 CO -0.12 1.01 0.15 -0.26 -1.57 0.00 0.00 179.24 178.45 3ksc h PHE 198 N 0.77 0.27 -0.06 4.55 -1.00 -1.73 0.93 116.94 120.67 3ksc h PHE 198 Ca 0.14 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.92 3ksc h PHE 198 Cb 0.57 -0.06 -0.00 0.00 3.61 0.00 0.00 35.95 40.07 3ksc h PHE 198 CO 0.04 0.11 -0.02 -0.07 -1.61 0.00 0.00 178.31 176.76 3ksc h LEU 199 N 0.32 0.11 -0.24 1.54 4.07 -1.17 0.69 115.31 120.63 3ksc h LEU 199 Ca 0.19 -0.38 0.06 0.00 0.08 0.00 0.00 57.88 57.83 3ksc h LEU 199 Cb 0.17 -0.03 -0.06 0.00 1.08 0.00 0.00 40.66 41.82 3ksc h LEU 199 CO -0.19 0.47 -0.19 -0.33 -1.08 0.00 0.00 178.44 177.12 3ksc h GLU 200 N -0.25 -0.19 -0.24 1.13 5.08 -0.35 0.10 114.58 119.87 3ksc h GLU 200 Ca 0.01 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3ksc h GLU 200 Cb 0.42 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3ksc h GLU 200 CO 0.01 -0.12 0.10 -0.44 -1.00 0.00 0.00 179.01 177.55 3ksc h ASP 201 N -0.19 0.33 -0.60 1.42 3.32 -0.76 0.49 116.42 120.43 3ksc h ASP 201 Ca 0.14 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3ksc h ASP 201 Cb 0.40 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 3ksc h ASP 201 CO -0.35 0.39 0.39 0.00 -1.72 0.00 0.00 179.24 177.95 3ksc h ALA 202 N 0.95 1.55 0.00 3.45 0.00 0.91 -3.09 119.26 123.03 3ksc h ALA 202 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ksc h ALA 202 Cb 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ksc h ALA 202 CO -0.01 0.41 -0.88 1.19 0.00 0.00 0.00 179.25 179.96 3ksc n PHE 203 N -4.43 0.00 -3.32 0.00 3.72 0.31 -5.02 117.46 108.72 3ksc n PHE 203 Ca 0.06 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.30 3ksc n PHE 203 Cb 0.05 -0.08 0.08 0.00 -0.94 0.00 0.00 39.48 38.59 3ksc n PHE 203 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3ksc n ASN 204 N -1.48 -4.11 -4.12 4.37 5.15 0.17 -5.03 115.26 110.21 3ksc n ASN 204 Ca 0.01 -0.65 -0.09 0.00 -0.60 0.00 0.00 54.58 53.26 3ksc n ASN 204 Cb 0.25 -5.10 -0.10 0.00 -0.53 0.00 0.00 39.78 34.30 3ksc n ASN 204 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3ksc s VAL 205 N -3.37 0.15 0.93 3.44 -7.23 -1.04 -5.05 120.40 108.22 3ksc s VAL 205 Ca 0.21 -1.84 -0.12 0.00 -1.81 0.00 0.00 61.98 58.41 3ksc s VAL 205 Cb -0.03 -1.83 0.15 0.00 0.56 0.00 0.00 36.38 35.23 3ksc s VAL 205 CO 0.72 -0.66 1.14 0.54 -0.31 0.00 0.00 175.10 176.52 3ksc s ASN 206 N -2.99 3.36 0.45 4.85 2.20 -1.26 -4.60 114.94 116.94 3ksc s ASN 206 Ca 0.17 0.96 0.17 0.00 -0.94 0.00 0.00 52.86 53.23 3ksc s ASN 206 Cb 0.07 -1.53 1.11 0.00 -2.00 0.00 0.00 41.25 38.90 3ksc s ASN 206 CO -0.03 -2.65 1.93 -0.09 -2.94 0.00 0.00 177.10 173.33 3ksc h ARG 207 N -1.56 0.33 0.04 3.55 9.65 -1.99 -2.86 114.38 121.53 3ksc h ARG 207 Ca -0.51 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.35 3ksc h ARG 207 Cb 1.33 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.84 3ksc h ARG 207 CO 0.61 0.22 -0.02 1.25 2.80 0.00 0.00 179.97 184.83 3ksc h HIS 208 N 0.34 -0.04 -0.37 2.20 2.76 -2.00 -2.08 115.15 115.96 3ksc h HIS 208 Ca 0.35 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.57 3ksc h HIS 208 Cb 0.88 0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.81 3ksc h HIS 208 CO -0.00 0.34 0.11 0.82 -1.30 0.00 0.00 177.93 177.89 3ksc h ILE 209 N -0.43 0.86 -0.89 6.26 2.04 -1.88 -2.12 117.51 121.35 3ksc h ILE 209 Ca -0.00 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.82 3ksc h ILE 209 Cb 0.40 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 3ksc h ILE 209 CO 0.01 0.05 0.57 0.58 0.00 0.00 0.00 178.15 179.35 3ksc h VAL 210 N 0.25 1.09 -0.80 1.67 2.07 -1.48 0.05 116.25 119.10 3ksc h VAL 210 Ca 0.17 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.34 3ksc h VAL 210 Cb 0.17 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 29.84 3ksc h VAL 210 CO -0.19 0.19 0.53 0.44 0.02 0.00 0.00 177.57 178.56 3ksc h ASP 211 N 1.06 0.91 -0.14 0.57 5.19 -0.79 -1.26 116.42 121.97 3ksc h ASP 211 Ca 0.37 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.76 3ksc h ASP 211 Cb 0.10 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 3ksc h ASP 211 CO -0.15 0.66 0.07 0.03 -3.12 0.00 0.00 179.24 176.73 3ksc h ARG 212 N 1.08 0.20 -0.53 3.56 2.47 -0.70 -2.14 114.38 118.32 3ksc h ARG 212 Ca 0.29 -0.03 0.11 0.00 -1.26 0.00 0.00 59.98 59.09 3ksc h ARG 212 Cb -0.12 -0.04 -0.10 0.00 -1.65 0.00 0.00 29.97 28.06 3ksc h ARG 212 CO -0.07 0.26 -0.15 1.25 0.56 0.00 0.00 179.97 181.82 3ksc h LEU 213 N 0.10 -0.55 0.00 3.04 5.85 -0.54 0.16 115.31 123.37 3ksc h LEU 213 Ca 0.05 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3ksc h LEU 213 Cb 0.12 0.35 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3ksc h LEU 213 CO -0.01 -0.19 0.00 0.00 -0.34 0.00 0.00 178.44 177.90 3ksc n GLN 214 N -5.39 0.49 -3.00 1.25 6.02 -0.52 -4.64 117.38 111.59 3ksc n GLN 214 Ca 0.05 0.04 -0.22 0.00 -0.01 0.00 0.00 57.00 56.87 3ksc n GLN 214 Cb 0.29 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.09 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 0.65 -0.47 0.30 1.08 0.00 0.57 -4.44 105.19 102.89 3ksc n GLY 215 Ca 0.14 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 -1.37 0.62 -0.48 1.61 3.08 -1.67 -3.01 114.38 113.16 3ksc h ARG 216 Ca -0.51 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.46 3ksc h ARG 216 Cb 1.35 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3ksc h ARG 216 CO 0.55 0.51 0.00 0.09 -1.07 0.00 0.00 179.97 180.04 3ksc n ASN 217 N -4.37 5.00 -4.63 7.04 3.02 -1.26 -4.94 115.26 115.12 3ksc n ASN 217 Ca 0.03 -2.89 -0.32 0.00 -0.03 0.00 0.00 54.58 51.37 3ksc n ASN 217 Cb 0.14 -0.62 -0.10 0.00 -0.61 0.00 0.00 39.78 38.59 3ksc n ASN 217 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3ksc s GLU 218 N -2.65 2.63 0.20 3.52 2.12 -1.14 -5.12 118.70 118.27 3ksc s GLU 218 Ca 0.50 -0.69 -0.01 0.00 0.36 0.00 0.00 54.97 55.13 3ksc s GLU 218 Cb 0.38 -2.56 -0.04 0.00 0.26 0.00 0.00 34.13 32.16 3ksc s GLU 218 CO 0.15 0.61 0.40 0.16 -0.54 0.00 0.00 175.26 176.04 3ksc s ASP 219 N -1.47 6.39 0.57 -1.70 -4.77 -1.26 -4.71 116.67 109.72 3ksc s ASP 219 Ca 0.18 0.43 0.29 0.00 -3.30 0.00 0.00 52.55 50.14 3ksc s ASP 219 Cb -0.11 -2.02 1.47 0.00 -1.09 0.00 0.00 42.92 41.17 3ksc s ASP 219 CO 0.08 -0.05 1.91 -0.08 0.70 0.00 0.00 175.17 177.73 3ksc h GLU 220 N 2.01 0.00 0.00 2.11 4.57 -1.99 -1.46 114.58 119.82 3ksc h GLU 220 Ca -0.48 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 3ksc h GLU 220 Cb 1.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 3ksc h GLU 220 CO 0.68 0.00 0.00 0.39 -1.18 0.00 0.00 179.01 178.90 3ksc n GLU 221 N -3.93 0.20 -0.02 1.92 1.02 -1.26 -3.61 120.64 114.97 3ksc n GLU 221 Ca 0.11 0.27 -0.13 0.00 -0.02 0.00 0.00 57.16 57.39 3ksc n GLU 221 Cb 0.73 -1.79 -0.09 0.00 -0.02 0.00 0.00 31.44 30.27 3ksc n GLU 221 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3ksc h LYS 222 N 0.00 0.06 0.00 3.49 3.64 -1.60 -3.20 116.57 118.95 3ksc h LYS 222 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3ksc h LYS 222 Cb 0.57 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3ksc h LYS 222 CO 0.00 0.50 0.00 0.41 -2.27 0.00 0.00 179.45 178.09 3ksc n GLY 223 N 0.13 -1.91 0.06 5.01 0.00 -1.24 0.70 105.19 107.95 3ksc n GLY 223 Ca -0.08 -1.76 -0.07 0.00 0.00 0.00 0.00 46.02 44.11 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 0.36 -3.11 4.61 0.00 -1.92 -3.43 119.26 115.77 3ksc h ALA 224 Ca 0.00 -0.90 -0.68 0.00 0.00 0.00 0.00 54.91 53.33 3ksc h ALA 224 Cb 0.00 -0.16 -0.28 0.00 0.00 0.00 0.00 17.79 17.35 3ksc h ALA 224 CO 0.00 1.24 -0.64 0.42 0.00 0.00 0.00 179.25 180.27 3ksc s ILE 225 N -2.72 3.70 -0.03 0.00 1.01 -1.26 -1.66 121.20 120.25 3ksc s ILE 225 Ca 0.01 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.81 3ksc s ILE 225 Cb 0.10 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 3ksc s ILE 225 CO 0.82 0.05 -0.00 -0.69 0.00 0.00 0.00 174.94 175.12 3ksc s VAL 226 N 1.44 4.18 -0.03 2.92 1.01 -0.06 0.43 120.40 130.29 3ksc s VAL 226 Ca 0.01 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 3ksc s VAL 226 Cb -0.18 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 3ksc s VAL 226 CO 0.01 0.45 1.25 -0.54 0.00 0.00 0.00 175.10 176.27 3ksc s LYS 227 N -1.34 4.34 -0.48 2.72 -0.14 -1.26 0.54 119.74 124.12 3ksc s LYS 227 Ca 0.18 1.75 -0.21 0.00 -1.36 0.00 0.00 55.97 56.33 3ksc s LYS 227 Cb -0.11 -3.54 0.04 0.00 -1.68 0.00 0.00 37.83 32.53 3ksc s LYS 227 CO 0.08 -0.46 0.69 0.08 -0.76 0.00 0.00 175.35 174.98 3ksc s VAL 228 N 2.14 4.76 0.00 3.17 1.01 -0.24 -4.94 120.40 126.31 3ksc s VAL 228 Ca 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.49 3ksc s VAL 228 Cb -0.27 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.81 3ksc s VAL 228 CO 0.24 -0.77 0.90 0.29 0.00 0.00 0.00 175.10 175.76 3ksc n LYS 229 N 6.45 0.00 0.00 2.72 5.02 -1.26 -1.61 118.16 129.48 3ksc n LYS 229 Ca -0.03 0.73 0.09 0.00 -2.02 0.00 0.00 58.31 57.09 3ksc n LYS 229 Cb 0.47 -1.40 0.54 0.00 -0.02 0.00 0.00 35.03 34.62 3ksc n LYS 229 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ksc n GLY 230 N -0.97 -0.71 0.00 0.72 0.00 -1.26 -4.98 105.19 97.99 3ksc n GLY 230 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3ksc n GLY 230 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ksc n GLY 231 N 0.39 -1.05 3.98 -0.02 0.00 -0.63 -5.02 105.19 102.85 3ksc n GLY 231 Ca 0.14 -1.64 -0.20 0.00 0.00 0.00 0.00 46.02 44.32 3ksc n GLY 231 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ksc s LEU 232 N -3.52 3.69 -0.42 0.99 1.98 -1.26 -4.99 118.68 115.16 3ksc s LEU 232 Ca 0.00 -0.12 0.02 0.00 -2.89 0.00 0.00 54.13 51.14 3ksc s LEU 232 Cb 0.00 -2.83 0.12 0.00 0.66 0.00 0.00 46.19 44.14 3ksc s LEU 232 CO 0.00 -0.71 0.19 -0.55 -1.89 0.00 0.00 176.35 173.40 3ksc s SER 233 N -4.28 3.99 -0.00 3.68 0.15 -1.26 -5.08 113.70 110.90 3ksc s SER 233 Ca 0.51 -2.47 -0.15 0.00 0.70 0.00 0.00 55.95 54.54 3ksc s SER 233 Cb -0.10 -1.20 0.02 0.00 -1.71 0.00 0.00 66.02 63.04 3ksc s SER 233 CO 0.34 -0.30 0.33 0.27 1.20 0.00 0.00 173.24 175.08 3ksc s ILE 234 N 0.52 0.06 0.24 6.45 -4.36 -1.26 -5.18 121.20 117.67 3ksc s ILE 234 Ca 0.15 -0.50 0.07 0.00 -0.26 0.00 0.00 60.65 60.11 3ksc s ILE 234 Cb -0.23 -0.71 -0.04 0.00 1.25 0.00 0.00 42.46 42.73 3ksc s ILE 234 CO -0.05 -0.28 0.13 -0.63 0.24 0.00 0.00 174.94 174.35 3ksc s ILE 235 N -1.63 4.18 -0.47 8.37 -1.09 -1.26 -5.08 121.20 124.21 3ksc s ILE 235 Ca -0.11 -1.47 -0.22 0.00 -2.23 0.00 0.00 60.65 56.62 3ksc s ILE 235 Cb -0.04 -3.22 0.03 0.00 -1.58 0.00 0.00 42.46 37.65 3ksc s ILE 235 CO 0.03 -0.30 0.74 -0.55 -1.23 0.00 0.00 174.94 173.63 3ksc s SER 236 N -3.62 6.34 0.00 3.58 0.15 -1.26 -4.94 113.70 113.95 3ksc s SER 236 Ca 0.32 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.63 3ksc s SER 236 Cb -0.08 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 3ksc s SER 236 CO 0.23 -0.92 0.00 -2.65 1.20 0.00 0.00 173.24 171.10 3ksc n PRO 237 N 6.61 2.09 0.00 5.44 -0.02 -1.26 -5.15 135.00 142.71 3ksc n PRO 237 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3ksc n PRO 237 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 3ksc n PRO 237 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3ksc n THR 316 N 0.00 0.00 -3.61 3.45 -2.24 -1.26 -5.22 114.28 105.41 3ksc n THR 316 Ca 0.00 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 3ksc n THR 316 Cb 0.00 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 3ksc n THR 316 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ksc s VAL 317 N 0.00 4.00 -2.32 2.28 1.01 -1.26 -4.90 120.40 119.20 3ksc s VAL 317 Ca 0.00 -1.94 0.22 0.00 0.00 0.00 0.00 61.98 60.26 3ksc s VAL 317 Cb 0.00 -3.65 0.46 0.00 0.00 0.00 0.00 36.38 33.19 3ksc s VAL 317 CO 0.00 -0.77 1.44 0.00 0.00 0.00 0.00 175.10 175.77 3ksc n THR 319 N 1.23 0.19 -1.36 0.00 5.66 -1.26 -4.95 114.28 113.79 3ksc n THR 319 Ca 0.19 -0.27 -0.31 0.00 -3.05 0.00 0.00 64.05 60.61 3ksc n THR 319 Cb 0.53 0.19 0.08 0.00 -1.55 0.00 0.00 70.33 69.58 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 -1.81 2.37 0.17 1.79 0.00 -1.23 -5.00 121.76 118.05 3ksc s ALA 320 Ca 0.28 0.20 -0.30 0.00 0.00 0.00 0.00 51.96 52.14 3ksc s ALA 320 Cb 0.15 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.95 3ksc s ALA 320 CO 0.22 -1.61 1.30 0.21 0.00 0.00 0.00 175.76 175.88 3ksc s LYS 321 N -4.95 4.39 0.00 0.00 2.20 -1.26 -4.93 119.74 115.19 3ksc s LYS 321 Ca 0.60 2.01 0.10 0.00 -0.36 0.00 0.00 55.97 58.32 3ksc s LYS 321 Cb -0.16 -3.23 0.15 0.00 -1.51 0.00 0.00 37.83 33.08 3ksc s LYS 321 CO 0.56 -0.26 0.96 1.28 -0.36 0.00 0.00 175.35 177.53 3ksc n LEU 322 N 2.99 2.19 -3.81 5.43 7.99 -1.26 -4.60 117.00 125.93 3ksc n LEU 322 Ca 0.07 -1.34 -0.12 0.00 -0.01 0.00 0.00 56.01 54.61 3ksc n LEU 322 Cb 0.43 -0.07 -0.10 0.00 -0.11 0.00 0.00 43.42 43.57 3ksc n LEU 322 CO 0.57 0.48 -0.09 -0.60 -1.51 0.00 0.00 177.39 176.24 3ksc s ARG 323 N -0.90 0.47 -0.26 3.23 3.52 -1.26 -1.30 118.95 122.44 3ksc s ARG 323 Ca 0.15 -0.08 -0.17 0.00 -0.13 0.00 0.00 55.73 55.51 3ksc s ARG 323 Cb 0.09 0.21 0.08 0.00 -1.56 0.00 0.00 34.95 33.77 3ksc s ARG 323 CO 0.13 -0.11 0.66 -1.17 -0.81 0.00 0.00 175.30 174.01 3ksc s LEU 324 N -0.83 -0.80 -0.01 -0.88 2.96 -0.86 -4.98 118.68 113.28 3ksc s LEU 324 Ca -0.09 1.43 -0.26 0.00 -0.22 0.00 0.00 54.13 54.98 3ksc s LEU 324 Cb -0.05 2.27 -0.04 0.00 0.50 0.00 0.00 46.19 48.87 3ksc s LEU 324 CO 0.02 -0.23 0.81 0.21 -1.32 0.00 0.00 176.35 175.84 3ksc s ASN 325 N 1.39 7.18 -0.07 3.68 3.84 -1.26 -0.85 114.94 128.85 3ksc s ASN 325 Ca -0.08 1.42 0.11 0.00 0.21 0.00 0.00 52.86 54.52 3ksc s ASN 325 Cb -0.05 -2.48 0.16 0.00 -0.55 0.00 0.00 41.25 38.33 3ksc s ASN 325 CO -0.16 -0.13 1.06 2.30 -2.79 0.00 0.00 177.10 177.39 3ksc n ILE 326 N 3.53 1.36 -0.40 -5.21 -5.35 0.04 -4.71 119.36 108.62 3ksc n ILE 326 Ca 0.01 -1.57 0.00 0.00 -0.27 0.00 0.00 62.75 60.91 3ksc n ILE 326 Cb 0.51 0.11 0.00 0.00 -1.74 0.00 0.00 39.64 38.52 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 -0.96 0.37 0.20 3.28 0.00 -1.21 -4.72 105.19 102.15 3ksc n GLY 327 Ca 0.09 -1.68 0.05 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.79 1.61 0.11 -1.94 -2.85 132.00 128.14 3ksc h PRO 328 Ca 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 3ksc h PRO 328 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 3ksc h PRO 328 CO 0.00 0.33 0.35 0.66 -0.21 0.00 0.00 178.00 179.12 3ksc h SER 329 N 0.00 1.05 -4.02 -2.05 4.64 -1.92 -3.46 113.55 107.79 3ksc h SER 329 Ca -0.00 -0.14 -0.48 0.00 -0.47 0.00 0.00 61.79 60.69 3ksc h SER 329 Cb 0.65 -0.27 0.16 0.00 -0.31 0.00 0.00 62.40 62.63 3ksc h SER 329 CO 0.04 0.91 0.22 -0.94 -0.87 0.00 0.00 176.83 176.19 3ksc s SER 330 N -6.36 3.18 -0.17 4.97 1.04 -1.08 -4.98 113.70 110.29 3ksc s SER 330 Ca -0.12 1.57 -0.25 0.00 0.48 0.00 0.00 55.95 57.63 3ksc s SER 330 Cb 0.16 -2.23 -0.01 0.00 0.10 0.00 0.00 66.02 64.04 3ksc s SER 330 CO 0.83 -2.83 0.83 -0.55 0.98 0.00 0.00 173.24 172.49 3ksc s SER 331 N -3.25 6.94 0.40 7.02 0.15 -1.26 -4.96 113.70 118.74 3ksc s SER 331 Ca 0.64 1.16 -0.26 0.00 0.70 0.00 0.00 55.95 58.19 3ksc s SER 331 Cb -0.19 -2.45 -0.09 0.00 -1.71 0.00 0.00 66.02 61.58 3ksc s SER 331 CO 0.58 -0.41 1.26 -2.84 1.20 0.00 0.00 173.24 173.04 3ksc s PRO 332 N 2.20 4.01 0.12 5.44 0.02 -1.26 -4.94 135.00 140.58 3ksc s PRO 332 Ca 0.38 2.07 -0.08 0.00 0.02 0.00 0.00 61.00 63.39 3ksc s PRO 332 Cb -0.16 -2.75 -0.10 0.00 0.02 0.00 0.00 34.50 31.50 3ksc s PRO 332 CO 0.12 -0.43 1.32 -0.44 -0.33 0.00 0.00 177.00 177.24 3ksc h ASP 333 N 2.71 0.75 -3.28 2.53 3.32 -1.53 -3.43 116.42 117.47 3ksc h ASP 333 Ca -0.49 -0.52 -0.52 0.00 0.02 0.00 0.00 57.03 55.52 3ksc h ASP 333 Cb 1.24 -0.22 -0.35 0.00 0.22 0.00 0.00 39.33 40.22 3ksc h ASP 333 CO 0.63 1.31 -0.81 -0.63 -1.72 0.00 0.00 179.24 178.02 3ksc s ILE 334 N -3.56 1.04 -0.04 0.35 1.01 -0.97 -5.00 121.20 114.03 3ksc s ILE 334 Ca -0.08 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.26 3ksc s ILE 334 Cb 0.09 -1.02 -0.00 0.00 0.01 0.00 0.00 42.46 41.54 3ksc s ILE 334 CO 0.88 0.36 -0.16 -0.47 0.00 0.00 0.00 174.94 175.55 3ksc s TYR 335 N 1.27 1.61 -0.16 3.97 5.04 -1.26 -1.20 117.35 126.62 3ksc s TYR 335 Ca -0.03 -0.44 -0.02 0.00 -2.44 0.00 0.00 57.07 54.14 3ksc s TYR 335 Cb -0.14 -1.09 0.05 0.00 0.35 0.00 0.00 41.96 41.13 3ksc s TYR 335 CO -0.03 -0.15 -0.00 1.21 -1.34 0.00 0.00 175.55 175.24 3ksc s ASN 336 N 0.02 2.64 0.61 4.32 3.84 0.01 -5.00 114.94 121.38 3ksc s ASN 336 Ca -0.03 -0.63 0.28 0.00 0.21 0.00 0.00 52.86 52.69 3ksc s ASN 336 Cb -0.11 -0.68 1.43 0.00 -0.55 0.00 0.00 41.25 41.35 3ksc s ASN 336 CO 0.02 -0.24 1.84 -0.65 -2.79 0.00 0.00 177.10 175.27 3ksc h PRO 337 N 8.21 0.00 -0.04 0.43 0.11 -2.00 0.72 132.00 139.43 3ksc h PRO 337 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 3ksc h PRO 337 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3ksc h PRO 337 CO 0.34 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.52 3ksc n GLU 338 N -3.45 1.02 0.00 1.05 -0.58 -1.26 -4.76 120.64 112.66 3ksc n GLU 338 Ca 0.06 -1.37 0.00 0.00 -0.42 0.00 0.00 57.16 55.43 3ksc n GLU 338 Cb 0.66 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 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 0.77 2.03 0.00 0.62 0.00 0.07 -4.39 120.51 119.61 3ksc n ALA 339 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3ksc n ALA 339 Cb 0.35 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 2.58 0.65 3.44 0.00 0.00 -0.20 -0.43 105.19 111.24 3ksc n GLY 340 Ca 0.00 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.64 1.28 -0.03 1.61 1.70 0.22 -0.81 118.95 121.27 3ksc s ARG 341 Ca 0.00 -0.99 -0.01 0.00 -0.47 0.00 0.00 55.73 54.26 3ksc s ARG 341 Cb 0.00 0.46 0.02 0.00 -0.57 0.00 0.00 34.95 34.86 3ksc s ARG 341 CO 0.00 -0.51 0.07 0.42 -1.08 0.00 0.00 175.30 174.20 3ksc s ILE 342 N -3.91 -0.03 -0.02 4.99 -1.09 -0.34 -1.29 121.20 119.51 3ksc s ILE 342 Ca 0.12 0.13 0.01 0.00 -2.23 0.00 0.00 60.65 58.68 3ksc s ILE 342 Cb 0.01 -0.12 0.01 0.00 -1.58 0.00 0.00 42.46 40.77 3ksc s ILE 342 CO -0.02 0.05 -0.03 -0.75 -1.23 0.00 0.00 174.94 172.96 3ksc s LYS 343 N 0.70 0.46 0.16 2.79 2.36 0.55 -1.17 119.74 125.59 3ksc s LYS 343 Ca -0.06 -0.09 0.09 0.00 -2.55 0.00 0.00 55.97 53.36 3ksc s LYS 343 Cb -0.08 -0.51 -0.04 0.00 -1.05 0.00 0.00 37.83 36.15 3ksc s LYS 343 CO -0.03 -0.00 -0.19 0.95 1.55 0.00 0.00 175.35 177.63 3ksc s THR 344 N 0.43 1.84 -0.08 3.43 -4.23 -1.26 0.79 115.64 116.55 3ksc s THR 344 Ca -0.05 -1.86 0.04 0.00 -1.18 0.00 0.00 61.69 58.64 3ksc s THR 344 Cb -0.08 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 71.95 3ksc s THR 344 CO -0.00 -0.26 -0.19 0.54 -0.54 0.00 0.00 174.62 174.16 3ksc s VAL 345 N -1.87 1.68 0.24 2.29 0.11 -0.47 -5.01 120.40 117.37 3ksc s VAL 345 Ca 0.14 -0.81 0.02 0.00 -2.93 0.00 0.00 61.98 58.41 3ksc s VAL 345 Cb -0.07 -1.47 -0.01 0.00 -1.53 0.00 0.00 36.38 33.31 3ksc s VAL 345 CO 0.06 0.48 0.09 0.35 -3.33 0.00 0.00 175.10 172.75 3ksc n THR 346 N 3.53 0.00 0.25 5.04 -2.24 -1.26 -2.80 114.28 116.80 3ksc n THR 346 Ca -0.20 -1.40 0.14 0.00 -2.27 0.00 0.00 64.05 60.32 3ksc n THR 346 Cb 0.52 0.51 0.71 0.00 -2.10 0.00 0.00 70.33 69.98 3ksc n THR 346 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3ksc h SER 347 N 0.97 0.00 1.18 3.42 4.64 -1.58 0.38 113.55 122.55 3ksc h SER 347 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3ksc h SER 347 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3ksc h SER 347 CO 0.29 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 176.18 3ksc h LEU 348 N 0.00 0.00 0.00 5.97 3.38 -1.93 -2.87 115.31 119.85 3ksc h LEU 348 Ca 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 3ksc h LEU 348 Cb 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3ksc h LEU 348 CO 0.00 0.00 -1.94 0.47 0.09 0.00 0.00 178.44 177.06 3ksc n ASP 349 N -2.66 2.57 -3.79 -0.43 9.92 -0.08 -4.84 116.55 117.24 3ksc n ASP 349 Ca 0.03 -0.06 -0.29 0.00 -0.53 0.00 0.00 54.79 53.94 3ksc n ASP 349 Cb 0.34 -0.29 -0.13 0.00 -0.64 0.00 0.00 41.12 40.41 3ksc n ASP 349 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3ksc s LEU 350 N -6.07 3.56 0.56 0.64 2.96 -0.07 -4.98 118.68 115.28 3ksc s LEU 350 Ca -0.22 -3.14 0.34 0.00 -0.22 0.00 0.00 54.13 50.89 3ksc s LEU 350 Cb 0.06 -1.29 1.47 0.00 0.50 0.00 0.00 46.19 46.94 3ksc s LEU 350 CO 0.37 -0.19 1.76 -0.65 -1.32 0.00 0.00 176.35 176.32 3ksc h PRO 351 N 6.15 0.00 0.00 0.98 0.11 -1.74 0.10 132.00 137.60 3ksc h PRO 351 Ca 0.05 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.11 3ksc h PRO 351 Cb 0.86 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 3ksc h PRO 351 CO 0.59 0.00 -0.23 -0.24 -0.21 0.00 0.00 178.00 177.90 3ksc h VAL 352 N 0.00 0.87 -0.52 3.15 3.04 -1.85 -2.10 116.25 118.84 3ksc h VAL 352 Ca 0.50 -0.90 0.15 0.00 -1.01 0.00 0.00 66.70 65.43 3ksc h VAL 352 Cb 2.17 1.53 -0.02 0.00 -2.01 0.00 0.00 31.29 32.97 3ksc h VAL 352 CO -0.01 0.23 0.54 -0.07 -1.01 0.00 0.00 177.57 177.25 3ksc h LEU 353 N 0.00 0.00 -1.65 3.16 4.07 -1.11 0.81 115.31 120.59 3ksc h LEU 353 Ca -0.00 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.92 3ksc h LEU 353 Cb 0.51 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.25 3ksc h LEU 353 CO 0.03 0.00 -0.17 0.08 -1.08 0.00 0.00 178.44 177.31 3ksc h ARG 354 N 0.00 0.00 0.07 1.13 0.11 -1.57 0.13 114.38 114.26 3ksc h ARG 354 Ca 0.25 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 60.08 3ksc h ARG 354 Cb 1.32 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.39 3ksc h ARG 354 CO -0.00 0.17 -1.18 -1.49 0.10 0.00 0.00 179.97 177.56 3ksc h TRP 355 N 0.00 0.28 0.00 4.08 4.06 -1.03 -3.33 115.95 120.01 3ksc h TRP 355 Ca -0.00 -0.20 -0.07 0.00 2.06 0.00 0.00 58.89 60.67 3ksc h TRP 355 Cb 0.47 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.61 3ksc h TRP 355 CO 0.00 1.17 -0.73 -0.07 -3.56 0.00 0.00 178.44 175.25 3ksc h LEU 356 N 0.04 0.00 -1.22 -4.49 3.38 -1.37 -3.48 115.31 108.17 3ksc h LEU 356 Ca -0.10 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.51 3ksc h LEU 356 Cb 1.90 0.00 0.15 0.00 0.09 0.00 0.00 40.66 42.80 3ksc h LEU 356 CO 0.17 0.29 -0.70 0.29 0.09 0.00 0.00 178.44 178.57 3ksc n LYS 357 N -2.99 -7.19 -4.16 1.13 4.76 0.39 -4.92 118.16 105.19 3ksc n LYS 357 Ca -0.01 0.82 -0.17 0.00 -2.87 0.00 0.00 58.31 56.08 3ksc n LYS 357 Cb 0.67 -5.79 -0.12 0.00 -1.84 0.00 0.00 35.03 27.95 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 -6.74 2.31 0.32 -0.35 1.43 -1.20 -1.66 118.68 112.79 3ksc s LEU 358 Ca 0.31 -0.66 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 3ksc s LEU 358 Cb -0.14 -0.42 0.00 0.00 0.03 0.00 0.00 46.19 45.67 3ksc s LEU 358 CO 0.71 -0.14 0.47 -0.94 0.23 0.00 0.00 176.35 176.68 3ksc s SER 359 N -1.91 0.61 -0.06 2.29 1.04 -0.76 -3.87 113.70 111.04 3ksc s SER 359 Ca -0.01 -1.35 -0.16 0.00 0.48 0.00 0.00 55.95 54.92 3ksc s SER 359 Cb -0.08 0.64 0.03 0.00 0.10 0.00 0.00 66.02 66.71 3ksc s SER 359 CO 0.02 -1.26 0.36 0.00 0.98 0.00 0.00 173.24 173.34 3ksc s ALA 360 N -3.28 -0.92 -0.12 5.32 0.00 -1.12 -1.00 121.76 120.64 3ksc s ALA 360 Ca 0.29 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.91 3ksc s ALA 360 Cb -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.97 3ksc s ALA 360 CO 0.17 -0.24 -0.10 -2.00 0.00 0.00 0.00 175.76 173.59 3ksc s GLU 361 N -0.80 1.77 -0.24 0.00 2.12 0.02 -1.37 118.70 120.20 3ksc s GLU 361 Ca -0.09 -0.36 -0.11 0.00 0.36 0.00 0.00 54.97 54.78 3ksc s GLU 361 Cb -0.04 -1.71 -0.05 0.00 0.26 0.00 0.00 34.13 32.59 3ksc s GLU 361 CO 0.03 -0.22 0.16 -1.58 -0.54 0.00 0.00 175.26 173.11 3ksc s HIS 362 N 1.52 3.32 0.22 5.30 5.65 0.24 -0.70 115.29 130.85 3ksc s HIS 362 Ca 0.03 0.24 0.10 0.00 0.25 0.00 0.00 55.06 55.68 3ksc s HIS 362 Cb -0.13 -2.26 -0.05 0.00 -1.18 0.00 0.00 32.58 28.96 3ksc s HIS 362 CO -0.07 0.08 -0.19 0.20 -0.65 0.00 0.00 174.74 174.11 3ksc s GLY 363 N 1.00 1.67 -0.20 1.59 0.00 0.21 -0.33 107.32 111.25 3ksc s GLY 363 Ca 0.08 -1.71 -0.08 0.00 0.00 0.00 0.00 44.72 43.01 3ksc s GLY 363 CO 0.04 -1.78 0.43 -0.45 0.00 0.00 0.00 173.10 171.34 3ksc s SER 364 N -3.13 -0.36 -0.10 1.64 0.15 -0.41 -0.92 113.70 110.57 3ksc s SER 364 Ca 0.24 1.00 0.03 0.00 0.70 0.00 0.00 55.95 57.91 3ksc s SER 364 Cb -0.05 1.24 -0.01 0.00 -1.71 0.00 0.00 66.02 65.50 3ksc s SER 364 CO 0.11 -0.22 -0.19 -0.76 1.20 0.00 0.00 173.24 173.37 3ksc s LEU 365 N 2.31 2.38 0.97 3.45 1.43 0.29 -0.61 118.68 128.90 3ksc s LEU 365 Ca -0.04 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.52 3ksc s LEU 365 Cb -0.11 -1.50 0.17 0.00 0.03 0.00 0.00 46.19 44.79 3ksc s LEU 365 CO -0.13 0.19 1.10 -1.00 0.23 0.00 0.00 176.35 176.73 3ksc s HIS 366 N 0.21 1.74 0.26 0.29 3.76 0.43 -1.06 115.29 120.91 3ksc s HIS 366 Ca -0.12 1.52 -0.31 0.00 -0.15 0.00 0.00 55.06 56.00 3ksc s HIS 366 Cb -0.16 -3.22 -0.12 0.00 1.11 0.00 0.00 32.58 30.19 3ksc s HIS 366 CO 0.06 -2.95 1.66 0.21 -0.85 0.00 0.00 174.74 172.87 3ksc s LYS 367 N -4.66 4.11 0.00 1.40 2.20 -1.14 -1.87 119.74 119.78 3ksc s LYS 367 Ca 0.66 2.61 0.00 0.00 -0.36 0.00 0.00 55.97 58.88 3ksc s LYS 367 Cb -0.22 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 3ksc s LYS 367 CO 0.59 -0.70 0.00 0.09 -0.36 0.00 0.00 175.35 174.98 3ksc n ASN 368 N 2.90 0.00 -4.83 1.43 5.03 0.65 -4.66 115.26 115.79 3ksc n ASN 368 Ca 0.11 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.24 3ksc n ASN 368 Cb 0.36 -1.15 -0.03 0.00 -1.02 0.00 0.00 39.78 37.94 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 -2.46 2.98 0.16 5.41 0.00 -0.78 -4.05 121.76 123.02 3ksc s ALA 369 Ca 0.00 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.28 3ksc s ALA 369 Cb 0.00 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 3ksc s ALA 369 CO 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 175.76 175.45 3ksc s MET 370 N -3.84 1.06 -0.08 0.00 0.23 -0.45 -1.42 119.30 114.79 3ksc s MET 370 Ca 0.61 -1.49 -0.04 0.00 -1.03 0.00 0.00 55.69 53.74 3ksc s MET 370 Cb -0.11 -0.31 -0.04 0.00 -1.53 0.00 0.00 34.83 32.84 3ksc s MET 370 CO 0.28 -0.08 0.09 -0.59 -2.03 0.00 0.00 175.02 172.69 3ksc s PHE 371 N -3.60 3.41 0.60 3.16 -0.12 -0.97 -0.48 117.98 119.97 3ksc s PHE 371 Ca 0.21 0.35 -0.19 0.00 -0.05 0.00 0.00 56.93 57.25 3ksc s PHE 371 Cb 0.05 -1.85 -0.04 0.00 -0.63 0.00 0.00 43.02 40.56 3ksc s PHE 371 CO 0.02 0.62 1.10 1.33 -0.05 0.00 0.00 175.22 178.24 3ksc n VAL 372 N 1.76 3.96 -1.58 -2.49 0.24 -0.35 -3.55 118.33 116.33 3ksc n VAL 372 Ca -0.17 -0.50 -0.49 0.00 -2.04 0.00 0.00 64.34 61.13 3ksc n VAL 372 Cb 0.54 -1.31 -0.04 0.00 -1.47 0.00 0.00 33.84 31.56 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 -1.17 1.14 -3.82 7.34 -0.02 -1.26 -4.67 135.00 132.55 3ksc n PRO 373 Ca 0.14 0.41 -0.08 0.00 -2.02 0.00 0.00 63.50 61.95 3ksc n PRO 373 Cb 0.47 -1.92 -0.02 0.00 -0.02 0.00 0.00 33.50 32.00 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 -0.08 -0.20 0.06 6.00 -3.43 0.07 -0.66 115.29 117.05 3ksc s HIS 374 Ca 0.75 -0.23 0.01 0.00 -0.80 0.00 0.00 55.06 54.79 3ksc s HIS 374 Cb -0.87 0.67 -0.04 0.00 -1.43 0.00 0.00 32.58 30.91 3ksc s HIS 374 CO 0.51 -1.19 -0.05 1.52 -2.00 0.00 0.00 174.74 173.54 3ksc s TYR 375 N -3.91 0.66 -0.13 0.38 -0.85 -0.73 0.86 117.35 113.64 3ksc s TYR 375 Ca 0.10 -0.87 -0.19 0.00 -0.52 0.00 0.00 57.07 55.59 3ksc s TYR 375 Cb -0.05 -0.42 -0.04 0.00 0.38 0.00 0.00 41.96 41.83 3ksc s TYR 375 CO 0.05 -0.23 0.50 -0.80 -1.52 0.00 0.00 175.55 173.55 3ksc s ASN 376 N -2.63 6.68 0.17 -0.18 0.01 -1.26 -0.73 114.94 117.00 3ksc s ASN 376 Ca 0.04 0.82 -0.10 0.00 -0.71 0.00 0.00 52.86 52.90 3ksc s ASN 376 Cb 0.03 -2.30 0.05 0.00 0.41 0.00 0.00 41.25 39.44 3ksc s ASN 376 CO -0.06 -0.04 1.63 -0.07 -1.51 0.00 0.00 177.10 177.06 3ksc h LEU 377 N 6.93 0.97 -4.92 0.60 4.07 -0.90 -0.61 115.31 121.46 3ksc h LEU 377 Ca -0.40 -0.29 -0.20 0.00 0.08 0.00 0.00 57.88 57.07 3ksc h LEU 377 Cb 1.18 -0.26 -0.28 0.00 1.08 0.00 0.00 40.66 42.38 3ksc h LEU 377 CO 0.75 1.03 -0.70 -0.46 -1.08 0.00 0.00 178.44 177.98 3ksc n ASN 378 N -4.25 0.09 -3.58 -0.43 6.94 -1.26 -4.71 115.26 108.06 3ksc n ASN 378 Ca 0.02 -2.10 -0.16 0.00 -0.02 0.00 0.00 54.58 52.32 3ksc n ASN 378 Cb 0.32 0.08 -0.07 0.00 -2.36 0.00 0.00 39.78 37.75 3ksc n ASN 378 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ksc s ALA 379 N -1.69 -1.72 0.21 -2.53 0.00 -1.26 -4.67 121.76 110.10 3ksc s ALA 379 Ca 0.18 1.59 -0.16 0.00 0.00 0.00 0.00 51.96 53.56 3ksc s ALA 379 Cb 0.36 -0.52 -0.08 0.00 0.00 0.00 0.00 23.12 22.89 3ksc s ALA 379 CO -0.08 -0.35 0.65 -0.80 0.00 0.00 0.00 175.76 175.18 3ksc s ASN 380 N -0.49 6.91 -0.01 0.00 0.01 -1.26 -3.21 114.94 116.89 3ksc s ASN 380 Ca -0.06 1.24 0.05 0.00 -0.71 0.00 0.00 52.86 53.38 3ksc s ASN 380 Cb -0.02 -2.35 -0.03 0.00 0.41 0.00 0.00 41.25 39.25 3ksc s ASN 380 CO 0.06 0.02 -0.14 -0.44 -1.51 0.00 0.00 177.10 175.09 3ksc s SER 381 N -1.80 4.05 -0.28 -1.22 0.01 -0.10 -1.47 113.70 112.89 3ksc s SER 381 Ca 0.43 -0.26 -0.01 0.00 1.31 0.00 0.00 55.95 57.42 3ksc s SER 381 Cb -0.15 -0.81 0.05 0.00 0.21 0.00 0.00 66.02 65.32 3ksc s SER 381 CO 0.20 0.31 -0.03 -0.63 0.41 0.00 0.00 173.24 173.49 3ksc s ILE 382 N -0.84 2.83 -0.31 1.44 -1.09 0.37 -0.47 121.20 123.13 3ksc s ILE 382 Ca 0.13 -1.36 -0.19 0.00 -2.23 0.00 0.00 60.65 57.00 3ksc s ILE 382 Cb -0.11 -2.60 -0.01 0.00 -1.58 0.00 0.00 42.46 38.16 3ksc s ILE 382 CO 0.03 -0.04 0.57 -0.63 -1.23 0.00 0.00 174.94 173.64 3ksc s ILE 383 N 1.24 4.99 -0.18 2.92 1.01 0.38 -0.90 121.20 130.65 3ksc s ILE 383 Ca -0.05 0.69 -0.03 0.00 0.00 0.00 0.00 60.65 61.26 3ksc s ILE 383 Cb -0.19 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.31 3ksc s ILE 383 CO -0.02 -0.12 -0.06 -0.47 0.00 0.00 0.00 174.94 174.26 3ksc s TYR 384 N 2.49 2.93 -0.07 3.97 5.04 0.11 0.33 117.35 132.15 3ksc s TYR 384 Ca 0.22 -0.73 -0.24 0.00 -2.44 0.00 0.00 57.07 53.89 3ksc s TYR 384 Cb -0.15 -2.01 -0.04 0.00 0.35 0.00 0.00 41.96 40.11 3ksc s TYR 384 CO 0.12 -0.36 0.71 0.00 -1.34 0.00 0.00 175.55 174.68 3ksc s ALA 385 N 0.97 3.35 -0.21 3.97 0.00 -0.89 -0.93 121.76 128.01 3ksc s ALA 385 Ca -0.00 0.12 0.12 0.00 0.00 0.00 0.00 51.96 52.20 3ksc s ALA 385 Cb -0.15 -2.97 -0.22 0.00 0.00 0.00 0.00 23.12 19.78 3ksc s ALA 385 CO 0.00 -0.14 -0.03 1.28 0.00 0.00 0.00 175.76 176.87 3ksc n LEU 386 N 3.89 1.00 -3.68 0.00 4.77 0.26 -0.52 117.00 122.71 3ksc n LEU 386 Ca -0.01 -0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.81 3ksc n LEU 386 Cb 0.51 0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.54 3ksc n LEU 386 CO 0.47 0.63 0.22 -0.75 -1.33 0.00 0.00 177.39 176.63 3ksc s LYS 387 N -2.49 0.60 2.14 3.23 2.47 -0.90 -4.75 119.74 120.04 3ksc s LYS 387 Ca -0.18 0.86 0.00 0.00 -1.56 0.00 0.00 55.97 55.09 3ksc s LYS 387 Cb 0.07 0.20 0.00 0.00 -1.46 0.00 0.00 37.83 36.64 3ksc s LYS 387 CO 0.73 -0.11 0.00 0.41 0.16 0.00 0.00 175.35 176.54 3ksc n GLY 388 N 3.42 -0.64 3.29 5.54 0.00 -1.24 -2.04 105.19 113.52 3ksc n GLY 388 Ca -0.17 -1.07 -0.18 0.00 0.00 0.00 0.00 46.02 44.59 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 1.17 -0.01 1.61 0.52 -1.26 -1.35 118.95 119.63 3ksc s ARG 389 Ca 0.00 -1.41 -0.07 0.00 -0.52 0.00 0.00 55.73 53.73 3ksc s ARG 389 Cb 0.00 -1.00 0.00 0.00 0.52 0.00 0.00 34.95 34.48 3ksc s ARG 389 CO 0.00 0.18 0.14 0.00 0.02 0.00 0.00 175.30 175.63 3ksc s ALA 390 N -2.58 -0.32 -0.33 2.13 0.00 0.02 -1.81 121.76 118.88 3ksc s ALA 390 Ca 0.16 -0.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.87 3ksc s ALA 390 Cb -0.03 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 3ksc s ALA 390 CO 0.04 -0.19 0.50 0.50 0.00 0.00 0.00 175.76 176.61 3ksc s ARG 391 N -1.18 3.73 0.04 0.00 3.52 -0.18 -0.03 118.95 124.85 3ksc s ARG 391 Ca -0.13 -0.07 0.06 0.00 -0.13 0.00 0.00 55.73 55.47 3ksc s ARG 391 Cb -0.07 -3.77 -0.03 0.00 -1.56 0.00 0.00 34.95 29.52 3ksc s ARG 391 CO 0.01 -0.56 -0.15 -0.51 -0.81 0.00 0.00 175.30 173.28 3ksc s LEU 392 N 2.34 2.74 -0.01 -0.88 1.02 -0.66 -0.47 118.68 122.76 3ksc s LEU 392 Ca 0.19 -0.37 0.06 0.00 0.02 0.00 0.00 54.13 54.02 3ksc s LEU 392 Cb -0.16 -1.59 -0.02 0.00 0.02 0.00 0.00 46.19 44.44 3ksc s LEU 392 CO 0.12 0.25 -0.19 -1.10 0.02 0.00 0.00 176.35 175.46 3ksc s GLN 393 N -1.49 1.51 -0.03 1.70 -0.21 -0.38 -2.93 119.66 117.83 3ksc s GLN 393 Ca 0.16 -0.69 0.02 0.00 0.02 0.00 0.00 55.36 54.86 3ksc s GLN 393 Cb -0.11 -1.47 0.01 0.00 1.00 0.00 0.00 33.01 32.44 3ksc s GLN 393 CO 0.06 0.40 -0.06 0.54 -2.12 0.00 0.00 175.29 174.11 3ksc s VAL 394 N -0.47 0.58 0.09 1.09 0.11 -0.93 -1.49 120.40 119.38 3ksc s VAL 394 Ca 0.07 -0.22 0.10 0.00 -2.93 0.00 0.00 61.98 59.00 3ksc s VAL 394 Cb -0.07 -0.55 -0.03 0.00 -1.53 0.00 0.00 36.38 34.19 3ksc s VAL 394 CO -0.01 0.21 -0.26 0.68 -3.33 0.00 0.00 175.10 172.39 3ksc s VAL 395 N 0.45 2.14 0.00 2.04 -7.23 -0.40 -1.34 120.40 116.05 3ksc s VAL 395 Ca -0.06 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 3ksc s VAL 395 Cb -0.10 -1.87 0.00 0.00 0.56 0.00 0.00 36.38 34.97 3ksc s VAL 395 CO 0.00 0.17 0.00 -0.46 -0.31 0.00 0.00 175.10 174.51 3ksc n ASN 396 N 1.27 0.00 -0.10 4.85 0.23 -0.86 -2.10 115.26 118.55 3ksc n ASN 396 Ca -0.18 -0.07 0.15 0.00 -0.53 0.00 0.00 54.58 53.95 3ksc n ASN 396 Cb 0.53 0.00 0.84 0.00 -2.08 0.00 0.00 39.78 39.07 3ksc n ASN 396 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ksc n ASN 398 N -0.79 3.01 -0.56 0.00 5.03 -1.26 -4.95 115.26 115.75 3ksc n ASN 398 Ca 0.22 -2.52 -0.07 0.00 0.87 0.00 0.00 54.58 53.08 3ksc n ASN 398 Cb 0.17 -0.33 -0.03 0.00 -1.02 0.00 0.00 39.78 38.57 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 -0.32 0.92 3.86 7.41 0.00 -1.21 -5.01 105.19 110.85 3ksc n GLY 399 Ca 0.14 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.75 6.70 -0.69 1.61 0.02 -1.26 -4.92 114.94 113.66 3ksc s ASN 400 Ca 0.00 0.88 -0.21 0.00 -1.02 0.00 0.00 52.86 52.51 3ksc s ASN 400 Cb 0.00 -2.21 0.09 0.00 0.02 0.00 0.00 41.25 39.14 3ksc s ASN 400 CO 0.00 0.15 0.95 -0.89 0.02 0.00 0.00 177.10 177.33 3ksc s THR 401 N -1.41 4.47 -0.51 1.60 2.01 -1.26 -2.03 115.64 118.51 3ksc s THR 401 Ca 0.34 -0.66 0.24 0.00 0.31 0.00 0.00 61.69 61.92 3ksc s THR 401 Cb -0.14 -4.67 0.26 0.00 0.01 0.00 0.00 72.50 67.96 3ksc s THR 401 CO 0.18 -1.41 1.56 -0.37 -0.69 0.00 0.00 174.62 173.89 3ksc h VAL 402 N 5.95 0.00 -3.53 3.82 -1.51 -1.42 -3.43 116.25 116.11 3ksc h VAL 402 Ca -0.22 -0.81 -0.20 0.00 -1.23 0.00 0.00 66.70 64.23 3ksc h VAL 402 Cb 1.07 1.71 -0.27 0.00 -2.13 0.00 0.00 31.29 31.67 3ksc h VAL 402 CO 1.16 0.00 -0.62 0.12 -1.23 0.00 0.00 177.57 177.00 3ksc s PHE 403 N -3.20 -0.08 -0.48 5.19 5.36 -1.19 0.01 117.98 123.59 3ksc s PHE 403 Ca 0.07 0.20 0.05 0.00 -0.96 0.00 0.00 56.93 56.29 3ksc s PHE 403 Cb 0.08 0.02 0.22 0.00 -0.34 0.00 0.00 43.02 43.00 3ksc s PHE 403 CO 0.67 -0.06 0.86 -3.47 -1.46 0.00 0.00 175.22 171.76 3ksc n ASP 404 N 2.95 -2.93 0.00 6.13 2.03 -1.25 -2.19 116.55 121.27 3ksc n ASP 404 Ca -0.13 -2.78 0.00 0.00 0.52 0.00 0.00 54.79 52.40 3ksc n ASP 404 Cb 0.59 1.62 0.00 0.00 -0.72 0.00 0.00 41.12 42.61 3ksc n ASP 404 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ksc n GLY 405 N 2.37 1.56 3.77 0.27 0.00 -1.15 -5.02 105.19 106.98 3ksc n GLY 405 Ca 0.13 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 3ksc n GLY 405 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ksc s GLU 406 N 1.15 4.06 -0.32 1.61 2.02 -1.26 -1.65 118.70 124.31 3ksc s GLU 406 Ca 0.00 0.09 -0.09 0.00 0.02 0.00 0.00 54.97 54.99 3ksc s GLU 406 Cb 0.00 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 30.88 3ksc s GLU 406 CO 0.00 0.41 0.15 -1.17 0.02 0.00 0.00 175.26 174.67 3ksc s LEU 407 N -0.05 4.17 0.22 1.80 2.96 0.96 -4.91 118.68 123.82 3ksc s LEU 407 Ca 0.17 -0.67 0.11 0.00 -0.22 0.00 0.00 54.13 53.52 3ksc s LEU 407 Cb -0.13 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 3ksc s LEU 407 CO 0.05 -0.23 -0.17 -1.83 -1.32 0.00 0.00 176.35 172.85 3ksc s GLU 408 N 1.57 1.78 -0.26 1.98 -1.05 -1.26 -0.80 118.70 120.66 3ksc s GLU 408 Ca 0.03 -1.49 -0.39 0.00 -0.15 0.00 0.00 54.97 52.97 3ksc s GLU 408 Cb -0.18 -1.95 -0.18 0.00 -0.44 0.00 0.00 34.13 31.39 3ksc s GLU 408 CO 0.05 0.39 1.22 0.00 0.95 0.00 0.00 175.26 177.87 3ksc n ALA 409 N -0.10 -2.04 0.00 -0.84 0.00 -0.46 -2.05 120.51 115.02 3ksc n ALA 409 Ca -0.10 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3ksc n ALA 409 Cb 0.57 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 2.63 0.42 3.58 0.00 0.00 0.32 -4.97 105.19 107.18 3ksc n GLY 410 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.72 2.39 -0.00 1.61 0.52 -0.87 -4.45 118.95 117.42 3ksc s ARG 411 Ca 0.00 -0.84 0.02 0.00 -0.52 0.00 0.00 55.73 54.39 3ksc s ARG 411 Cb 0.00 -2.42 -0.04 0.00 0.52 0.00 0.00 34.95 33.01 3ksc s ARG 411 CO 0.00 0.56 -0.01 0.00 0.02 0.00 0.00 175.30 175.88 3ksc s ALA 412 N -1.08 3.24 -0.00 2.13 0.00 0.52 -2.10 121.76 124.47 3ksc s ALA 412 Ca 0.19 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.22 3ksc s ALA 412 Cb -0.11 -1.32 -0.01 0.00 0.00 0.00 0.00 23.12 21.68 3ksc s ALA 412 CO 0.10 0.64 -0.10 -1.17 0.00 0.00 0.00 175.76 175.23 3ksc s LEU 413 N -1.50 2.03 -0.17 0.00 2.96 0.15 -1.51 118.68 120.63 3ksc s LEU 413 Ca 0.19 -0.19 -0.13 0.00 -0.22 0.00 0.00 54.13 53.78 3ksc s LEU 413 Cb -0.11 -0.49 -0.05 0.00 0.50 0.00 0.00 46.19 46.04 3ksc s LEU 413 CO 0.09 0.11 0.27 -0.89 -1.32 0.00 0.00 176.35 174.61 3ksc s THR 414 N -0.27 5.32 -0.34 3.68 2.01 -1.26 0.14 115.64 124.92 3ksc s THR 414 Ca 0.03 0.50 -0.00 0.00 0.31 0.00 0.00 61.69 62.53 3ksc s THR 414 Cb -0.04 -3.61 0.08 0.00 0.01 0.00 0.00 72.50 68.94 3ksc s THR 414 CO -0.00 0.39 0.07 -0.69 -0.69 0.00 0.00 174.62 173.69 3ksc s VAL 415 N 0.52 2.84 0.73 3.82 1.01 0.38 -4.97 120.40 124.74 3ksc s VAL 415 Ca 0.15 -1.87 -0.14 0.00 0.00 0.00 0.00 61.98 60.12 3ksc s VAL 415 Cb -0.13 -2.85 0.04 0.00 0.00 0.00 0.00 36.38 33.44 3ksc s VAL 415 CO 0.03 -0.42 1.16 -2.84 0.00 0.00 0.00 175.10 173.04 3ksc s PRO 416 N 1.12 2.21 0.11 2.72 0.02 -1.26 -0.92 135.00 139.00 3ksc s PRO 416 Ca 0.03 1.57 -0.35 0.00 0.02 0.00 0.00 61.00 62.27 3ksc s PRO 416 Cb -0.21 -1.86 -0.17 0.00 0.02 0.00 0.00 34.50 32.28 3ksc s PRO 416 CO -0.04 -1.74 1.12 0.94 -0.33 0.00 0.00 177.00 176.95 3ksc n GLN 417 N -2.88 0.77 0.00 5.54 7.27 -1.20 -1.88 117.38 125.01 3ksc n GLN 417 Ca 0.12 0.27 0.00 0.00 0.07 0.00 0.00 57.00 57.46 3ksc n GLN 417 Cb 0.51 -1.76 0.00 0.00 2.41 0.00 0.00 30.24 31.41 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 2.00 0.00 -4.74 1.69 5.03 -0.24 -4.97 115.26 114.04 3ksc n ASN 418 Ca 0.17 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.21 3ksc n ASN 418 Cb 0.19 -0.27 -0.03 0.00 -1.02 0.00 0.00 39.78 38.65 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 -2.49 3.42 0.24 3.10 1.51 -0.79 -4.85 117.35 117.50 3ksc s TYR 419 Ca 0.00 1.41 -0.29 0.00 -1.01 0.00 0.00 57.07 57.18 3ksc s TYR 419 Cb 0.00 -3.44 -0.09 0.00 -0.11 0.00 0.00 41.96 38.33 3ksc s TYR 419 CO 0.00 -1.22 0.93 0.00 -1.11 0.00 0.00 175.55 174.14 3ksc s ALA 420 N -0.02 3.34 0.02 3.71 0.00 -0.89 -4.37 121.76 123.55 3ksc s ALA 420 Ca 0.53 0.59 0.03 0.00 0.00 0.00 0.00 51.96 53.11 3ksc s ALA 420 Cb -0.33 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 3ksc s ALA 420 CO 0.36 0.21 -0.10 0.54 0.00 0.00 0.00 175.76 176.78 3ksc s VAL 421 N -1.21 0.77 0.11 0.00 0.11 0.25 -1.28 120.40 119.14 3ksc s VAL 421 Ca 0.41 -0.73 -0.07 0.00 -2.93 0.00 0.00 61.98 58.66 3ksc s VAL 421 Cb -0.25 -0.71 -0.01 0.00 -1.53 0.00 0.00 36.38 33.88 3ksc s VAL 421 CO 0.31 -0.01 0.18 0.00 -3.33 0.00 0.00 175.10 172.25 3ksc s ALA 422 N -0.68 -0.01 -0.20 1.54 0.00 -0.56 -0.76 121.76 121.10 3ksc s ALA 422 Ca -0.00 -0.81 -0.19 0.00 0.00 0.00 0.00 51.96 50.95 3ksc s ALA 422 Cb -0.06 0.58 0.05 0.00 0.00 0.00 0.00 23.12 23.69 3ksc s ALA 422 CO 0.00 -0.53 0.54 0.00 0.00 0.00 0.00 175.76 175.78 3ksc s ALA 423 N -3.91 -1.34 -0.15 0.00 0.00 -1.23 -1.24 121.76 113.88 3ksc s ALA 423 Ca 0.10 1.50 -0.00 0.00 0.00 0.00 0.00 51.96 53.55 3ksc s ALA 423 Cb 0.05 -0.85 0.04 0.00 0.00 0.00 0.00 23.12 22.36 3ksc s ALA 423 CO -0.07 -0.26 -0.07 0.21 0.00 0.00 0.00 175.76 175.57 3ksc s LYS 424 N 0.21 1.54 0.31 0.00 2.20 0.37 -2.29 119.74 122.08 3ksc s LYS 424 Ca -0.01 -0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 54.86 3ksc s LYS 424 Cb -0.04 -1.90 -0.11 0.00 -1.51 0.00 0.00 37.83 34.27 3ksc s LYS 424 CO 0.01 -0.37 1.49 0.45 -0.36 0.00 0.00 175.35 176.57 3ksc s SER 425 N 1.64 6.49 0.00 1.43 0.15 -0.50 -1.01 113.70 121.89 3ksc s SER 425 Ca 0.02 2.87 0.10 0.00 0.70 0.00 0.00 55.95 59.64 3ksc s SER 425 Cb -0.14 -2.64 0.14 0.00 -1.71 0.00 0.00 66.02 61.66 3ksc s SER 425 CO -0.08 -0.80 0.94 0.18 1.20 0.00 0.00 173.24 174.68 3ksc n LEU 426 N 1.65 2.13 -4.53 3.45 4.77 -0.75 -0.25 117.00 123.46 3ksc n LEU 426 Ca 0.05 -1.31 -0.24 0.00 -0.03 0.00 0.00 56.01 54.48 3ksc n LEU 426 Cb 0.39 -0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.33 3ksc n LEU 426 CO 0.62 0.46 -0.42 -0.44 -1.33 0.00 0.00 177.39 176.29 3ksc s SER 427 N -0.88 3.90 0.40 -1.43 0.01 -1.24 -4.90 113.70 109.56 3ksc s SER 427 Ca 0.14 -0.94 0.19 0.00 1.31 0.00 0.00 55.95 56.65 3ksc s SER 427 Cb 0.09 -0.46 1.14 0.00 0.21 0.00 0.00 66.02 66.99 3ksc s SER 427 CO 0.13 -0.01 1.75 0.44 0.41 0.00 0.00 173.24 175.95 3ksc h ASP 428 N 2.11 0.43 -2.88 2.44 3.45 -1.93 -3.01 116.42 117.03 3ksc h ASP 428 Ca -0.41 0.10 -0.24 0.00 0.43 0.00 0.00 57.03 56.90 3ksc h ASP 428 Cb 1.26 0.03 -0.34 0.00 -0.56 0.00 0.00 39.33 39.72 3ksc h ASP 428 CO 0.62 0.04 -0.56 -0.60 -1.57 0.00 0.00 179.24 177.17 3ksc s ARG 429 N -5.48 0.12 -0.28 3.56 3.52 -1.26 -3.06 118.95 116.07 3ksc s ARG 429 Ca -0.09 0.66 -0.08 0.00 -0.13 0.00 0.00 55.73 56.09 3ksc s ARG 429 Cb 0.26 -0.19 -0.01 0.00 -1.56 0.00 0.00 34.95 33.45 3ksc s ARG 429 CO 0.80 -0.32 0.09 0.12 -0.81 0.00 0.00 175.30 175.18 3ksc s PHE 430 N 2.38 3.13 0.08 5.12 5.36 -0.23 -3.59 117.98 130.22 3ksc s PHE 430 Ca 0.02 -0.61 0.08 0.00 -0.96 0.00 0.00 56.93 55.46 3ksc s PHE 430 Cb -0.12 -2.27 -0.03 0.00 -0.34 0.00 0.00 43.02 40.25 3ksc s PHE 430 CO -0.08 -0.44 -0.21 -1.54 -1.46 0.00 0.00 175.22 171.49 3ksc s SER 431 N 1.58 2.50 0.08 6.13 1.04 -0.87 0.10 113.70 124.27 3ksc s SER 431 Ca 0.05 -0.61 -0.12 0.00 0.48 0.00 0.00 55.95 55.75 3ksc s SER 431 Cb -0.16 -0.17 0.01 0.00 0.10 0.00 0.00 66.02 65.81 3ksc s SER 431 CO 0.04 0.10 0.27 -0.72 0.98 0.00 0.00 173.24 173.91 3ksc s TYR 432 N -1.00 -0.01 -0.06 5.02 1.13 -0.09 -0.57 117.35 121.76 3ksc s TYR 432 Ca 0.07 -0.31 0.06 0.00 -1.41 0.00 0.00 57.07 55.47 3ksc s TYR 432 Cb -0.09 0.06 -0.01 0.00 -1.10 0.00 0.00 41.96 40.82 3ksc s TYR 432 CO 0.03 -0.57 -0.24 0.54 -2.51 0.00 0.00 175.55 172.80 3ksc s VAL 433 N -3.46 1.98 -0.19 -3.49 0.11 -0.10 -0.62 120.40 114.61 3ksc s VAL 433 Ca 0.02 -1.02 -0.00 0.00 -2.93 0.00 0.00 61.98 58.04 3ksc s VAL 433 Cb 0.02 -1.68 0.01 0.00 -1.53 0.00 0.00 36.38 33.21 3ksc s VAL 433 CO -0.09 0.55 -0.15 0.00 -3.33 0.00 0.00 175.10 172.08 3ksc s ALA 434 N -0.07 2.48 0.05 1.54 0.00 0.13 0.04 121.76 125.94 3ksc s ALA 434 Ca -0.06 -1.21 -0.19 0.00 0.00 0.00 0.00 51.96 50.50 3ksc s ALA 434 Cb -0.14 -1.35 -0.06 0.00 0.00 0.00 0.00 23.12 21.57 3ksc s ALA 434 CO 0.04 -0.39 0.55 -0.06 0.00 0.00 0.00 175.76 175.90 3ksc s PHE 435 N 1.34 3.78 -0.03 0.00 0.08 -0.08 -0.80 117.98 122.29 3ksc s PHE 435 Ca 0.05 1.23 0.04 0.00 0.12 0.00 0.00 56.93 58.37 3ksc s PHE 435 Cb -0.13 -2.48 -0.00 0.00 -0.57 0.00 0.00 43.02 39.83 3ksc s PHE 435 CO -0.10 0.57 -0.14 0.15 -0.10 0.00 0.00 175.22 175.60 3ksc s LYS 436 N -0.99 1.32 -0.09 0.44 1.02 -0.17 -0.48 119.74 120.79 3ksc s LYS 436 Ca 0.28 -0.49 -0.06 0.00 0.02 0.00 0.00 55.97 55.72 3ksc s LYS 436 Cb -0.19 -1.22 -0.24 0.00 -0.52 0.00 0.00 37.83 35.67 3ksc s LYS 436 CO 0.18 0.24 3.31 0.25 -0.92 0.00 0.00 175.35 178.41 3ksc n THR 437 N 3.01 2.80 -3.64 2.17 -2.24 -0.54 -1.84 114.28 113.99 3ksc n THR 437 Ca -0.17 -1.42 -0.06 0.00 -2.27 0.00 0.00 64.05 60.13 3ksc n THR 437 Cb 0.54 -1.99 -0.07 0.00 -2.10 0.00 0.00 70.33 66.72 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 2.11 -0.57 0.57 3.42 3.84 -0.66 -4.70 114.94 118.95 3ksc s ASN 438 Ca 0.61 0.98 0.35 0.00 0.21 0.00 0.00 52.86 55.00 3ksc s ASN 438 Cb 0.28 1.13 1.58 0.00 -0.55 0.00 0.00 41.25 43.70 3ksc s ASN 438 CO -0.00 -0.16 2.07 -2.24 -2.79 0.00 0.00 177.10 173.98 3ksc h ASP 439 N 5.48 0.00 -2.18 -4.21 2.03 -1.67 -2.92 116.42 112.95 3ksc h ASP 439 Ca -0.28 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.45 3ksc h ASP 439 Cb 1.19 0.00 -0.41 0.00 -0.83 0.00 0.00 39.33 39.28 3ksc h ASP 439 CO 0.15 0.03 -0.79 0.54 -1.03 0.00 0.00 179.24 178.15 3ksc n ARG 440 N -3.17 2.36 -2.01 4.15 5.12 -1.26 -2.09 116.66 119.75 3ksc n ARG 440 Ca -0.01 -4.36 -0.39 0.00 -1.93 0.00 0.00 57.85 51.16 3ksc n ARG 440 Cb 0.26 -2.03 -0.00 0.00 -1.16 0.00 0.00 32.46 29.52 3ksc n ARG 440 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ksc s ALA 441 N -2.80 3.24 -0.09 7.54 0.00 -1.22 -5.01 121.76 123.43 3ksc s ALA 441 Ca 0.44 1.26 0.03 0.00 0.00 0.00 0.00 51.96 53.69 3ksc s ALA 441 Cb 0.25 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.88 3ksc s ALA 441 CO -0.09 -0.89 -0.18 0.20 0.00 0.00 0.00 175.76 174.80 3ksc s GLY 442 N -0.72 1.07 -0.00 0.00 0.00 -1.26 -5.05 107.32 101.36 3ksc s GLY 442 Ca 0.58 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 44.58 3ksc s GLY 442 CO 0.50 -0.02 0.04 -0.26 0.00 0.00 0.00 173.10 173.36 3ksc s ILE 443 N 0.64 4.43 -0.22 0.90 -4.36 -1.26 -0.14 121.20 121.18 3ksc s ILE 443 Ca -0.14 -0.51 -0.04 0.00 -0.26 0.00 0.00 60.65 59.70 3ksc s ILE 443 Cb -0.16 -3.00 -0.00 0.00 1.25 0.00 0.00 42.46 40.54 3ksc s ILE 443 CO 0.04 0.36 -0.05 0.00 0.24 0.00 0.00 174.94 175.53 3ksc s ALA 444 N -1.14 2.79 -0.02 2.27 0.00 0.09 -4.92 121.76 120.83 3ksc s ALA 444 Ca 0.21 -1.20 -0.26 0.00 0.00 0.00 0.00 51.96 50.71 3ksc s ALA 444 Cb -0.12 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 3ksc s ALA 444 CO 0.12 -0.47 0.83 1.03 0.00 0.00 0.00 175.76 177.27 3ksc s ARG 445 N 1.46 4.50 0.08 0.00 0.52 -1.26 -1.77 118.95 122.48 3ksc s ARG 445 Ca 0.05 1.14 0.26 0.00 -0.52 0.00 0.00 55.73 56.66 3ksc s ARG 445 Cb -0.14 -3.44 0.62 0.00 0.52 0.00 0.00 34.95 32.51 3ksc s ARG 445 CO -0.04 0.06 1.53 1.28 0.02 0.00 0.00 175.30 178.15 3ksc n LEU 446 N 3.65 0.53 -3.90 2.53 4.32 0.16 -1.04 117.00 123.26 3ksc n LEU 446 Ca 0.02 0.27 -0.09 0.00 -0.02 0.00 0.00 56.01 56.18 3ksc n LEU 446 Cb 0.51 -0.28 -0.07 0.00 -1.62 0.00 0.00 43.42 41.96 3ksc n LEU 446 CO 0.49 -0.01 -0.08 0.00 -1.22 0.00 0.00 177.39 176.57 3ksc s ALA 447 N -3.08 -0.12 0.00 -1.18 0.00 -1.25 -4.52 121.76 111.61 3ksc s ALA 447 Ca 0.10 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.32 3ksc s ALA 447 Cb 0.15 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.90 3ksc s ALA 447 CO 0.66 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 176.28 3ksc n GLY 448 N -0.11 0.29 0.22 0.00 0.00 -1.26 -4.64 105.19 99.68 3ksc n GLY 448 Ca -0.12 -2.06 -0.09 0.00 0.00 0.00 0.00 46.02 43.75 3ksc n GLY 448 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3ksc h THR 449 N 0.00 1.21 -1.03 2.61 1.35 -1.49 -2.88 112.91 112.67 3ksc h THR 449 Ca 0.00 -0.68 -0.54 0.00 -0.55 0.00 0.00 66.41 64.64 3ksc h THR 449 Cb 0.00 0.81 -0.21 0.00 -1.73 0.00 0.00 68.15 67.02 3ksc h THR 449 CO 0.00 0.25 0.65 -1.20 -0.25 0.00 0.00 175.52 174.97 3ksc n SER 450 N -4.57 7.00 -4.92 5.36 7.64 -1.26 -4.77 113.62 118.10 3ksc n SER 450 Ca 0.01 -3.43 -0.27 0.00 1.01 0.00 0.00 58.87 56.19 3ksc n SER 450 Cb 0.17 -1.08 -0.01 0.00 -1.01 0.00 0.00 64.21 62.27 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 -0.54 6.31 0.30 6.43 1.04 -1.09 -4.62 113.70 121.53 3ksc s SER 451 Ca 0.51 0.75 0.05 0.00 0.48 0.00 0.00 55.95 57.74 3ksc s SER 451 Cb 0.39 -2.17 0.72 0.00 0.10 0.00 0.00 66.02 65.06 3ksc s SER 451 CO -0.13 -0.42 1.78 0.58 0.98 0.00 0.00 173.24 176.03 3ksc h VAL 452 N 0.61 0.73 -0.25 5.02 2.07 -1.35 -1.69 116.25 121.39 3ksc h VAL 452 Ca -0.48 -0.27 -0.18 0.00 0.82 0.00 0.00 66.70 66.59 3ksc h VAL 452 Cb 1.21 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3ksc h VAL 452 CO 0.62 0.14 -0.56 0.40 0.02 0.00 0.00 177.57 178.20 3ksc h ILE 453 N 0.79 1.29 -0.08 4.57 2.04 -1.82 -2.81 117.51 121.49 3ksc h ILE 453 Ca 0.57 -1.76 0.02 0.00 1.00 0.00 0.00 64.86 64.69 3ksc h ILE 453 Cb 0.85 1.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.61 3ksc h ILE 453 CO -0.37 0.57 0.06 0.78 0.00 0.00 0.00 178.15 179.18 3ksc h ASN 454 N 0.59 0.00 -0.04 1.72 2.35 -1.63 -2.61 115.58 115.96 3ksc h ASN 454 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3ksc h ASN 454 Cb 1.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.51 3ksc h ASN 454 CO 0.12 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.49 3ksc n ASN 455 N -4.49 1.93 -4.84 5.81 4.13 -0.91 -4.84 115.26 112.04 3ksc n ASN 455 Ca -0.01 -1.65 -0.35 0.00 1.68 0.00 0.00 54.58 54.25 3ksc n ASN 455 Cb 0.17 -0.01 -0.06 0.00 -1.54 0.00 0.00 39.78 38.34 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 -1.96 4.33 0.30 3.41 1.43 -0.99 -5.03 118.68 120.17 3ksc s LEU 456 Ca 0.35 1.15 -0.29 0.00 -1.03 0.00 0.00 54.13 54.31 3ksc s LEU 456 Cb 0.21 -3.36 -0.13 0.00 0.03 0.00 0.00 46.19 42.94 3ksc s LEU 456 CO 0.32 0.08 1.33 -2.65 0.23 0.00 0.00 176.35 175.66 3ksc n PRO 457 N 0.74 2.09 -0.31 1.29 -0.02 -1.26 -4.82 135.00 132.71 3ksc n PRO 457 Ca -0.04 0.74 0.15 0.00 -2.02 0.00 0.00 63.50 62.32 3ksc n PRO 457 Cb 0.52 -2.35 0.33 0.00 -0.02 0.00 0.00 33.50 31.98 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 3.22 0.29 -0.49 2.45 5.85 -1.93 -1.64 115.31 123.05 3ksc h LEU 458 Ca -0.45 0.17 -0.16 0.00 0.84 0.00 0.00 57.88 58.28 3ksc h LEU 458 Cb 1.28 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 3ksc h LEU 458 CO 0.68 -0.06 -0.51 0.44 -0.34 0.00 0.00 178.44 178.65 3ksc h ASP 459 N 0.34 0.72 0.28 1.25 5.19 -1.98 0.26 116.42 122.48 3ksc h ASP 459 Ca 0.59 -0.37 -0.11 0.00 -0.62 0.00 0.00 57.03 56.52 3ksc h ASP 459 Cb 1.18 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.47 3ksc h ASP 459 CO -0.57 1.10 -0.43 -0.37 -3.12 0.00 0.00 179.24 175.85 3ksc h VAL 460 N 0.51 1.32 0.43 -1.35 -1.51 -1.70 -0.86 116.25 113.09 3ksc h VAL 460 Ca 0.02 -1.55 -0.02 0.00 -1.23 0.00 0.00 66.70 63.92 3ksc h VAL 460 Cb 1.06 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 31.95 3ksc h VAL 460 CO 0.10 0.46 -0.21 0.58 -1.23 0.00 0.00 177.57 177.27 3ksc h VAL 461 N 0.16 0.57 -0.44 7.19 2.07 -0.85 0.50 116.25 125.46 3ksc h VAL 461 Ca 0.01 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.51 3ksc h VAL 461 Cb 0.83 0.62 -0.09 0.00 -1.52 0.00 0.00 31.29 31.13 3ksc h VAL 461 CO 0.06 0.02 -0.38 0.00 0.02 0.00 0.00 177.57 177.29 3ksc h ALA 462 N -0.09 -0.29 -0.39 1.67 0.00 -0.78 -2.23 119.26 117.15 3ksc h ALA 462 Ca -0.06 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3ksc h ALA 462 Cb 0.48 0.82 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3ksc h ALA 462 CO 0.10 -0.79 -0.08 0.00 0.00 0.00 0.00 179.25 178.48 3ksc h ALA 463 N 0.62 1.13 -0.40 0.00 0.00 -0.98 -0.06 119.26 119.57 3ksc h ALA 463 Ca 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3ksc h ALA 463 Cb 0.56 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3ksc h ALA 463 CO -0.58 0.55 0.22 1.15 0.00 0.00 0.00 179.25 180.58 3ksc h THR 464 N 0.62 1.16 -0.16 0.00 2.02 0.54 -3.24 112.91 113.84 3ksc h THR 464 Ca 0.11 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.88 3ksc h THR 464 Cb 0.50 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3ksc h THR 464 CO 0.03 0.16 0.00 0.49 0.37 0.00 0.00 175.52 176.57 3ksc n PHE 465 N -4.72 0.20 -3.40 3.16 3.72 -0.89 -4.99 117.46 110.54 3ksc n PHE 465 Ca 0.00 -0.17 -0.19 0.00 -0.05 0.00 0.00 57.45 57.04 3ksc n PHE 465 Cb 0.09 -0.01 0.07 0.00 -0.94 0.00 0.00 39.48 38.69 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 0.76 -5.00 -4.41 4.37 5.15 -0.18 -5.02 115.26 110.93 3ksc n ASN 466 Ca 0.10 -0.75 -0.29 0.00 -0.60 0.00 0.00 54.58 53.04 3ksc n ASN 466 Cb 0.39 -4.79 -0.13 0.00 -0.53 0.00 0.00 39.78 34.72 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 -5.88 2.40 0.78 1.20 1.43 -0.33 -5.04 118.68 113.24 3ksc s LEU 467 Ca 0.33 -0.73 -0.13 0.00 -1.03 0.00 0.00 54.13 52.57 3ksc s LEU 467 Cb -0.06 -1.27 0.07 0.00 0.03 0.00 0.00 46.19 44.96 3ksc s LEU 467 CO 0.77 0.17 1.16 -1.10 0.23 0.00 0.00 176.35 177.58 3ksc s GLN 468 N -2.13 1.90 0.16 1.70 -0.21 -1.26 -4.59 119.66 115.23 3ksc s GLN 468 Ca 0.15 1.55 -0.21 0.00 0.02 0.00 0.00 55.36 56.88 3ksc s GLN 468 Cb -0.10 -1.83 0.07 0.00 1.00 0.00 0.00 33.01 32.16 3ksc s GLN 468 CO 0.07 -1.97 1.63 0.00 -2.12 0.00 0.00 175.29 172.90 3ksc h ARG 469 N -0.88 -0.17 -0.03 2.91 3.08 -1.95 -0.51 114.38 116.82 3ksc h ARG 469 Ca -0.45 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.60 3ksc h ARG 469 Cb 1.27 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.36 3ksc h ARG 469 CO 0.48 -0.12 -0.01 -2.95 -1.07 0.00 0.00 179.97 176.31 3ksc h ASN 470 N -0.18 0.04 0.46 7.04 -1.07 -1.99 -0.55 115.58 119.32 3ksc h ASN 470 Ca 0.17 -0.00 -0.25 0.00 0.07 0.00 0.00 56.30 56.30 3ksc h ASN 470 Cb 0.45 -0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.69 3ksc h ASN 470 CO -0.45 0.05 -1.07 -0.33 0.07 0.00 0.00 177.43 175.70 3ksc h GLU 471 N 0.04 0.35 -0.51 4.14 5.08 -1.70 -2.74 114.58 119.25 3ksc h GLU 471 Ca 0.01 -0.45 -0.05 0.00 -1.00 0.00 0.00 59.36 57.87 3ksc h GLU 471 Cb 0.04 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3ksc h GLU 471 CO 0.00 1.15 0.12 0.00 -1.00 0.00 0.00 179.01 179.28 3ksc h ALA 472 N 0.67 1.26 -0.65 3.43 0.00 -0.25 -1.88 119.26 121.84 3ksc h ALA 472 Ca -0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3ksc h ALA 472 Cb 1.74 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 3ksc h ALA 472 CO 0.18 0.52 0.35 -0.09 0.00 0.00 0.00 179.25 180.21 3ksc h ARG 473 N 0.75 0.91 -0.71 0.00 2.43 -1.06 -2.08 114.38 114.61 3ksc h ARG 473 Ca 0.17 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3ksc h ARG 473 Cb 0.28 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 3ksc h ARG 473 CO -0.00 0.69 0.27 1.96 -1.51 0.00 0.00 179.97 181.38 3ksc h GLN 474 N 0.89 1.07 -0.20 0.20 4.20 -1.14 0.83 115.11 120.96 3ksc h GLN 474 Ca 0.23 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3ksc h GLN 474 Cb 0.05 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 3ksc h GLN 474 CO -0.04 0.89 0.13 1.25 -0.67 0.00 0.00 178.83 180.40 3ksc h LEU 475 N 1.02 0.22 0.23 1.46 5.85 -0.90 0.98 115.31 124.18 3ksc h LEU 475 Ca 0.23 -0.01 -0.31 0.00 0.84 0.00 0.00 57.88 58.63 3ksc h LEU 475 Cb 0.23 -0.06 0.03 0.00 0.37 0.00 0.00 40.66 41.24 3ksc h LEU 475 CO -0.02 0.16 -1.40 0.11 -0.34 0.00 0.00 178.44 176.95 3ksc h LYS 476 N 0.26 0.49 0.00 1.25 1.57 -0.70 -3.43 116.57 116.01 3ksc h LYS 476 Ca 0.07 -0.84 -0.28 0.00 -1.87 0.00 0.00 60.65 57.73 3ksc h LYS 476 Cb -0.02 0.31 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 3ksc h LYS 476 CO -0.02 1.40 -2.07 0.43 -0.57 0.00 0.00 179.45 178.63 3ksc n SER 477 N -3.78 1.38 -0.15 0.86 7.64 0.22 -4.60 113.62 115.20 3ksc n SER 477 Ca -0.17 -0.02 0.15 0.00 1.01 0.00 0.00 58.87 59.84 3ksc n SER 477 Cb 1.06 0.71 0.51 0.00 -1.01 0.00 0.00 64.21 65.48 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 0.37 -3.38 6.43 4.21 -1.05 -3.36 115.58 118.80 3ksc h ASN 478 Ca -0.42 0.02 -0.72 0.00 1.21 0.00 0.00 56.30 56.39 3ksc h ASN 478 Cb 1.91 -0.05 -0.21 0.00 -1.12 0.00 0.00 38.32 38.85 3ksc h ASN 478 CO 0.01 0.19 -0.30 0.21 -1.29 0.00 0.00 177.43 176.25 3ksc s ASN 479 N -5.99 6.15 0.00 5.81 2.47 -1.26 -4.93 114.94 117.18 3ksc s ASN 479 Ca -0.08 -1.09 0.28 0.00 0.42 0.00 0.00 52.86 52.40 3ksc s ASN 479 Cb 0.21 -2.19 1.09 0.00 -1.45 0.00 0.00 41.25 38.91 3ksc s ASN 479 CO 0.76 -0.61 1.82 -2.65 -3.72 0.00 0.00 177.10 172.70 3ksc n PRO 480 N 5.35 0.04 -3.40 0.43 -0.02 -1.26 -3.81 135.00 132.33 3ksc n PRO 480 Ca -0.11 -0.01 -0.25 0.00 -2.02 0.00 0.00 63.50 61.12 3ksc n PRO 480 Cb 0.45 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.42 3ksc n PRO 480 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3ksc s PHE 481 N -2.97 3.50 -0.12 6.00 0.08 -1.26 -4.73 117.98 118.49 3ksc s PHE 481 Ca 0.14 0.39 -0.05 0.00 0.12 0.00 0.00 56.93 57.54 3ksc s PHE 481 Cb 0.19 -1.92 -0.02 0.00 -0.57 0.00 0.00 43.02 40.70 3ksc s PHE 481 CO 0.56 0.15 -0.09 -0.22 -0.10 0.00 0.00 175.22 175.52 3ksc h LYS 482 N 0.99 0.00 0.00 0.44 3.64 -1.93 -2.21 116.57 117.50 3ksc h LYS 482 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3ksc h LYS 482 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3ksc h LYS 482 CO 0.63 0.00 -0.86 0.34 -2.27 0.00 0.00 179.45 177.28 3ksc n PHE 483 N -4.58 0.00 -3.35 1.91 7.35 -1.26 -4.25 117.46 113.28 3ksc n PHE 483 Ca -0.04 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.31 3ksc n PHE 483 Cb 0.13 0.02 -0.06 0.00 0.35 0.00 0.00 39.48 39.92 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 -5.00 4.32 -0.04 -2.13 1.02 -1.26 -1.21 118.68 114.39 3ksc s LEU 484 Ca 0.00 1.07 0.02 0.00 0.02 0.00 0.00 54.13 55.24 3ksc s LEU 484 Cb 0.00 -3.33 0.01 0.00 0.02 0.00 0.00 46.19 42.89 3ksc s LEU 484 CO 0.00 0.08 -0.07 0.54 0.02 0.00 0.00 176.35 176.91 3ksc s VAL 485 N -1.51 0.71 0.77 -1.59 0.11 0.37 -4.77 120.40 114.49 3ksc s VAL 485 Ca 0.39 -0.27 -0.11 0.00 -2.93 0.00 0.00 61.98 59.06 3ksc s VAL 485 Cb -0.15 -0.67 0.06 0.00 -1.53 0.00 0.00 36.38 34.09 3ksc s VAL 485 CO 0.19 0.24 1.10 -2.84 -3.33 0.00 0.00 175.10 170.46 3ksc s PRO 486 N 0.52 2.22 0.08 1.54 0.02 -1.26 -1.35 135.00 136.78 3ksc s PRO 486 Ca -0.08 1.21 -0.31 0.00 0.02 0.00 0.00 61.00 61.84 3ksc s PRO 486 Cb -0.12 -1.89 -0.08 0.00 0.02 0.00 0.00 34.50 32.43 3ksc s PRO 486 CO 0.01 -1.68 1.57 0.00 -0.33 0.00 0.00 177.00 176.57 3ksc s ALA 487 N -2.84 3.68 -2.00 -1.55 0.00 -1.26 -4.78 121.76 113.01 3ksc s ALA 487 Ca 0.62 1.19 0.02 0.00 0.00 0.00 0.00 51.96 53.79 3ksc s ALA 487 Cb -0.18 -3.65 0.12 0.00 0.00 0.00 0.00 23.12 19.41 3ksc s ALA 487 CO 0.55 -0.95 0.61 2.89 0.00 0.00 0.00 175.76 178.85