#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdz s PRO 12 N 0.00 4.47 0.04 1.45 0.02 -1.26 -4.21 135.00 135.51 3kdz s PRO 12 Ca 0.00 1.30 -0.30 0.00 0.02 0.00 0.00 61.00 62.02 3kdz s PRO 12 Cb 0.00 -3.50 -0.05 0.00 0.02 0.00 0.00 34.50 30.97 3kdz s PRO 12 CO 0.00 -0.16 1.07 0.08 -0.33 0.00 0.00 177.00 177.66 3kdz s VAL 13 N 1.47 4.44 -0.45 3.83 1.01 0.17 -4.85 120.40 126.02 3kdz s VAL 13 Ca 0.48 1.79 -0.24 0.00 0.00 0.00 0.00 61.98 64.01 3kdz s VAL 13 Cb -0.19 -4.15 0.03 0.00 0.00 0.00 0.00 36.38 32.07 3kdz s VAL 13 CO 0.21 0.16 0.82 -0.55 0.00 0.00 0.00 175.10 175.75 3kdz s SER 14 N 0.89 6.44 -0.99 3.32 0.15 -1.26 -1.44 113.70 120.81 3kdz s SER 14 Ca 0.54 -0.04 -0.15 0.00 0.70 0.00 0.00 55.95 57.01 3kdz s SER 14 Cb -0.25 -2.40 0.18 0.00 -1.71 0.00 0.00 66.02 61.84 3kdz s SER 14 CO 0.29 -0.94 1.09 -0.69 1.20 0.00 0.00 173.24 174.19 3kdz s VAL 15 N 3.40 5.22 -1.30 4.45 1.01 -0.84 -4.55 120.40 127.79 3kdz s VAL 15 Ca 0.32 -2.31 0.13 0.00 0.00 0.00 0.00 61.98 60.12 3kdz s VAL 15 Cb -0.12 -4.70 0.29 0.00 0.00 0.00 0.00 36.38 31.85 3kdz s VAL 15 CO 0.23 -1.35 1.19 -0.90 0.00 0.00 0.00 175.10 174.27 3kdz n ASP 16 N 5.10 2.80 -0.98 3.32 5.68 -1.26 -4.43 116.55 126.79 3kdz n ASP 16 Ca 0.24 -1.86 -0.13 0.00 -0.50 0.00 0.00 54.79 52.54 3kdz n ASP 16 Cb 0.46 -0.19 -0.05 0.00 -1.14 0.00 0.00 41.12 40.19 3kdz n ASP 16 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kdz n GLY 17 N 0.74 1.30 0.00 6.12 0.00 -1.23 -4.31 105.19 107.80 3kdz n GLY 17 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3kdz n GLY 17 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kdz n GLU 18 N -1.91 0.26 -0.02 1.61 -0.58 -1.26 -4.58 120.64 114.16 3kdz n GLU 18 Ca -0.13 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.63 3kdz n GLU 18 Cb 0.51 -0.56 0.02 0.00 -0.57 0.00 0.00 31.44 30.83 3kdz n GLU 18 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3kdz n THR 19 N -1.14 1.00 -2.04 2.62 -2.24 -1.26 -4.93 114.28 106.29 3kdz n THR 19 Ca 0.00 -1.06 -0.41 0.00 -2.27 0.00 0.00 64.05 60.31 3kdz n THR 19 Cb 0.06 0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 68.72 3kdz n THR 19 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3kdz s LEU 20 N -1.14 4.40 0.33 3.22 2.96 -1.26 -5.02 118.68 122.16 3kdz s LEU 20 Ca 0.04 2.67 0.09 0.00 -0.22 0.00 0.00 54.13 56.72 3kdz s LEU 20 Cb 0.04 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 43.05 3kdz s LEU 20 CO 0.00 -0.65 0.03 0.42 -1.32 0.00 0.00 176.35 174.83 3kdz s THR 21 N -0.35 2.78 0.19 3.68 -4.23 -1.26 -4.78 115.64 111.66 3kdz s THR 21 Ca 0.56 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 59.02 3kdz s THR 21 Cb -0.41 -2.82 0.11 0.00 1.34 0.00 0.00 72.50 70.72 3kdz s THR 21 CO 0.46 -0.22 1.85 0.58 -0.54 0.00 0.00 174.62 176.75 3kdz h VAL 22 N 1.79 1.17 -0.67 2.29 2.07 -1.93 -0.05 116.25 120.93 3kdz h VAL 22 Ca -0.43 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 3kdz h VAL 22 Cb 1.25 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3kdz h VAL 22 CO 0.65 0.17 0.20 -0.08 0.02 0.00 0.00 177.57 178.53 3kdz h GLU 23 N 0.87 1.03 -0.46 1.57 4.57 -1.96 -1.23 114.58 118.98 3kdz h GLU 23 Ca 0.23 -0.22 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3kdz h GLU 23 Cb -0.08 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.34 3kdz h GLU 23 CO -0.05 0.89 0.27 0.00 -1.18 0.00 0.00 179.01 178.95 3kdz h ALA 24 N 1.22 0.58 -0.65 2.92 0.00 -1.78 -0.56 119.26 120.99 3kdz h ALA 24 Ca 0.22 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3kdz h ALA 24 Cb 0.30 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3kdz h ALA 24 CO -0.01 0.08 0.38 0.28 0.00 0.00 0.00 179.25 179.98 3kdz h VAL 25 N 0.61 1.03 -0.67 0.00 2.07 -0.43 -1.71 116.25 117.15 3kdz h VAL 25 Ca 0.16 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 3kdz h VAL 25 Cb -0.00 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 3kdz h VAL 25 CO -0.03 0.13 0.27 0.03 0.02 0.00 0.00 177.57 177.99 3kdz h ARG 26 N 0.73 0.99 -0.30 1.57 3.08 -0.61 -0.04 114.38 119.80 3kdz h ARG 26 Ca 0.27 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 60.18 3kdz h ARG 26 Cb 0.10 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3kdz h ARG 26 CO -0.14 0.80 0.16 0.00 -1.07 0.00 0.00 179.97 179.73 3kdz h ARG 27 N 0.97 0.33 -0.40 0.04 3.08 -0.26 0.56 114.38 118.69 3kdz h ARG 27 Ca 0.23 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 3kdz h ARG 27 Cb 0.18 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3kdz h ARG 27 CO -0.02 0.22 0.15 0.28 -1.07 0.00 0.00 179.97 179.53 3kdz h VAL 28 N 0.34 1.20 -0.05 2.04 2.07 -0.95 -0.77 116.25 120.13 3kdz h VAL 28 Ca 0.12 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.94 3kdz h VAL 28 Cb 0.01 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3kdz h VAL 28 CO -0.06 0.23 -0.26 0.00 0.02 0.00 0.00 177.57 177.49 3kdz h ALA 29 N 1.00 0.10 0.10 1.67 0.00 -0.76 -2.87 119.26 118.48 3kdz h ALA 29 Ca 0.13 -0.43 -0.28 0.00 0.00 0.00 0.00 54.91 54.33 3kdz h ALA 29 Cb 0.21 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3kdz h ALA 29 CO -0.01 0.12 -1.45 0.93 0.00 0.00 0.00 179.25 178.84 3kdz h GLU 30 N -0.28 0.20 -0.58 0.00 5.08 0.03 -3.39 114.58 115.64 3kdz h GLU 30 Ca -0.02 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3kdz h GLU 30 Cb 0.93 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3kdz h GLU 30 CO 0.05 1.17 0.00 0.39 -1.00 0.00 0.00 179.01 179.62 3kdz n GLU 31 N -3.95 2.64 -3.63 2.33 -0.58 -0.38 -4.97 120.64 112.10 3kdz n GLU 31 Ca -0.27 -2.46 -0.27 0.00 -0.42 0.00 0.00 57.16 53.74 3kdz n GLU 31 Cb 0.88 -1.51 0.01 0.00 -0.57 0.00 0.00 31.44 30.25 3kdz n GLU 31 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3kdz n ARG 32 N 1.46 -4.60 -1.70 3.49 1.74 -0.71 -4.91 116.66 111.43 3kdz n ARG 32 Ca 0.21 0.59 -0.37 0.00 -0.77 0.00 0.00 57.85 57.51 3kdz n ARG 32 Cb 0.59 -5.41 0.07 0.00 -1.02 0.00 0.00 32.46 26.70 3kdz n ARG 32 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kdz s ALA 33 N -3.16 2.34 0.29 7.54 0.00 -0.80 -4.94 121.76 123.03 3kdz s ALA 33 Ca 0.54 1.19 -0.28 0.00 0.00 0.00 0.00 51.96 53.41 3kdz s ALA 33 Cb -0.27 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.20 3kdz s ALA 33 CO 0.66 -1.65 0.96 0.99 0.00 0.00 0.00 175.76 176.71 3kdz s THR 34 N -1.44 4.08 0.14 0.00 2.01 -1.26 -4.57 115.64 114.60 3kdz s THR 34 Ca 0.82 1.90 0.05 0.00 0.31 0.00 0.00 61.69 64.77 3kdz s THR 34 Cb -0.37 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 67.97 3kdz s THR 34 CO 0.41 0.30 0.11 0.68 -0.69 0.00 0.00 174.62 175.43 3kdz s VAL 35 N -1.40 4.45 -0.11 3.82 -7.23 -1.26 0.42 120.40 119.09 3kdz s VAL 35 Ca 0.46 -1.02 -0.04 0.00 -1.81 0.00 0.00 61.98 59.57 3kdz s VAL 35 Cb -0.23 -3.24 0.05 0.00 0.56 0.00 0.00 36.38 33.53 3kdz s VAL 35 CO 0.29 -0.05 0.21 -0.62 -0.31 0.00 0.00 175.10 174.62 3kdz s ASP 36 N -2.91 0.45 -0.42 4.85 2.15 -0.52 -4.87 116.67 115.40 3kdz s ASP 36 Ca 0.30 0.47 -0.23 0.00 0.43 0.00 0.00 52.55 53.52 3kdz s ASP 36 Cb -0.11 0.48 0.02 0.00 -0.30 0.00 0.00 42.92 43.02 3kdz s ASP 36 CO 0.23 -0.23 0.80 -0.69 -0.17 0.00 0.00 175.17 175.11 3kdz s VAL 37 N 2.23 4.66 0.57 1.11 1.01 -1.26 -1.99 120.40 126.72 3kdz s VAL 37 Ca 0.01 0.65 -0.21 0.00 0.00 0.00 0.00 61.98 62.43 3kdz s VAL 37 Cb -0.12 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 3kdz s VAL 37 CO -0.07 -0.62 1.29 -0.81 0.00 0.00 0.00 175.10 174.89 3kdz n PRO 38 N 6.66 1.48 -0.31 2.72 -0.04 -1.26 -4.76 135.00 139.49 3kdz n PRO 38 Ca 0.03 0.55 0.16 0.00 -0.04 0.00 0.00 63.50 64.20 3kdz n PRO 38 Cb 0.48 -2.50 0.41 0.00 -0.04 0.00 0.00 33.50 31.85 3kdz n PRO 38 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kdz h ALA 39 N 1.15 1.92 -0.86 0.55 0.00 -1.99 0.93 119.26 120.97 3kdz h ALA 39 Ca -0.50 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 3kdz h ALA 39 Cb 1.32 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 3kdz h ALA 39 CO 0.56 -0.26 0.45 1.49 0.00 0.00 0.00 179.25 181.48 3kdz h GLU 40 N 0.61 1.21 -0.38 0.00 4.81 -1.99 0.12 114.58 118.96 3kdz h GLU 40 Ca 0.53 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.57 3kdz h GLU 40 Cb 1.04 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 3kdz h GLU 40 CO -0.29 0.90 0.07 0.77 -0.73 0.00 0.00 179.01 179.73 3kdz h SER 41 N 1.20 0.60 -0.31 1.04 0.02 -1.18 -0.75 113.55 114.18 3kdz h SER 41 Ca 0.30 -0.26 0.03 0.00 -0.84 0.00 0.00 61.79 61.02 3kdz h SER 41 Cb 0.06 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 3kdz h SER 41 CO -0.04 0.70 0.12 0.40 -1.14 0.00 0.00 176.83 176.87 3kdz h ILE 42 N 0.47 0.94 -0.22 3.27 1.08 -0.90 -0.36 117.51 121.79 3kdz h ILE 42 Ca 0.12 -0.09 0.05 0.00 -0.39 0.00 0.00 64.86 64.54 3kdz h ILE 42 Cb 0.36 0.65 -0.05 0.00 -3.07 0.00 0.00 36.82 34.70 3kdz h ILE 42 CO 0.01 0.05 -0.09 0.00 -0.69 0.00 0.00 178.15 177.42 3kdz h ALA 43 N 1.18 0.09 -0.34 1.87 0.00 -0.44 0.42 119.26 122.04 3kdz h ALA 43 Ca 0.13 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3kdz h ALA 43 Cb 0.09 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3kdz h ALA 43 CO -0.12 -0.51 0.23 -0.22 0.00 0.00 0.00 179.25 178.62 3kdz h LYS 44 N -0.06 0.45 -0.55 0.00 3.64 -0.81 -1.00 116.57 118.23 3kdz h LYS 44 Ca 0.12 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.51 3kdz h LYS 44 Cb 0.24 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 3kdz h LYS 44 CO -0.26 0.30 0.31 0.00 -2.27 0.00 0.00 179.45 177.53 3kdz h ALA 45 N 1.13 0.71 -0.05 5.00 0.00 -0.46 -0.28 119.26 125.31 3kdz h ALA 45 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3kdz h ALA 45 Cb -0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3kdz h ALA 45 CO -0.03 -0.00 -0.13 0.37 0.00 0.00 0.00 179.25 179.46 3kdz h GLN 46 N 0.61 -0.18 -0.05 0.00 5.75 0.56 -0.08 115.11 121.71 3kdz h GLN 46 Ca 0.23 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.73 3kdz h GLN 46 Cb 0.08 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.68 3kdz h GLN 46 CO -0.13 -0.12 -0.02 -0.22 -2.65 0.00 0.00 178.83 175.69 3kdz h LYS 47 N -0.19 0.10 -0.81 1.69 3.64 -1.01 -2.45 116.57 117.55 3kdz h LYS 47 Ca 0.06 -0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.54 3kdz h LYS 47 Cb 0.28 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.03 3kdz h LYS 47 CO -0.16 0.46 0.53 0.66 -2.27 0.00 0.00 179.45 178.66 3kdz h SER 48 N -0.25 0.52 0.36 4.20 4.64 -0.97 -1.86 113.55 120.18 3kdz h SER 48 Ca 0.01 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3kdz h SER 48 Cb 0.42 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3kdz h SER 48 CO 0.01 0.27 -0.17 -0.09 -0.87 0.00 0.00 176.83 175.97 3kdz h ARG 49 N 0.55 -0.47 -0.78 4.77 9.65 -0.85 -1.65 114.38 125.60 3kdz h ARG 49 Ca 0.40 0.03 0.14 0.00 -1.10 0.00 0.00 59.98 59.45 3kdz h ARG 49 Cb 0.75 0.11 -0.09 0.00 -1.39 0.00 0.00 29.97 29.35 3kdz h ARG 49 CO -0.15 -0.15 0.35 1.49 2.80 0.00 0.00 179.97 184.31 3kdz h GLU 50 N -0.90 0.50 -0.41 0.20 4.81 -0.99 0.29 114.58 118.08 3kdz h GLU 50 Ca -0.05 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 3kdz h GLU 50 Cb 0.54 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 3kdz h GLU 50 CO 0.08 0.33 0.13 0.82 -0.73 0.00 0.00 179.01 179.64 3kdz h ILE 51 N 0.51 1.22 -0.46 2.32 2.04 -1.38 -2.36 117.51 119.40 3kdz h ILE 51 Ca 0.43 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 3kdz h ILE 51 Cb 0.62 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3kdz h ILE 51 CO -0.38 0.26 0.28 0.15 0.00 0.00 0.00 178.15 178.45 3kdz h PHE 52 N 0.52 0.60 -0.88 1.37 3.57 -0.02 -2.42 116.94 119.69 3kdz h PHE 52 Ca 0.13 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.72 3kdz h PHE 52 Cb 0.27 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 38.75 3kdz h PHE 52 CO 0.01 0.42 0.57 0.93 -2.23 0.00 0.00 178.31 178.01 3kdz h GLU 53 N 0.61 0.89 -0.64 1.11 5.08 -0.36 -0.22 114.58 121.05 3kdz h GLU 53 Ca 0.16 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3kdz h GLU 53 Cb -0.01 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 3kdz h GLU 53 CO -0.03 0.59 0.23 0.78 -1.00 0.00 0.00 179.01 179.57 3kdz h GLY 54 N 0.91 1.02 0.66 -3.84 0.00 -0.94 0.19 103.07 101.08 3kdz h GLY 54 Ca 0.40 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 3kdz h GLY 54 CO -0.16 0.52 -0.03 -2.22 0.00 0.00 0.00 176.54 174.65 3kdz h ILE 55 N 0.93 1.32 -0.42 2.60 2.04 -0.89 -3.22 117.51 119.87 3kdz h ILE 55 Ca 0.21 -1.02 0.02 0.00 1.00 0.00 0.00 64.86 65.07 3kdz h ILE 55 Cb 0.22 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 3kdz h ILE 55 CO -0.01 0.28 0.25 0.00 0.00 0.00 0.00 178.15 178.67 3kdz h ALA 56 N 0.63 0.54 0.00 1.87 0.00 -0.80 -1.76 119.26 119.74 3kdz h ALA 56 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kdz h ALA 56 Cb 0.46 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kdz h ALA 56 CO 0.01 -0.07 0.01 0.39 0.00 0.00 0.00 179.25 179.59 3kdz n GLU 57 N -4.84 0.00 0.00 0.00 -0.58 0.65 -0.07 120.64 115.79 3kdz n GLU 57 Ca 0.02 0.09 0.11 0.00 -0.42 0.00 0.00 57.16 56.95 3kdz n GLU 57 Cb 0.06 -1.51 0.04 0.00 -0.57 0.00 0.00 31.44 29.46 3kdz n GLU 57 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3kdz n GLN 58 N -1.04 1.68 -1.57 3.49 6.02 -0.66 -4.98 117.38 120.32 3kdz n GLN 58 Ca 0.00 -1.39 -0.18 0.00 -0.01 0.00 0.00 57.00 55.42 3kdz n GLN 58 Cb 0.01 -1.47 -0.08 0.00 1.02 0.00 0.00 30.24 29.73 3kdz n GLN 58 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kdz n ASN 59 N 0.56 -5.23 -4.82 1.08 3.02 0.90 -4.99 115.26 105.78 3kdz n ASN 59 Ca 0.11 0.44 -0.33 0.00 -0.03 0.00 0.00 54.58 54.77 3kdz n ASN 59 Cb 0.52 -4.36 -0.06 0.00 -0.61 0.00 0.00 39.78 35.28 3kdz n ASN 59 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3kdz s ILE 60 N -2.70 4.26 0.12 2.41 -4.36 -1.26 -4.96 121.20 114.72 3kdz s ILE 60 Ca 0.00 1.36 -0.33 0.00 -0.26 0.00 0.00 60.65 61.41 3kdz s ILE 60 Cb 0.00 -3.58 -0.13 0.00 1.25 0.00 0.00 42.46 40.01 3kdz s ILE 60 CO 0.00 -0.35 1.70 -0.81 0.24 0.00 0.00 174.94 175.72 3kdz n PRO 61 N -0.87 2.37 -3.47 0.37 -0.04 -1.26 -4.82 135.00 127.28 3kdz n PRO 61 Ca 0.07 0.86 -0.13 0.00 -0.04 0.00 0.00 63.50 64.26 3kdz n PRO 61 Cb 0.54 -2.68 -0.11 0.00 -0.04 0.00 0.00 33.50 31.21 3kdz n PRO 61 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kdz s ILE 62 N 1.82 -0.47 0.06 0.52 1.01 -1.26 -5.02 121.20 117.86 3kdz s ILE 62 Ca 0.81 -0.02 -0.37 0.00 0.00 0.00 0.00 60.65 61.06 3kdz s ILE 62 Cb -0.62 -0.70 -0.18 0.00 0.01 0.00 0.00 42.46 40.98 3kdz s ILE 62 CO 0.39 -0.11 1.19 0.33 0.00 0.00 0.00 174.94 176.74 3kdz n PHE 63 N 5.35 1.07 -0.61 3.97 7.35 -1.26 -1.16 117.46 132.17 3kdz n PHE 63 Ca -0.05 0.83 0.00 0.00 -0.76 0.00 0.00 57.45 57.47 3kdz n PHE 63 Cb 0.50 -2.22 0.00 0.00 0.35 0.00 0.00 39.48 38.11 3kdz n PHE 63 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kdz n GLY 64 N 2.04 0.80 0.09 7.13 0.00 -1.26 -4.61 105.19 109.38 3kdz n GLY 64 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 3kdz n GLY 64 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kdz n VAL 65 N -2.00 0.32 -0.51 1.61 0.31 -0.31 -4.58 118.33 113.17 3kdz n VAL 65 Ca 0.00 -0.12 0.01 0.00 -0.01 0.00 0.00 64.34 64.22 3kdz n VAL 65 Cb 0.00 -0.77 0.01 0.00 -0.91 0.00 0.00 33.84 32.17 3kdz n VAL 65 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3kdz n THR 66 N -2.71 0.67 -4.37 2.52 -2.24 -0.32 -4.86 114.28 102.97 3kdz n THR 66 Ca -0.10 -0.69 -0.20 0.00 -2.27 0.00 0.00 64.05 60.78 3kdz n THR 66 Cb 0.60 0.62 -0.09 0.00 -2.10 0.00 0.00 70.33 69.37 3kdz n THR 66 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kdz s THR 67 N -0.74 0.41 0.97 4.28 -4.23 -1.24 0.12 115.64 115.21 3kdz s THR 67 Ca 0.02 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.38 3kdz s THR 67 Cb 0.02 -2.50 0.18 0.00 1.34 0.00 0.00 72.50 71.54 3kdz s THR 67 CO 0.00 0.00 1.20 -0.83 -0.54 0.00 0.00 174.62 174.45 3kdz s GLY 68 N -3.43 1.64 0.19 3.99 0.00 0.42 -3.99 107.32 106.15 3kdz s GLY 68 Ca 0.34 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 44.23 3kdz s GLY 68 CO 0.17 -0.16 0.36 -0.19 0.00 0.00 0.00 173.10 173.29 3kdz s TYR 69 N -3.46 3.48 0.00 1.90 1.51 -1.25 -3.88 117.35 115.65 3kdz s TYR 69 Ca 0.68 0.26 0.00 0.00 -1.01 0.00 0.00 57.07 57.00 3kdz s TYR 69 Cb -0.10 -1.79 0.00 0.00 -0.11 0.00 0.00 41.96 39.96 3kdz s TYR 69 CO 0.53 0.41 0.00 0.41 -1.11 0.00 0.00 175.55 175.79 3kdz n GLY 70 N -0.69 3.37 0.25 0.71 0.00 -1.26 -1.60 105.19 105.97 3kdz n GLY 70 Ca -0.06 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.00 3kdz n GLY 70 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kdz h GLU 71 N 0.00 0.00 -1.24 1.61 4.57 -1.93 -2.71 114.58 114.88 3kdz h GLU 71 Ca 0.00 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 3kdz h GLU 71 Cb 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.53 3kdz h GLU 71 CO 0.00 0.03 0.13 -1.33 -1.18 0.00 0.00 179.01 176.66 3kdz n MET 72 N -4.50 1.25 0.13 1.92 2.81 -0.63 -3.97 117.12 114.13 3kdz n MET 72 Ca -0.03 -0.56 0.12 0.00 -1.81 0.00 0.00 57.70 55.43 3kdz n MET 72 Cb 0.12 -1.22 0.46 0.00 -0.71 0.00 0.00 33.22 31.87 3kdz n MET 72 CO 0.00 0.00 0.00 1.51 1.51 0.00 0.00 175.97 178.99 3kdz n ILE 73 N 0.45 0.74 0.30 2.02 3.06 -1.02 -2.04 119.36 122.87 3kdz n ILE 73 Ca 0.11 0.04 0.15 0.00 -2.50 0.00 0.00 62.75 60.55 3kdz n ILE 73 Cb 0.66 -0.96 0.55 0.00 0.54 0.00 0.00 39.64 40.43 3kdz n ILE 73 CO 0.00 0.00 0.00 0.10 -2.50 0.00 0.00 176.55 174.15 3kdz h TYR 74 N 0.00 0.00 -3.09 9.51 -0.00 -1.87 -3.39 116.97 118.12 3kdz h TYR 74 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 58.73 58.16 3kdz h TYR 74 Cb 0.51 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 37.18 3kdz h TYR 74 CO 0.00 0.00 0.77 -1.64 -0.00 0.00 0.00 178.16 177.29 3kdz s MET 75 N -3.50 4.29 -0.13 0.10 -1.94 -0.87 -4.95 119.30 112.29 3kdz s MET 75 Ca 0.03 1.41 -0.15 0.00 -1.71 0.00 0.00 55.69 55.27 3kdz s MET 75 Cb 0.08 -3.64 -0.05 0.00 2.01 0.00 0.00 34.83 33.24 3kdz s MET 75 CO 0.55 -0.58 0.34 -0.65 -0.01 0.00 0.00 175.02 174.67 3kdz s GLN 76 N 3.02 4.20 -0.13 2.03 -1.52 -1.26 -0.43 119.66 125.57 3kdz s GLN 76 Ca 0.46 0.20 0.03 0.00 -1.95 0.00 0.00 55.36 54.10 3kdz s GLN 76 Cb -0.16 -3.39 0.00 0.00 -0.22 0.00 0.00 33.01 29.24 3kdz s GLN 76 CO 0.09 0.29 -0.22 0.08 -0.25 0.00 0.00 175.29 175.29 3kdz s VAL 77 N 0.27 2.15 0.87 1.09 1.01 0.33 -4.94 120.40 121.17 3kdz s VAL 77 Ca 0.19 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 3kdz s VAL 77 Cb -0.14 -1.85 0.12 0.00 0.00 0.00 0.00 36.38 34.51 3kdz s VAL 77 CO 0.06 0.55 1.13 -0.62 0.00 0.00 0.00 175.10 176.22 3kdz s ASP 78 N 0.65 3.43 0.00 3.32 2.15 -1.26 -4.46 116.67 120.50 3kdz s ASP 78 Ca -0.11 2.09 0.21 0.00 0.43 0.00 0.00 52.55 55.17 3kdz s ASP 78 Cb -0.16 -2.55 0.91 0.00 -0.30 0.00 0.00 42.92 40.81 3kdz s ASP 78 CO 0.02 -2.76 1.66 2.29 -0.17 0.00 0.00 175.17 176.21 3kdz n LYS 79 N -3.98 0.05 0.00 4.34 2.85 -1.26 -2.78 118.16 117.38 3kdz n LYS 79 Ca 0.11 0.14 0.08 0.00 -1.05 0.00 0.00 58.31 57.59 3kdz n LYS 79 Cb 0.52 -1.50 0.41 0.00 -0.65 0.00 0.00 35.03 33.81 3kdz n LYS 79 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3kdz n SER 80 N -1.46 0.00 -0.89 -5.58 3.41 -1.26 -2.24 113.62 105.59 3kdz n SER 80 Ca 0.06 0.09 0.03 0.00 -0.26 0.00 0.00 58.87 58.79 3kdz n SER 80 Cb 0.23 -0.30 0.22 0.00 -0.26 0.00 0.00 64.21 64.09 3kdz n SER 80 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kdz n LYS 81 N -1.30 2.18 -0.18 4.33 4.76 -1.12 -4.86 118.16 121.96 3kdz n LYS 81 Ca 0.07 -2.98 -0.06 0.00 -2.87 0.00 0.00 58.31 52.47 3kdz n LYS 81 Cb 0.14 -1.78 -0.05 0.00 -1.84 0.00 0.00 35.03 31.49 3kdz n LYS 81 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3kdz h GLU 82 N 1.18 -0.05 -0.19 1.97 4.81 -1.67 0.11 114.58 120.74 3kdz h GLU 82 Ca 0.10 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.22 3kdz h GLU 82 Cb 1.47 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.85 3kdz h GLU 82 CO 0.26 -0.03 -0.38 0.28 -0.73 0.00 0.00 179.01 178.41 3kdz h VAL 83 N -0.05 1.30 -0.28 0.32 2.07 -1.89 -3.12 116.25 114.60 3kdz h VAL 83 Ca 0.07 -1.50 -0.04 0.00 0.82 0.00 0.00 66.70 66.05 3kdz h VAL 83 Cb 0.24 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3kdz h VAL 83 CO -0.45 0.46 0.01 -0.08 0.02 0.00 0.00 177.57 177.53 3kdz h GLU 84 N 0.35 0.48 -0.08 1.57 4.81 -1.77 -0.47 114.58 119.48 3kdz h GLU 84 Ca 0.04 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3kdz h GLU 84 Cb 0.83 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.13 3kdz h GLU 84 CO 0.07 0.64 -0.13 1.25 -0.73 0.00 0.00 179.01 180.10 3kdz h LEU 85 N 0.27 -0.39 -0.43 1.64 5.85 -0.97 0.77 115.31 122.04 3kdz h LEU 85 Ca 0.08 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 3kdz h LEU 85 Cb 0.41 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 3kdz h LEU 85 CO 0.01 -0.18 0.11 1.56 -0.34 0.00 0.00 178.44 179.61 3kdz h GLN 86 N -0.18 0.69 -0.38 1.25 1.08 -1.52 -2.60 115.11 113.45 3kdz h GLN 86 Ca 0.07 -0.16 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 3kdz h GLN 86 Cb 0.28 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 3kdz h GLN 86 CO -0.19 0.69 0.12 1.15 -0.95 0.00 0.00 178.83 179.66 3kdz h THR 87 N 0.56 1.21 -0.45 -0.54 2.02 -0.80 -2.51 112.91 112.41 3kdz h THR 87 Ca 0.14 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 3kdz h THR 87 Cb 0.31 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 3kdz h THR 87 CO 0.00 0.24 0.25 0.78 0.37 0.00 0.00 175.52 177.16 3kdz h ASN 88 N 0.47 0.54 0.28 4.18 2.35 -0.82 -2.07 115.58 120.51 3kdz h ASN 88 Ca 0.12 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3kdz h ASN 88 Cb 0.26 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3kdz h ASN 88 CO -0.00 0.44 -0.13 0.25 -1.65 0.00 0.00 177.43 176.33 3kdz h LEU 89 N 0.62 -0.32 -0.66 1.61 5.85 -1.16 -0.95 115.31 120.31 3kdz h LEU 89 Ca 0.16 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.83 3kdz h LEU 89 Cb 0.01 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 3kdz h LEU 89 CO -0.03 -0.07 0.35 0.58 -0.34 0.00 0.00 178.44 178.94 3kdz h VAL 90 N -0.56 0.94 0.38 1.05 2.07 -1.24 -0.86 116.25 118.03 3kdz h VAL 90 Ca -0.04 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 3kdz h VAL 90 Cb 0.41 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3kdz h VAL 90 CO 0.06 0.12 -0.18 0.03 0.02 0.00 0.00 177.57 177.62 3kdz h ARG 91 N 0.64 -0.49 0.00 1.57 3.08 -1.36 -2.54 114.38 115.28 3kdz h ARG 91 Ca 0.30 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.38 3kdz h ARG 91 Cb 0.22 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3kdz h ARG 91 CO -0.20 -0.18 0.00 0.66 -1.07 0.00 0.00 179.97 179.18 3kdz h SER 92 N -0.97 0.00 -0.02 7.04 4.64 -1.13 -0.96 113.55 122.15 3kdz h SER 92 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3kdz h SER 92 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3kdz h SER 92 CO 0.09 0.00 -0.14 1.41 -0.87 0.00 0.00 176.83 177.32 3kdz n HIS 93 N -2.67 0.00 -2.56 4.77 8.25 -0.33 -4.62 115.22 118.06 3kdz n HIS 93 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 3kdz n HIS 93 Cb 0.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.19 3kdz n HIS 93 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3kdz n SER 94 N 0.81 4.92 -1.32 0.41 7.64 -0.36 -4.04 113.62 121.67 3kdz n SER 94 Ca 0.11 -2.96 -0.02 0.00 1.01 0.00 0.00 58.87 57.01 3kdz n SER 94 Cb 0.51 -1.63 0.11 0.00 -1.01 0.00 0.00 64.21 62.19 3kdz n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kdz n ALA 95 N 6.34 3.63 -1.65 -0.43 0.00 -1.26 -4.99 120.51 122.14 3kdz n ALA 95 Ca 0.44 -3.18 -0.33 0.00 0.00 0.00 0.00 53.44 50.36 3kdz n ALA 95 Cb 0.42 -0.47 0.01 0.00 0.00 0.00 0.00 19.45 19.42 3kdz n ALA 95 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kdz s GLY 96 N -3.14 2.27 0.36 0.00 0.00 -1.26 -4.88 107.32 100.67 3kdz s GLY 96 Ca 0.39 0.54 0.05 0.00 0.00 0.00 0.00 44.72 45.71 3kdz s GLY 96 CO -0.06 0.88 0.21 -1.34 0.00 0.00 0.00 173.10 172.78 3kdz s VAL 97 N -2.24 0.24 0.00 1.40 -7.23 -0.23 -4.92 120.40 107.42 3kdz s VAL 97 Ca 0.67 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 3kdz s VAL 97 Cb -0.19 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.32 3kdz s VAL 97 CO 0.34 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.74 3kdz n GLY 98 N -0.72 -1.81 3.79 2.32 0.00 -1.26 -2.00 105.19 105.51 3kdz n GLY 98 Ca 0.02 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 3kdz n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kdz s PRO 99 N 0.00 2.83 0.31 1.61 0.04 -1.26 -4.65 135.00 133.88 3kdz s PRO 99 Ca 0.00 1.21 -0.18 0.00 0.04 0.00 0.00 61.00 62.07 3kdz s PRO 99 Cb 0.00 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 3kdz s PRO 99 CO 0.00 -1.20 0.77 -0.51 0.04 0.00 0.00 177.00 176.10 3kdz s LEU 100 N -5.15 4.15 0.69 -3.56 1.43 -1.26 -0.12 118.68 114.85 3kdz s LEU 100 Ca 0.63 1.40 -0.13 0.00 -1.03 0.00 0.00 54.13 55.00 3kdz s LEU 100 Cb -0.17 -3.99 0.01 0.00 0.03 0.00 0.00 46.19 42.07 3kdz s LEU 100 CO 0.46 -0.15 1.09 -0.36 0.23 0.00 0.00 176.35 177.63 3kdz s PHE 101 N -1.85 2.71 0.83 0.29 0.40 0.12 -4.83 117.98 115.67 3kdz s PHE 101 Ca 0.52 1.53 -0.12 0.00 -0.60 0.00 0.00 56.93 58.26 3kdz s PHE 101 Cb -0.12 -3.08 0.09 0.00 0.51 0.00 0.00 43.02 40.42 3kdz s PHE 101 CO 0.18 -1.59 1.10 0.00 0.70 0.00 0.00 175.22 175.62 3kdz s ALA 102 N -2.59 2.05 0.16 5.36 0.00 -1.26 -4.70 121.76 120.78 3kdz s ALA 102 Ca 0.64 -0.25 -0.21 0.00 0.00 0.00 0.00 51.96 52.13 3kdz s ALA 102 Cb -0.18 -3.10 0.06 0.00 0.00 0.00 0.00 23.12 19.90 3kdz s ALA 102 CO 0.46 -1.93 1.63 1.49 0.00 0.00 0.00 175.76 177.41 3kdz h GLU 103 N -1.24 -0.20 -0.65 0.00 4.81 -1.95 0.22 114.58 115.58 3kdz h GLU 103 Ca -0.48 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.73 3kdz h GLU 103 Cb 1.28 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.68 3kdz h GLU 103 CO 0.59 -0.13 0.29 0.38 -0.73 0.00 0.00 179.01 179.42 3kdz h ASP 104 N -0.20 0.84 -0.24 1.04 2.03 -1.93 0.12 116.42 118.08 3kdz h ASP 104 Ca 0.17 -0.10 -0.06 0.00 -0.73 0.00 0.00 57.03 56.31 3kdz h ASP 104 Cb 0.46 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 38.74 3kdz h ASP 104 CO -0.45 0.73 -0.07 -0.33 -1.03 0.00 0.00 179.24 178.09 3kdz h GLU 105 N 0.92 0.48 -0.82 4.15 5.08 -1.65 -1.55 114.58 121.19 3kdz h GLU 105 Ca 0.22 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3kdz h GLU 105 Cb 0.12 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 3kdz h GLU 105 CO -0.03 0.71 0.51 0.00 -1.00 0.00 0.00 179.01 179.20 3kdz h ALA 106 N 0.75 1.04 -0.57 3.43 0.00 -0.26 -2.36 119.26 121.30 3kdz h ALA 106 Ca 0.06 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3kdz h ALA 106 Cb 0.54 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3kdz h ALA 106 CO 0.03 0.49 0.21 0.00 0.00 0.00 0.00 179.25 179.98 3kdz h ARG 107 N 1.12 0.86 -0.89 0.00 3.08 -0.83 -1.90 114.38 115.83 3kdz h ARG 107 Ca 0.30 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 60.19 3kdz h ARG 107 Cb -0.07 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 29.80 3kdz h ARG 107 CO -0.06 0.76 0.59 0.00 -1.07 0.00 0.00 179.97 180.19 3kdz h ALA 108 N 1.06 1.14 -0.14 0.04 0.00 -0.94 0.97 119.26 121.38 3kdz h ALA 108 Ca 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kdz h ALA 108 Cb 0.24 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3kdz h ALA 108 CO -0.01 0.50 0.06 0.82 0.00 0.00 0.00 179.25 180.63 3kdz h ILE 109 N 1.18 1.14 -0.89 0.00 2.04 -1.17 -0.41 117.51 119.40 3kdz h ILE 109 Ca 0.33 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.81 3kdz h ILE 109 Cb -0.11 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 3kdz h ILE 109 CO -0.08 0.12 0.59 0.58 0.00 0.00 0.00 178.15 179.36 3kdz h VAL 110 N 0.09 1.21 -0.51 1.67 2.07 -0.97 -1.14 116.25 118.68 3kdz h VAL 110 Ca 0.05 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 3kdz h VAL 110 Cb 0.14 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.81 3kdz h VAL 110 CO -0.01 0.22 0.26 0.00 0.02 0.00 0.00 177.57 178.06 3kdz h ALA 111 N 1.33 0.65 -0.45 1.67 0.00 -0.49 -0.98 119.26 120.99 3kdz h ALA 111 Ca 0.33 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3kdz h ALA 111 Cb -0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3kdz h ALA 111 CO -0.08 0.20 -0.01 0.00 0.00 0.00 0.00 179.25 179.36 3kdz h ALA 112 N 1.10 1.14 -0.16 0.00 0.00 -0.53 -1.68 119.26 119.13 3kdz h ALA 112 Ca 0.18 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3kdz h ALA 112 Cb 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3kdz h ALA 112 CO -0.02 0.55 -0.02 -0.09 0.00 0.00 0.00 179.25 179.67 3kdz h ARG 113 N 0.69 0.29 -0.62 0.00 9.65 -0.85 -2.16 114.38 121.38 3kdz h ARG 113 Ca 0.14 -0.10 0.07 0.00 -1.10 0.00 0.00 59.98 58.98 3kdz h ARG 113 Cb 0.45 -0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 28.95 3kdz h ARG 113 CO 0.02 0.54 0.31 1.25 2.80 0.00 0.00 179.97 184.89 3kdz h LEU 114 N 0.01 0.43 -1.10 3.80 5.85 -0.99 -1.34 115.31 121.96 3kdz h LEU 114 Ca 0.04 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3kdz h LEU 114 Cb 0.42 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3kdz h LEU 114 CO 0.01 0.27 0.29 -1.13 -0.34 0.00 0.00 178.44 177.54 3kdz h ASN 115 N 0.57 0.84 0.25 1.25 -0.73 -1.20 -0.50 115.58 116.06 3kdz h ASN 115 Ca 0.29 -0.10 -0.01 0.00 1.87 0.00 0.00 56.30 58.35 3kdz h ASN 115 Cb 0.23 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.61 3kdz h ASN 115 CO -0.21 0.73 -0.12 0.74 -0.37 0.00 0.00 177.43 178.20 3kdz h THR 116 N 0.92 0.78 -0.58 -3.57 2.02 -0.60 -2.84 112.91 109.03 3kdz h THR 116 Ca 0.22 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.27 3kdz h THR 116 Cb 0.13 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 3kdz h THR 116 CO -0.03 0.02 0.22 -0.07 0.37 0.00 0.00 175.52 176.03 3kdz h LEU 117 N -0.38 0.78 -1.81 2.58 3.38 -1.12 -2.42 115.31 116.33 3kdz h LEU 117 Ca -0.03 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3kdz h LEU 117 Cb 0.29 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3kdz h LEU 117 CO 0.06 0.71 0.00 0.00 0.09 0.00 0.00 178.44 179.30 3kdz h ALA 118 N 1.40 1.00 0.00 1.53 0.00 -0.90 -2.52 119.26 119.77 3kdz h ALA 118 Ca 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3kdz h ALA 118 Cb 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kdz h ALA 118 CO -0.02 0.00 -0.04 -0.22 0.00 0.00 0.00 179.25 178.98 3kdz h LYS 119 N 0.00 0.00 0.00 0.00 3.64 -1.20 -3.41 116.57 115.60 3kdz h LYS 119 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kdz h LYS 119 Cb 0.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3kdz h LYS 119 CO 0.00 0.04 0.00 0.41 -2.27 0.00 0.00 179.45 177.63 3kdz n GLY 120 N -1.08 0.93 0.18 5.01 0.00 -0.95 -4.97 105.19 104.30 3kdz n GLY 120 Ca -0.03 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 45.98 3kdz n GLY 120 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kdz n HIS 121 N -2.13 0.14 1.04 1.61 8.25 -1.26 -4.59 115.22 118.28 3kdz n HIS 121 Ca 0.00 -0.59 0.11 0.00 -0.26 0.00 0.00 57.72 56.98 3kdz n HIS 121 Cb 0.00 -0.07 0.05 0.00 1.12 0.00 0.00 29.99 31.08 3kdz n HIS 121 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3kdz n SER 122 N -0.43 1.72 -3.41 0.41 7.64 -1.26 -1.90 113.62 116.38 3kdz n SER 122 Ca 0.06 -1.33 -0.25 0.00 1.01 0.00 0.00 58.87 58.36 3kdz n SER 122 Cb 0.37 0.49 0.01 0.00 -1.01 0.00 0.00 64.21 64.07 3kdz n SER 122 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kdz n ALA 123 N -0.34 -1.09 -2.67 -0.43 0.00 -1.26 -4.92 120.51 109.80 3kdz n ALA 123 Ca 0.09 0.14 -0.29 0.00 0.00 0.00 0.00 53.44 53.39 3kdz n ALA 123 Cb 0.43 -3.32 -0.03 0.00 0.00 0.00 0.00 19.45 16.53 3kdz n ALA 123 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kdz s VAL 124 N -3.05 5.14 0.50 0.00 1.01 -1.26 -4.74 120.40 117.99 3kdz s VAL 124 Ca 0.44 -0.14 -0.22 0.00 0.00 0.00 0.00 61.98 62.06 3kdz s VAL 124 Cb -0.22 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 3kdz s VAL 124 CO 0.54 -0.18 1.18 -0.13 0.00 0.00 0.00 175.10 176.51 3kdz s ARG 125 N -3.26 3.52 0.39 2.72 0.52 -1.26 -4.71 118.95 116.87 3kdz s ARG 125 Ca 0.41 1.78 0.10 0.00 -0.52 0.00 0.00 55.73 57.50 3kdz s ARG 125 Cb -0.11 -2.25 0.86 0.00 0.52 0.00 0.00 34.95 33.98 3kdz s ARG 125 CO 0.28 -0.75 1.94 -1.35 0.02 0.00 0.00 175.30 175.45 3kdz h PRO 126 N 1.67 0.60 -1.00 3.54 0.11 -1.91 -1.64 132.00 133.37 3kdz h PRO 126 Ca -0.50 -0.04 0.23 0.00 0.11 0.00 0.00 66.00 65.80 3kdz h PRO 126 Cb 1.26 -0.14 -0.12 0.00 0.11 0.00 0.00 31.00 32.12 3kdz h PRO 126 CO 0.59 0.40 0.59 0.97 -0.21 0.00 0.00 178.00 180.34 3kdz h ILE 127 N 0.62 0.59 -0.48 4.15 6.09 -1.98 0.23 117.51 126.72 3kdz h ILE 127 Ca 0.34 -0.22 -0.00 0.00 -1.37 0.00 0.00 64.86 63.61 3kdz h ILE 127 Cb 0.48 -0.10 -0.02 0.00 0.47 0.00 0.00 36.82 37.65 3kdz h ILE 127 CO -0.12 0.12 0.30 0.40 -3.07 0.00 0.00 178.15 175.78 3kdz h ILE 128 N 0.64 1.14 -0.72 2.19 1.08 -1.66 0.40 117.51 120.57 3kdz h ILE 128 Ca 0.62 -0.30 -0.06 0.00 -0.39 0.00 0.00 64.86 64.73 3kdz h ILE 128 Cb 1.11 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 35.31 3kdz h ILE 128 CO -0.45 0.14 0.21 -0.07 -0.69 0.00 0.00 178.15 177.29 3kdz h LEU 129 N 0.65 1.07 0.01 1.44 3.38 -0.73 -2.18 115.31 118.94 3kdz h LEU 129 Ca 0.17 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3kdz h LEU 129 Cb -0.03 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.44 3kdz h LEU 129 CO -0.03 1.00 -0.00 -0.33 0.09 0.00 0.00 178.44 179.16 3kdz h GLU 130 N 1.08 -0.01 -0.99 1.13 5.08 -0.16 -2.06 114.58 118.65 3kdz h GLU 130 Ca 0.23 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.61 3kdz h GLU 130 Cb 0.33 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 3kdz h GLU 130 CO -0.00 0.21 0.66 -0.09 -1.00 0.00 0.00 179.01 178.78 3kdz h ARG 131 N -0.23 1.27 0.45 2.33 9.65 -0.17 0.83 114.38 128.51 3kdz h ARG 131 Ca -0.00 -0.08 -0.02 0.00 -1.10 0.00 0.00 59.98 58.78 3kdz h ARG 131 Cb 0.23 -0.29 0.00 0.00 -1.39 0.00 0.00 29.97 28.52 3kdz h ARG 131 CO 0.00 0.84 -0.23 -0.07 2.80 0.00 0.00 179.97 183.31 3kdz h LEU 132 N 1.31 -0.56 -0.99 3.80 4.07 -1.31 -0.72 115.31 120.91 3kdz h LEU 132 Ca 0.38 0.02 0.06 0.00 0.08 0.00 0.00 57.88 58.42 3kdz h LEU 132 Cb -0.09 0.15 -0.06 0.00 1.08 0.00 0.00 40.66 41.74 3kdz h LEU 132 CO -0.10 -0.39 0.64 0.00 -1.08 0.00 0.00 178.44 177.52 3kdz h ALA 133 N -0.09 1.36 -0.91 1.53 0.00 -1.01 -1.15 119.26 118.99 3kdz h ALA 133 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kdz h ALA 133 Cb 0.50 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3kdz h ALA 133 CO 0.09 0.46 0.57 0.37 0.00 0.00 0.00 179.25 180.74 3kdz h GLN 134 N 1.19 1.22 -0.57 0.00 4.15 -0.44 0.19 115.11 120.85 3kdz h GLN 134 Ca 0.42 -0.09 -0.04 0.00 0.77 0.00 0.00 58.65 59.71 3kdz h GLN 134 Cb 0.12 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 3kdz h GLN 134 CO -0.16 0.83 0.20 1.88 -1.93 0.00 0.00 178.83 179.65 3kdz h TYR 135 N 1.24 0.89 0.12 3.99 -1.99 0.09 0.78 116.97 122.09 3kdz h TYR 135 Ca 0.33 -0.08 -0.01 0.00 2.00 0.00 0.00 58.73 60.97 3kdz h TYR 135 Cb -0.09 -0.26 0.00 0.00 2.00 0.00 0.00 36.73 38.38 3kdz h TYR 135 CO 0.00 0.74 -0.06 -0.07 -0.00 0.00 0.00 178.16 178.78 3kdz h LEU 136 N 0.79 -0.13 -1.91 3.88 3.38 -0.69 -0.75 115.31 119.88 3kdz h LEU 136 Ca 0.19 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3kdz h LEU 136 Cb 0.25 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3kdz h LEU 136 CO -0.01 0.17 -0.07 0.78 0.09 0.00 0.00 178.44 179.41 3kdz h ASN 137 N -0.45 0.00 -0.08 -0.43 -0.26 -0.58 -3.07 115.58 110.70 3kdz h ASN 137 Ca -0.02 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 3kdz h ASN 137 Cb 0.37 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.63 3kdz h ASN 137 CO 0.03 0.07 0.00 -0.62 -1.06 0.00 0.00 177.43 175.85 3kdz n GLU 138 N -3.32 1.40 -0.97 0.81 1.02 0.26 -5.00 120.64 114.84 3kdz n GLU 138 Ca -0.01 -1.55 0.00 0.00 -0.02 0.00 0.00 57.16 55.58 3kdz n GLU 138 Cb 0.25 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 3kdz n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kdz n GLY 139 N 0.89 0.41 3.45 0.62 0.00 -0.68 -5.00 105.19 104.88 3kdz n GLY 139 Ca 0.10 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 3kdz n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kdz s ILE 140 N -2.00 4.44 -0.27 -0.61 1.01 -0.37 -5.01 121.20 118.39 3kdz s ILE 140 Ca 0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 3kdz s ILE 140 Cb 0.00 -4.62 -0.05 0.00 0.01 0.00 0.00 42.46 37.81 3kdz s ILE 140 CO 0.00 -1.33 0.16 -0.89 0.00 0.00 0.00 174.94 172.88 3kdz s THR 141 N 3.76 5.12 0.49 2.92 2.01 -1.26 -4.57 115.64 124.11 3kdz s THR 141 Ca 0.21 0.10 -0.23 0.00 0.31 0.00 0.00 61.69 62.08 3kdz s THR 141 Cb -0.18 -3.43 -0.06 0.00 0.01 0.00 0.00 72.50 68.84 3kdz s THR 141 CO 0.11 0.28 1.29 -2.84 -0.69 0.00 0.00 174.62 172.76 3kdz s PRO 142 N 1.63 3.50 -0.53 4.92 0.02 -1.26 0.20 135.00 143.48 3kdz s PRO 142 Ca 0.07 2.07 -0.24 0.00 0.02 0.00 0.00 61.00 62.93 3kdz s PRO 142 Cb -0.15 -2.40 0.04 0.00 0.02 0.00 0.00 34.50 32.00 3kdz s PRO 142 CO 0.09 -0.85 0.89 0.00 -0.33 0.00 0.00 177.00 176.80 3kdz s ALA 143 N -1.38 3.20 -0.31 -1.55 0.00 -0.13 -4.21 121.76 117.39 3kdz s ALA 143 Ca 0.66 -1.21 -0.05 0.00 0.00 0.00 0.00 51.96 51.37 3kdz s ALA 143 Cb -0.36 -3.66 0.04 0.00 0.00 0.00 0.00 23.12 19.14 3kdz s ALA 143 CO 0.44 -2.26 0.05 0.42 0.00 0.00 0.00 175.76 174.41 3kdz s ILE 144 N 3.73 3.48 0.30 0.00 1.01 -1.26 -4.73 121.20 123.72 3kdz s ILE 144 Ca 0.30 -1.13 -0.29 0.00 0.00 0.00 0.00 60.65 59.53 3kdz s ILE 144 Cb -0.13 -2.93 -0.10 0.00 0.01 0.00 0.00 42.46 39.32 3kdz s ILE 144 CO 0.20 -0.08 1.27 -2.16 0.00 0.00 0.00 174.94 174.17 3kdz s PRO 145 N 1.36 4.41 0.37 2.79 0.04 -1.26 0.16 135.00 142.88 3kdz s PRO 145 Ca -0.02 2.12 0.11 0.00 0.04 0.00 0.00 61.00 63.25 3kdz s PRO 145 Cb -0.19 -3.11 0.72 0.00 0.04 0.00 0.00 34.50 31.96 3kdz s PRO 145 CO 0.01 -0.13 1.85 0.93 0.04 0.00 0.00 177.00 179.70 3kdz h GLU 146 N 3.81 0.10 -5.93 4.56 5.08 -0.58 -3.42 114.58 118.20 3kdz h GLU 146 Ca -0.48 -0.03 -0.66 0.00 -1.00 0.00 0.00 59.36 57.19 3kdz h GLU 146 Cb 1.22 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.36 3kdz h GLU 146 CO 0.68 0.39 -0.57 0.42 -1.00 0.00 0.00 179.01 178.94 3kdz s ILE 147 N -4.38 4.80 0.00 3.13 1.01 -0.85 -4.68 121.20 120.24 3kdz s ILE 147 Ca -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.35 3kdz s ILE 147 Cb 0.15 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.47 3kdz s ILE 147 CO 0.73 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.73 3kdz n GLY 148 N 1.50 1.32 3.76 6.18 0.00 -1.26 -1.07 105.19 115.61 3kdz n GLY 148 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 3kdz n GLY 148 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kdz s SER 149 N -0.04 7.25 0.00 1.61 0.15 -1.26 -4.55 113.70 116.86 3kdz s SER 149 Ca 0.00 2.28 0.18 0.00 0.70 0.00 0.00 55.95 59.11 3kdz s SER 149 Cb 0.00 -2.63 0.42 0.00 -1.71 0.00 0.00 66.02 62.10 3kdz s SER 149 CO 0.00 -0.16 1.34 0.18 1.20 0.00 0.00 173.24 175.81 3kdz n LEU 150 N 1.16 3.30 -2.83 3.45 4.77 -1.26 -4.84 117.00 120.75 3kdz n LEU 150 Ca -0.01 -1.72 -0.07 0.00 -0.03 0.00 0.00 56.01 54.19 3kdz n LEU 150 Cb 0.45 -0.28 0.01 0.00 -2.33 0.00 0.00 43.42 41.26 3kdz n LEU 150 CO 0.54 0.77 -0.05 0.61 -1.33 0.00 0.00 177.39 177.92 3kdz n GLY 151 N 1.19 -1.85 2.55 -0.72 0.00 -1.26 -1.10 105.19 104.00 3kdz n GLY 151 Ca 0.17 1.12 -0.11 0.00 0.00 0.00 0.00 46.02 47.20 3kdz n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kdz n ASP 155 N -0.11 1.05 0.18 1.61 8.00 -0.81 -1.24 116.55 125.23 3kdz n ASP 155 Ca 0.10 -2.79 -0.16 0.00 0.71 0.00 0.00 54.79 52.65 3kdz n ASP 155 Cb 0.38 -0.43 -0.09 0.00 -0.02 0.00 0.00 41.12 40.96 3kdz n ASP 155 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3kdz h LEU 156 N 2.95 -1.39 0.41 0.64 3.38 -1.84 -2.22 115.31 117.24 3kdz h LEU 156 Ca -0.06 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3kdz h LEU 156 Cb 1.13 0.49 -0.03 0.00 0.09 0.00 0.00 40.66 42.34 3kdz h LEU 156 CO 0.46 -0.57 -0.47 0.00 0.09 0.00 0.00 178.44 177.96 3kdz h ALA 157 N -0.79 -1.02 -0.74 1.53 0.00 -1.80 0.18 119.26 116.63 3kdz h ALA 157 Ca -0.03 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.81 3kdz h ALA 157 Cb 0.75 0.70 -0.07 0.00 0.00 0.00 0.00 17.79 19.17 3kdz h ALA 157 CO -0.17 -1.12 0.40 -1.00 0.00 0.00 0.00 179.25 177.36 3kdz h PRO 158 N -0.90 0.66 0.00 0.00 0.13 -1.82 -1.27 132.00 128.80 3kdz h PRO 158 Ca -0.04 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.97 3kdz h PRO 158 Cb 0.81 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 3kdz h PRO 158 CO -0.10 0.44 -0.39 -0.07 -0.23 0.00 0.00 178.00 177.65 3kdz h LEU 159 N 0.68 0.00 -0.71 1.56 3.38 -1.18 -2.50 115.31 116.54 3kdz h LEU 159 Ca 0.35 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.20 3kdz h LEU 159 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3kdz h LEU 159 CO -0.24 0.39 -0.29 0.28 0.09 0.00 0.00 178.44 178.66 3kdz h SER 160 N 0.00 0.68 -0.64 -0.43 0.02 0.48 0.22 113.55 113.88 3kdz h SER 160 Ca -0.00 -0.26 -0.05 0.00 -0.84 0.00 0.00 61.79 60.63 3kdz h SER 160 Cb 0.73 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 3kdz h SER 160 CO 0.05 0.94 0.22 0.45 -1.14 0.00 0.00 176.83 177.34 3kdz h HIS 161 N 0.57 1.03 -0.01 3.45 3.86 -0.94 0.34 115.15 123.45 3kdz h HIS 161 Ca 0.07 -0.09 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3kdz h HIS 161 Cb 0.79 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.95 3kdz h HIS 161 CO 0.04 0.82 0.00 0.28 0.86 0.00 0.00 177.93 179.92 3kdz h VAL 162 N 0.98 1.25 -0.96 2.45 2.07 -1.01 -2.94 116.25 118.09 3kdz h VAL 162 Ca 0.22 -0.73 0.13 0.00 0.82 0.00 0.00 66.70 67.14 3kdz h VAL 162 Cb 0.26 1.73 -0.09 0.00 -1.52 0.00 0.00 31.29 31.67 3kdz h VAL 162 CO -0.01 0.19 0.59 0.00 0.02 0.00 0.00 177.57 178.36 3kdz h ALA 163 N 0.70 1.46 -0.87 1.67 0.00 -0.10 -1.02 119.26 121.10 3kdz h ALA 163 Ca 0.00 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.09 3kdz h ALA 163 Cb 0.31 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 3kdz h ALA 163 CO 0.00 0.13 0.56 0.77 0.00 0.00 0.00 179.25 180.72 3kdz h SER 164 N 0.89 0.64 0.67 0.00 0.02 -0.15 -1.50 113.55 114.13 3kdz h SER 164 Ca 0.49 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.42 3kdz h SER 164 Cb 0.55 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 3kdz h SER 164 CO -0.29 0.33 -0.28 0.71 -1.14 0.00 0.00 176.83 176.16 3kdz h THR 165 N 0.68 0.79 0.00 -2.27 1.35 -1.14 0.26 112.91 112.59 3kdz h THR 165 Ca 0.43 -1.16 -0.07 0.00 -0.55 0.00 0.00 66.41 65.06 3kdz h THR 165 Cb 0.69 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 68.81 3kdz h THR 165 CO -0.19 0.28 -0.34 -0.07 -0.25 0.00 0.00 175.52 174.95 3kdz h LEU 166 N 0.00 0.00 -3.34 3.87 3.38 -1.28 -2.74 115.31 115.21 3kdz h LEU 166 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kdz h LEU 166 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3kdz h LEU 166 CO 0.04 0.34 0.00 2.30 0.09 0.00 0.00 178.44 181.20 3kdz n ILE 167 N -3.57 2.31 -3.01 1.22 -5.35 -1.08 -0.89 119.36 108.99 3kdz n ILE 167 Ca -0.00 -1.52 -0.14 0.00 -0.27 0.00 0.00 62.75 60.81 3kdz n ILE 167 Cb 0.47 -0.15 0.04 0.00 -1.74 0.00 0.00 39.64 38.26 3kdz n ILE 167 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kdz n GLY 168 N 0.28 0.04 1.69 3.28 0.00 -1.03 -4.69 105.19 104.76 3kdz n GLY 168 Ca 0.24 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 3kdz n GLY 168 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kdz n GLU 169 N -3.02 0.77 0.00 1.61 1.02 0.90 -3.29 120.64 118.62 3kdz n GLU 169 Ca -0.02 -1.74 0.00 0.00 -0.02 0.00 0.00 57.16 55.38 3kdz n GLU 169 Cb 0.55 0.94 0.00 0.00 -0.02 0.00 0.00 31.44 32.91 3kdz n GLU 169 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kdz n GLY 170 N 0.78 1.58 3.05 0.62 0.00 -1.26 -3.22 105.19 106.73 3kdz n GLY 170 Ca -0.03 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 3kdz n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kdz s TYR 171 N 0.00 0.47 0.02 1.61 1.51 -1.26 -2.34 117.35 117.36 3kdz s TYR 171 Ca 0.00 -0.75 0.07 0.00 -1.01 0.00 0.00 57.07 55.37 3kdz s TYR 171 Cb 0.00 -0.32 -0.03 0.00 -0.11 0.00 0.00 41.96 41.50 3kdz s TYR 171 CO 0.00 -0.24 -0.18 0.08 -1.11 0.00 0.00 175.55 174.11 3kdz s VAL 172 N -2.52 2.82 0.06 0.71 1.01 -0.21 -0.95 120.40 121.31 3kdz s VAL 172 Ca -0.04 -1.11 -0.27 0.00 0.00 0.00 0.00 61.98 60.56 3kdz s VAL 172 Cb -0.02 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 3kdz s VAL 172 CO -0.04 0.38 0.84 -0.22 0.00 0.00 0.00 175.10 176.07 3kdz s LEU 173 N -1.30 4.45 -0.20 3.92 2.96 0.53 -0.54 118.68 128.50 3kdz s LEU 173 Ca 0.14 1.57 -0.09 0.00 -0.22 0.00 0.00 54.13 55.52 3kdz s LEU 173 Cb -0.10 -3.37 0.07 0.00 0.50 0.00 0.00 46.19 43.29 3kdz s LEU 173 CO 0.04 -0.04 0.46 -0.60 -1.32 0.00 0.00 176.35 174.89 3kdz s ARG 174 N 0.09 0.41 -1.68 1.98 3.52 0.14 -4.46 118.95 118.96 3kdz s ARG 174 Ca 0.42 0.95 -0.17 0.00 -0.13 0.00 0.00 55.73 56.81 3kdz s ARG 174 Cb -0.21 0.15 0.14 0.00 -1.56 0.00 0.00 34.95 33.47 3kdz s ARG 174 CO 0.25 -0.19 0.75 -0.25 -0.81 0.00 0.00 175.30 175.06 3kdz n ASP 175 N 4.69 -3.04 0.00 -2.12 9.92 -1.26 -0.71 116.55 124.03 3kdz n ASP 175 Ca -0.18 -1.01 0.00 0.00 -0.53 0.00 0.00 54.79 53.07 3kdz n ASP 175 Cb 0.53 -2.79 0.00 0.00 -0.64 0.00 0.00 41.12 38.22 3kdz n ASP 175 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kdz n GLY 176 N -1.47 1.78 3.32 0.44 0.00 -1.26 -5.01 105.19 102.99 3kdz n GLY 176 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 3kdz n GLY 176 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kdz s ARG 177 N -0.01 1.24 0.09 1.61 0.52 0.11 -5.05 118.95 117.47 3kdz s ARG 177 Ca 0.00 -1.34 -0.29 0.00 -0.52 0.00 0.00 55.73 53.58 3kdz s ARG 177 Cb 0.00 -1.37 -0.05 0.00 0.52 0.00 0.00 34.95 34.04 3kdz s ARG 177 CO 0.00 0.29 0.93 -1.25 0.02 0.00 0.00 175.30 175.29 3kdz s PRO 178 N -2.53 4.65 -0.07 3.54 0.04 -1.26 -0.68 135.00 138.68 3kdz s PRO 178 Ca 0.13 1.38 0.03 0.00 0.04 0.00 0.00 61.00 62.59 3kdz s PRO 178 Cb -0.07 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.09 3kdz s PRO 178 CO 0.06 0.20 -0.18 0.08 0.04 0.00 0.00 177.00 177.20 3kdz s VAL 179 N 0.09 1.56 0.11 -0.36 1.01 0.30 -4.92 120.40 118.19 3kdz s VAL 179 Ca 0.46 -0.75 -0.35 0.00 0.00 0.00 0.00 61.98 61.34 3kdz s VAL 179 Cb -0.23 -1.37 -0.17 0.00 0.00 0.00 0.00 36.38 34.61 3kdz s VAL 179 CO 0.28 0.45 1.18 -0.62 0.00 0.00 0.00 175.10 176.39 3kdz n GLU 180 N 3.53 0.90 0.12 2.72 1.02 -1.26 -1.04 120.64 126.63 3kdz n GLU 180 Ca -0.20 0.32 -0.14 0.00 -0.02 0.00 0.00 57.16 57.12 3kdz n GLU 180 Cb 0.52 -1.85 -0.08 0.00 -0.02 0.00 0.00 31.44 30.02 3kdz n GLU 180 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3kdz h THR 181 N 2.88 0.84 -1.07 2.62 2.02 -1.66 -3.03 112.91 115.50 3kdz h THR 181 Ca -0.45 -0.06 0.38 0.00 0.77 0.00 0.00 66.41 67.05 3kdz h THR 181 Cb 1.36 0.88 -0.16 0.00 -1.74 0.00 0.00 68.15 68.50 3kdz h THR 181 CO 0.71 0.01 0.62 0.00 0.37 0.00 0.00 175.52 177.24 3kdz h ALA 182 N 0.56 2.22 0.46 6.16 0.00 -1.82 -0.56 119.26 126.28 3kdz h ALA 182 Ca -0.02 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3kdz h ALA 182 Cb 0.20 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3kdz h ALA 182 CO 0.04 -0.90 -0.22 0.37 0.00 0.00 0.00 179.25 178.54 3kdz h GLN 183 N 0.15 -0.60 -1.00 0.00 4.15 -1.88 -2.49 115.11 113.43 3kdz h GLN 183 Ca 0.80 0.04 0.24 0.00 0.77 0.00 0.00 58.65 60.50 3kdz h GLN 183 Cb 2.09 0.14 -0.09 0.00 0.21 0.00 0.00 27.48 29.83 3kdz h GLN 183 CO -0.62 -0.32 0.64 0.28 -1.93 0.00 0.00 178.83 176.88 3kdz h VAL 184 N -1.08 0.59 0.00 2.39 2.07 -1.10 0.52 116.25 119.63 3kdz h VAL 184 Ca -0.06 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 3kdz h VAL 184 Cb 0.55 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3kdz h VAL 184 CO 0.10 0.08 -0.39 -0.07 0.02 0.00 0.00 177.57 177.31 3kdz h LEU 185 N 0.45 0.00 -0.23 2.57 3.38 -1.31 -0.95 115.31 119.23 3kdz h LEU 185 Ca 0.57 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.32 3kdz h LEU 185 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3kdz h LEU 185 CO -0.28 0.39 -0.87 0.00 0.09 0.00 0.00 178.44 177.77 3kdz h ALA 186 N 1.61 0.41 -0.02 1.53 0.00 0.42 0.19 119.26 123.39 3kdz h ALA 186 Ca -0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 3kdz h ALA 186 Cb 1.07 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3kdz h ALA 186 CO 0.05 0.77 -0.02 0.93 0.00 0.00 0.00 179.25 180.99 3kdz h GLU 187 N 0.29 0.04 0.00 0.00 5.08 -0.83 -2.90 114.58 116.26 3kdz h GLU 187 Ca -0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3kdz h GLU 187 Cb 1.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.74 3kdz h GLU 187 CO 0.15 0.50 0.00 0.54 -1.00 0.00 0.00 179.01 179.21 3kdz n ARG 188 N -4.83 0.16 -3.12 2.33 5.12 -0.38 -4.88 116.66 111.06 3kdz n ARG 188 Ca -0.08 0.16 -0.14 0.00 -1.93 0.00 0.00 57.85 55.86 3kdz n ARG 188 Cb 0.25 -1.50 0.07 0.00 -1.16 0.00 0.00 32.46 30.12 3kdz n ARG 188 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kdz n GLY 189 N 0.10 -0.16 3.23 -0.13 0.00 -0.59 -5.03 105.19 102.60 3kdz n GLY 189 Ca 0.06 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3kdz n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kdz s ILE 190 N -3.26 1.98 -0.19 -0.61 1.01 0.55 -5.04 121.20 115.64 3kdz s ILE 190 Ca 0.09 -1.00 -0.20 0.00 0.00 0.00 0.00 60.65 59.54 3kdz s ILE 190 Cb -0.04 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 3kdz s ILE 190 CO 0.55 0.55 0.60 -0.70 0.00 0.00 0.00 174.94 175.93 3kdz s GLU 191 N 0.10 4.22 0.72 2.79 2.56 -1.26 -4.49 118.70 123.34 3kdz s GLU 191 Ca -0.11 0.57 -0.16 0.00 0.00 0.00 0.00 54.97 55.28 3kdz s GLU 191 Cb -0.15 -3.57 0.00 0.00 2.00 0.00 0.00 34.13 32.41 3kdz s GLU 191 CO 0.06 -0.20 0.94 -0.35 -0.56 0.00 0.00 175.26 175.15 3kdz n PRO 192 N 4.90 0.48 -2.32 4.30 -0.04 -1.26 -5.00 135.00 136.07 3kdz n PRO 192 Ca -0.02 0.22 -0.25 0.00 -0.04 0.00 0.00 63.50 63.40 3kdz n PRO 192 Cb 0.50 -2.20 0.05 0.00 -0.04 0.00 0.00 33.50 31.82 3kdz n PRO 192 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kdz s LEU 193 N -2.95 3.00 -0.08 1.53 1.43 -0.07 -4.95 118.68 116.57 3kdz s LEU 193 Ca 0.73 0.47 0.03 0.00 -1.03 0.00 0.00 54.13 54.33 3kdz s LEU 193 Cb -0.34 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 42.68 3kdz s LEU 193 CO 0.51 -1.38 -0.20 -0.70 0.23 0.00 0.00 176.35 174.81 3kdz s GLU 194 N -5.11 2.51 -0.03 1.70 2.12 -1.26 -4.34 118.70 114.29 3kdz s GLU 194 Ca 0.58 -0.70 -0.30 0.00 0.36 0.00 0.00 54.97 54.91 3kdz s GLU 194 Cb -0.11 -1.95 -0.02 0.00 0.26 0.00 0.00 34.13 32.31 3kdz s GLU 194 CO 0.44 0.13 0.99 -0.51 -0.54 0.00 0.00 175.26 175.77 3kdz s LEU 195 N 0.43 4.33 0.00 2.70 1.43 -1.26 -5.05 118.68 121.26 3kdz s LEU 195 Ca -0.16 1.62 0.04 0.00 -1.03 0.00 0.00 54.13 54.60 3kdz s LEU 195 Cb -0.17 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.53 3kdz s LEU 195 CO 0.07 -0.32 0.37 0.54 0.23 0.00 0.00 176.35 177.24 3kdz n ARG 196 N 4.24 0.88 -1.52 1.70 5.12 -1.26 -4.16 116.66 121.65 3kdz n ARG 196 Ca 0.07 -1.95 -0.60 0.00 -1.93 0.00 0.00 57.85 53.44 3kdz n ARG 196 Cb 0.50 0.02 -0.09 0.00 -1.16 0.00 0.00 32.46 31.73 3kdz n ARG 196 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 3kdz n PHE 197 N -1.53 1.52 -0.17 -1.55 3.72 -1.26 -1.47 117.46 116.71 3kdz n PHE 197 Ca 0.05 0.99 0.00 0.00 -0.05 0.00 0.00 57.45 58.44 3kdz n PHE 197 Cb 0.36 -1.99 0.00 0.00 -0.94 0.00 0.00 39.48 36.91 3kdz n PHE 197 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3kdz n LYS 198 N 3.86 0.00 0.19 -1.08 4.81 -1.26 -4.85 118.16 119.83 3kdz n LYS 198 Ca 0.30 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.79 3kdz n LYS 198 Cb -0.05 -2.64 0.39 0.00 0.02 0.00 0.00 35.03 32.75 3kdz n LYS 198 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3kdz h GLU 199 N 1.36 0.00 -0.01 1.64 5.08 -1.60 -1.75 114.58 119.29 3kdz h GLU 199 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 3kdz h GLU 199 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 3kdz h GLU 199 CO 0.00 0.35 -0.46 0.78 -1.00 0.00 0.00 179.01 178.68 3kdz h GLY 200 N 1.57 0.37 0.97 -3.84 0.00 -1.85 -3.01 103.07 97.28 3kdz h GLY 200 Ca -0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 3kdz h GLY 200 CO 0.05 0.56 0.20 -2.00 0.00 0.00 0.00 176.54 175.34 3kdz h LEU 201 N -0.23 0.42 -1.42 3.11 5.85 -1.85 -2.89 115.31 118.30 3kdz h LEU 201 Ca -0.05 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3kdz h LEU 201 Cb 1.18 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 3kdz h LEU 201 CO 0.09 0.36 0.16 0.00 -0.34 0.00 0.00 178.44 178.71 3kdz h ALA 202 N 1.08 1.55 -0.17 1.25 0.00 -1.41 0.43 119.26 121.99 3kdz h ALA 202 Ca 0.12 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3kdz h ALA 202 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kdz h ALA 202 CO -0.02 0.35 -0.26 -0.07 0.00 0.00 0.00 179.25 179.25 3kdz h LEU 203 N 0.55 0.32 0.00 0.00 3.38 -1.37 -3.34 115.31 114.86 3kdz h LEU 203 Ca 0.14 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3kdz h LEU 203 Cb 0.10 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3kdz h LEU 203 CO -0.02 0.58 -1.71 2.30 0.09 0.00 0.00 178.44 179.69 3kdz n ILE 204 N -4.14 0.28 -1.17 1.22 -5.35 -0.89 -4.79 119.36 104.53 3kdz n ILE 204 Ca -0.01 -0.39 -0.25 0.00 -0.27 0.00 0.00 62.75 61.84 3kdz n ILE 204 Cb 0.38 -0.09 -0.10 0.00 -1.74 0.00 0.00 39.64 38.09 3kdz n ILE 204 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3kdz n ASN 205 N -2.14 6.88 -1.71 7.28 5.15 0.15 -4.04 115.26 126.83 3kdz n ASN 205 Ca -0.08 -2.55 -0.05 0.00 -0.60 0.00 0.00 54.58 51.29 3kdz n ASN 205 Cb 0.54 -1.47 -0.01 0.00 -0.53 0.00 0.00 39.78 38.30 3kdz n ASN 205 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kdz n GLY 206 N 2.91 2.67 1.69 8.20 0.00 -1.26 -3.69 105.19 115.70 3kdz n GLY 206 Ca 0.59 -1.43 0.08 0.00 0.00 0.00 0.00 46.02 45.26 3kdz n GLY 206 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kdz n THR 207 N -0.21 2.36 0.04 2.61 -2.24 -1.26 -1.93 114.28 113.65 3kdz n THR 207 Ca -0.00 -1.36 0.16 0.00 -2.27 0.00 0.00 64.05 60.57 3kdz n THR 207 Cb 0.21 -0.11 0.64 0.00 -2.10 0.00 0.00 70.33 68.97 3kdz n THR 207 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3kdz h SER 208 N 3.84 0.07 0.28 3.42 0.02 -1.90 0.16 113.55 119.44 3kdz h SER 208 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3kdz h SER 208 Cb 1.73 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.26 3kdz h SER 208 CO 0.37 0.04 -0.14 1.23 -1.14 0.00 0.00 176.83 177.19 3kdz h GLY 209 N 0.08 -0.47 1.73 -3.77 0.00 -1.87 0.26 103.07 99.04 3kdz h GLY 209 Ca 0.20 0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.66 3kdz h GLY 209 CO -0.02 -0.17 -0.10 0.00 0.00 0.00 0.00 176.54 176.26 3kdz h MET 210 N -0.39 0.33 -0.01 4.80 -0.00 -1.85 -2.43 114.93 115.39 3kdz h MET 210 Ca -0.04 -0.08 -0.15 0.00 -0.00 0.00 0.00 59.70 59.44 3kdz h MET 210 Cb 0.30 -0.05 -0.02 0.00 -0.00 0.00 0.00 31.60 31.83 3kdz h MET 210 CO 0.06 0.44 -0.69 1.15 -0.00 0.00 0.00 176.91 177.87 3kdz h THR 211 N 0.32 1.48 -0.00 -0.10 2.02 -0.97 0.24 112.91 115.90 3kdz h THR 211 Ca 0.07 -2.32 -0.02 0.00 0.77 0.00 0.00 66.41 64.90 3kdz h THR 211 Cb 0.38 2.25 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 3kdz h THR 211 CO 0.02 0.67 -0.09 1.23 0.37 0.00 0.00 175.52 177.72 3kdz h GLY 212 N 1.98 0.07 0.91 2.16 0.00 -0.74 -2.68 103.07 104.76 3kdz h GLY 212 Ca -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 3kdz h GLY 212 CO 0.09 0.10 0.10 -2.00 0.00 0.00 0.00 176.54 174.83 3kdz h LEU 213 N -0.70 0.49 -1.30 3.11 5.85 -1.49 -2.74 115.31 118.53 3kdz h LEU 213 Ca -0.01 -0.21 0.11 0.00 0.84 0.00 0.00 57.88 58.61 3kdz h LEU 213 Cb 0.87 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.71 3kdz h LEU 213 CO 0.02 0.57 0.55 1.23 -0.34 0.00 0.00 178.44 180.47 3kdz h GLY 214 N 0.39 1.14 0.88 3.75 0.00 -0.63 -1.07 103.07 107.53 3kdz h GLY 214 Ca 0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 3kdz h GLY 214 CO -0.00 0.15 0.07 1.76 0.00 0.00 0.00 176.54 178.51 3kdz h SER 215 N 0.74 0.24 -0.27 0.19 0.02 -1.17 -0.32 113.55 112.99 3kdz h SER 215 Ca 0.41 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 61.20 3kdz h SER 215 Cb 0.55 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 3kdz h SER 215 CO -0.17 0.34 0.15 -0.07 -1.14 0.00 0.00 176.83 175.95 3kdz h LEU 216 N 0.12 0.25 0.50 5.07 3.38 -1.23 -0.80 115.31 122.61 3kdz h LEU 216 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3kdz h LEU 216 Cb 0.18 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3kdz h LEU 216 CO -0.00 0.19 -0.24 0.58 0.09 0.00 0.00 178.44 179.05 3kdz h VAL 217 N 0.32 0.51 -0.70 1.22 2.07 -1.10 -0.55 116.25 118.02 3kdz h VAL 217 Ca 0.10 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.60 3kdz h VAL 217 Cb -0.00 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 3kdz h VAL 217 CO -0.05 0.01 0.46 0.58 0.02 0.00 0.00 177.57 178.59 3kdz h VAL 218 N -0.69 1.17 -0.29 2.57 2.07 -1.01 0.83 116.25 120.90 3kdz h VAL 218 Ca -0.07 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 3kdz h VAL 218 Cb 0.53 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3kdz h VAL 218 CO 0.11 0.17 0.10 1.23 0.02 0.00 0.00 177.57 179.20 3kdz h GLY 219 N 0.94 0.48 1.74 2.17 0.00 -0.97 -2.27 103.07 105.16 3kdz h GLY 219 Ca 0.26 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 47.18 3kdz h GLY 219 CO -0.06 0.26 -0.50 3.21 0.00 0.00 0.00 176.54 179.45 3kdz h ARG 220 N 0.32 0.28 -0.59 4.80 3.08 -0.21 -2.99 114.38 119.07 3kdz h ARG 220 Ca 0.10 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 60.02 3kdz h ARG 220 Cb 0.22 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 3kdz h ARG 220 CO -0.00 0.72 0.35 0.00 -1.07 0.00 0.00 179.97 179.97 3kdz h ALA 221 N 1.25 0.77 -0.57 0.04 0.00 0.97 0.29 119.26 122.02 3kdz h ALA 221 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3kdz h ALA 221 Cb 0.96 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3kdz h ALA 221 CO 0.08 0.07 0.28 -0.07 0.00 0.00 0.00 179.25 179.61 3kdz h LEU 222 N 0.69 0.74 -1.48 0.00 3.38 -1.31 0.58 115.31 117.90 3kdz h LEU 222 Ca 0.24 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3kdz h LEU 222 Cb 0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3kdz h LEU 222 CO -0.12 0.66 0.06 -0.33 0.09 0.00 0.00 178.44 178.80 3kdz h GLU 223 N 0.77 0.40 -0.21 1.13 5.08 -1.24 -0.80 114.58 119.71 3kdz h GLU 223 Ca 0.19 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 3kdz h GLU 223 Cb 0.11 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3kdz h GLU 223 CO -0.03 0.38 -0.43 0.37 -1.00 0.00 0.00 179.01 178.30 3kdz h GLN 224 N 0.40 0.51 -0.51 2.33 4.15 0.78 -0.63 115.11 122.14 3kdz h GLN 224 Ca 0.10 -0.27 -0.10 0.00 0.77 0.00 0.00 58.65 59.15 3kdz h GLN 224 Cb 0.17 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3kdz h GLN 224 CO -0.00 0.85 -0.08 0.00 -1.93 0.00 0.00 178.83 177.67 3kdz h ALA 225 N 1.11 0.91 -0.22 3.38 0.00 -0.06 -0.69 119.26 123.69 3kdz h ALA 225 Ca 0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3kdz h ALA 225 Cb 0.93 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3kdz h ALA 225 CO 0.08 0.64 0.10 1.96 0.00 0.00 0.00 179.25 182.03 3kdz h GLN 226 N 0.83 0.32 0.00 0.00 4.20 -0.75 -1.14 115.11 118.56 3kdz h GLN 226 Ca 0.14 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 3kdz h GLN 226 Cb 0.60 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 3kdz h GLN 226 CO 0.04 0.34 -0.14 1.96 -0.67 0.00 0.00 178.83 180.35 3kdz h GLN 227 N 0.22 0.00 -0.18 1.46 4.20 -0.92 0.98 115.11 120.86 3kdz h GLN 227 Ca 0.08 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.69 3kdz h GLN 227 Cb 0.13 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 3kdz h GLN 227 CO -0.01 0.14 -0.24 0.00 -0.67 0.00 0.00 178.83 178.06 3kdz h ALA 228 N 1.86 0.28 -0.35 3.87 0.00 -0.70 -1.41 119.26 122.81 3kdz h ALA 228 Ca -0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 3kdz h ALA 228 Cb 0.57 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3kdz h ALA 228 CO 0.02 0.24 -0.05 0.93 0.00 0.00 0.00 179.25 180.39 3kdz h GLU 229 N 0.14 0.57 -0.02 0.00 5.08 -0.44 -0.57 114.58 119.34 3kdz h GLU 229 Ca 0.02 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3kdz h GLU 229 Cb 0.80 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 3kdz h GLU 229 CO 0.06 0.63 -0.00 0.82 -1.00 0.00 0.00 179.01 179.52 3kdz h ILE 230 N 0.53 1.25 0.00 3.13 2.04 -0.66 -1.71 117.51 122.10 3kdz h ILE 230 Ca 0.11 -0.75 -0.11 0.00 1.00 0.00 0.00 64.86 65.11 3kdz h ILE 230 Cb 0.42 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 3kdz h ILE 230 CO 0.02 0.20 -0.51 1.62 0.00 0.00 0.00 178.15 179.48 3kdz h VAL 231 N -0.28 1.33 -0.54 1.67 3.04 -1.13 -2.41 116.25 117.94 3kdz h VAL 231 Ca 0.00 -1.76 -0.07 0.00 -1.01 0.00 0.00 66.70 63.87 3kdz h VAL 231 Cb 0.32 1.96 -0.02 0.00 -2.01 0.00 0.00 31.29 31.54 3kdz h VAL 231 CO 0.00 0.50 0.05 0.74 -1.01 0.00 0.00 177.57 177.85 3kdz h THR 232 N 0.00 1.26 -0.09 3.17 2.02 -1.02 -0.73 112.91 117.52 3kdz h THR 232 Ca -0.01 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.16 3kdz h THR 232 Cb 0.91 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 3kdz h THR 232 CO 0.07 0.36 0.05 0.00 0.37 0.00 0.00 175.52 176.37 3kdz h ALA 233 N 0.97 0.11 -0.18 6.16 0.00 -1.12 0.74 119.26 125.95 3kdz h ALA 233 Ca 0.16 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3kdz h ALA 233 Cb 0.46 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3kdz h ALA 233 CO 0.02 -0.41 -0.07 1.25 0.00 0.00 0.00 179.25 180.04 3kdz h LEU 234 N 0.11 -0.23 -0.71 0.00 5.85 -1.22 -1.38 115.31 117.72 3kdz h LEU 234 Ca 0.04 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3kdz h LEU 234 Cb -0.00 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3kdz h LEU 234 CO -0.02 -0.09 0.43 0.25 -0.34 0.00 0.00 178.44 178.68 3kdz h LEU 235 N -0.04 0.70 -1.12 2.25 5.85 -0.84 0.86 115.31 122.98 3kdz h LEU 235 Ca 0.09 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3kdz h LEU 235 Cb 0.18 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3kdz h LEU 235 CO -0.20 0.48 0.33 0.40 -0.34 0.00 0.00 178.44 179.11 3kdz h ILE 236 N 0.84 1.21 -0.28 4.05 2.04 -0.40 -1.98 117.51 122.99 3kdz h ILE 236 Ca 0.29 -0.59 -0.17 0.00 1.00 0.00 0.00 64.86 65.40 3kdz h ILE 236 Cb 0.06 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3kdz h ILE 236 CO -0.13 0.25 -0.51 -0.33 0.00 0.00 0.00 178.15 177.43 3kdz h GLU 237 N 0.95 0.79 -0.01 2.37 5.08 -0.32 -0.08 114.58 123.34 3kdz h GLU 237 Ca 0.24 -0.48 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3kdz h GLU 237 Cb 0.08 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3kdz h GLU 237 CO -0.03 1.11 -0.10 0.00 -1.00 0.00 0.00 179.01 178.98 3kdz h ALA 238 N 0.80 1.81 -0.38 3.43 0.00 -0.27 -2.56 119.26 122.09 3kdz h ALA 238 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kdz h ALA 238 Cb 1.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3kdz h ALA 238 CO 0.11 0.15 0.00 1.33 0.00 0.00 0.00 179.25 180.84 3kdz n VAL 239 N -4.41 0.77 -3.56 0.00 0.24 -0.80 -4.88 118.33 105.69 3kdz n VAL 239 Ca -0.02 -0.88 -0.23 0.00 -2.04 0.00 0.00 64.34 61.16 3kdz n VAL 239 Cb 0.18 0.69 0.08 0.00 -1.47 0.00 0.00 33.84 33.32 3kdz n VAL 239 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3kdz n ARG 240 N 0.93 -7.76 -1.06 7.34 1.74 -0.73 -4.99 116.66 112.12 3kdz n ARG 240 Ca 0.15 0.81 -0.29 0.00 -0.77 0.00 0.00 57.85 57.75 3kdz n ARG 240 Cb 0.47 -5.81 0.20 0.00 -1.02 0.00 0.00 32.46 26.31 3kdz n ARG 240 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3kdz s GLY 241 N -3.30 1.56 0.52 -0.13 0.00 -0.12 -4.26 107.32 101.58 3kdz s GLY 241 Ca 0.57 -0.43 -0.17 0.00 0.00 0.00 0.00 44.72 44.69 3kdz s GLY 241 CO 0.71 0.24 0.99 -0.45 0.00 0.00 0.00 173.10 174.59 3kdz s SER 242 N -3.38 6.55 0.00 1.64 0.15 -1.26 -2.29 113.70 115.11 3kdz s SER 242 Ca 0.67 1.61 0.16 0.00 0.70 0.00 0.00 55.95 59.09 3kdz s SER 242 Cb -0.18 -2.51 0.03 0.00 -1.71 0.00 0.00 66.02 61.65 3kdz s SER 242 CO 0.58 -0.64 0.91 0.35 1.20 0.00 0.00 173.24 175.65 3kdz n THR 243 N -1.55 0.00 -0.36 6.45 -2.24 -0.41 -4.63 114.28 111.54 3kdz n THR 243 Ca 0.07 -0.38 0.05 0.00 -2.27 0.00 0.00 64.05 61.52 3kdz n THR 243 Cb 0.54 1.24 0.22 0.00 -2.10 0.00 0.00 70.33 70.22 3kdz n THR 243 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3kdz h SER 244 N 2.24 0.97 0.21 3.42 0.87 -1.94 -2.08 113.55 117.24 3kdz h SER 244 Ca 0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3kdz h SER 244 Cb 0.60 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 3kdz h SER 244 CO 0.00 0.57 0.00 -0.81 -0.53 0.00 0.00 176.83 176.06 3kdz n PRO 245 N -4.55 0.12 0.00 2.24 -0.04 -1.26 -2.06 135.00 129.45 3kdz n PRO 245 Ca 0.17 0.21 0.10 0.00 -0.04 0.00 0.00 63.50 63.94 3kdz n PRO 245 Cb 0.27 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.27 3kdz n PRO 245 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3kdz n PHE 246 N -1.31 0.00 -1.69 0.54 3.72 -0.78 -4.89 117.46 113.04 3kdz n PHE 246 Ca 0.04 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.00 3kdz n PHE 246 Cb 0.08 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 3kdz n PHE 246 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3kdz n LEU 247 N 0.57 3.42 -0.35 4.37 4.77 -0.87 -4.71 117.00 124.20 3kdz n LEU 247 Ca 0.10 1.12 0.13 0.00 -0.03 0.00 0.00 56.01 57.33 3kdz n LEU 247 Cb 0.48 -1.47 0.32 0.00 -2.33 0.00 0.00 43.42 40.42 3kdz n LEU 247 CO 0.20 -0.25 1.20 0.00 -1.33 0.00 0.00 177.39 177.20 3kdz h ALA 248 N 5.04 1.68 0.00 -1.18 0.00 -1.93 -1.62 119.26 121.25 3kdz h ALA 248 Ca -0.45 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3kdz h ALA 248 Cb 1.25 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3kdz h ALA 248 CO 0.82 -0.05 -0.01 1.05 0.00 0.00 0.00 179.25 181.05 3kdz h GLU 249 N 0.76 0.00 0.00 0.00 9.09 -1.97 0.59 114.58 123.06 3kdz h GLU 249 Ca 0.58 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.99 3kdz h GLU 249 Cb 0.90 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.00 3kdz h GLU 249 CO -0.37 0.01 0.00 0.41 0.05 0.00 0.00 179.01 179.11 3kdz n GLY 250 N -1.17 -1.48 1.28 1.06 0.00 -0.61 -2.06 105.19 102.21 3kdz n GLY 250 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3kdz n GLY 250 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kdz n HIS 251 N -1.74 -0.54 -0.33 1.61 8.25 -0.58 -3.32 115.22 118.57 3kdz n HIS 251 Ca 0.06 0.09 0.15 0.00 -0.26 0.00 0.00 57.72 57.76 3kdz n HIS 251 Cb 0.33 0.14 0.37 0.00 1.12 0.00 0.00 29.99 31.95 3kdz n HIS 251 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3kdz h ASP 252 N 0.00 0.70 0.00 0.41 5.19 -1.15 -1.26 116.42 120.31 3kdz h ASP 252 Ca 0.00 0.09 -0.30 0.00 -0.62 0.00 0.00 57.03 56.19 3kdz h ASP 252 Cb 0.00 -0.04 -0.05 0.00 0.18 0.00 0.00 39.33 39.42 3kdz h ASP 252 CO 0.00 0.24 -2.12 -0.38 -3.12 0.00 0.00 179.24 173.86 3kdz n ILE 253 N -4.72 1.12 0.04 0.35 5.41 -1.24 -4.52 119.36 115.80 3kdz n ILE 253 Ca 0.23 -0.40 -0.22 0.00 1.00 0.00 0.00 62.75 63.36 3kdz n ILE 253 Cb 0.62 -1.31 -0.14 0.00 -0.71 0.00 0.00 39.64 38.10 3kdz n ILE 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kdz h ALA 254 N -0.15 0.10 -2.45 -1.39 0.00 -1.47 -3.43 119.26 110.46 3kdz h ALA 254 Ca -0.45 -1.01 -0.59 0.00 0.00 0.00 0.00 54.91 52.85 3kdz h ALA 254 Cb 1.63 0.38 -0.39 0.00 0.00 0.00 0.00 17.79 19.41 3kdz h ALA 254 CO -0.12 0.78 -0.89 -2.13 0.00 0.00 0.00 179.25 176.89 3kdz n ARG 255 N -3.87 0.74 -0.67 0.00 0.63 -0.79 -4.96 116.66 107.74 3kdz n ARG 255 Ca -0.22 -3.54 -0.10 0.00 -0.92 0.00 0.00 57.85 53.06 3kdz n ARG 255 Cb 0.94 -1.77 -0.10 0.00 0.45 0.00 0.00 32.46 31.99 3kdz n ARG 255 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3kdz n PRO 256 N 2.33 1.43 -2.81 -0.14 -0.04 -0.54 -4.53 135.00 130.70 3kdz n PRO 256 Ca 0.27 -0.77 -0.41 0.00 -0.04 0.00 0.00 63.50 62.55 3kdz n PRO 256 Cb 0.46 -1.91 -0.04 0.00 -0.04 0.00 0.00 33.50 31.96 3kdz n PRO 256 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3kdz s HIS 257 N 1.92 3.70 0.14 0.54 3.76 -1.26 -4.95 115.29 119.14 3kdz s HIS 257 Ca 0.43 1.63 -0.23 0.00 -0.15 0.00 0.00 55.06 56.74 3kdz s HIS 257 Cb 0.19 -3.01 -0.00 0.00 1.11 0.00 0.00 32.58 30.87 3kdz s HIS 257 CO -0.01 0.11 1.65 1.49 -0.85 0.00 0.00 174.74 177.13 3kdz h GLU 258 N 6.28 -0.24 -0.98 1.40 4.81 -1.94 -1.67 114.58 122.24 3kdz h GLU 258 Ca -0.42 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 58.92 3kdz h GLU 258 Cb 1.21 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.57 3kdz h GLU 258 CO 0.74 -0.16 0.63 0.78 -0.73 0.00 0.00 179.01 180.26 3kdz h GLY 259 N -0.25 1.52 1.19 1.92 0.00 -1.92 -0.94 103.07 104.59 3kdz h GLY 259 Ca 0.11 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 3kdz h GLY 259 CO -0.30 0.24 -0.00 -1.61 0.00 0.00 0.00 176.54 174.86 3kdz h GLN 260 N 1.04 0.98 -0.48 4.80 4.15 -1.50 -1.57 115.11 122.53 3kdz h GLN 260 Ca 0.46 -0.30 -0.04 0.00 0.77 0.00 0.00 58.65 59.54 3kdz h GLN 260 Cb 0.35 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 3kdz h GLN 260 CO -0.21 0.96 0.15 0.82 -1.93 0.00 0.00 178.83 178.63 3kdz h ILE 261 N 0.90 1.22 0.04 2.39 2.04 -0.46 -2.09 117.51 121.55 3kdz h ILE 261 Ca 0.16 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.28 3kdz h ILE 261 Cb 0.53 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3kdz h ILE 261 CO 0.03 0.27 -0.02 0.44 0.00 0.00 0.00 178.15 178.87 3kdz h ASP 262 N 0.63 -0.04 -0.44 1.72 3.32 -0.83 -1.14 116.42 119.65 3kdz h ASP 262 Ca 0.15 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3kdz h ASP 262 Cb 0.26 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3kdz h ASP 262 CO -0.01 0.01 0.23 0.74 -1.72 0.00 0.00 179.24 178.49 3kdz h THR 263 N -0.09 1.16 -0.17 0.35 2.02 -1.26 0.18 112.91 115.11 3kdz h THR 263 Ca -0.00 -0.42 0.03 0.00 0.77 0.00 0.00 66.41 66.78 3kdz h THR 263 Cb 0.07 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 3kdz h THR 263 CO 0.01 0.17 -0.03 0.00 0.37 0.00 0.00 175.52 176.04 3kdz h ALA 264 N 1.08 0.12 -0.46 6.16 0.00 -1.27 0.11 119.26 125.01 3kdz h ALA 264 Ca 0.15 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3kdz h ALA 264 Cb 0.06 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3kdz h ALA 264 CO -0.02 -0.47 0.29 0.00 0.00 0.00 0.00 179.25 179.05 3kdz h ALA 265 N 1.17 0.58 -0.89 0.00 0.00 -0.89 -0.60 119.26 118.64 3kdz h ALA 265 Ca 0.08 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3kdz h ALA 265 Cb 0.12 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3kdz h ALA 265 CO -0.17 0.01 0.59 -0.91 0.00 0.00 0.00 179.25 178.77 3kdz h ASN 266 N 0.60 1.01 -0.64 0.00 2.35 -0.11 -1.48 115.58 117.30 3kdz h ASN 266 Ca 0.17 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.86 3kdz h ASN 266 Cb -0.04 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.05 3kdz h ASN 266 CO -0.05 0.73 0.26 0.24 -1.65 0.00 0.00 177.43 176.96 3kdz h MET 267 N 1.19 0.95 -0.65 0.81 2.86 -0.22 -0.58 114.93 119.30 3kdz h MET 267 Ca 0.33 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3kdz h MET 267 Cb -0.12 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.35 3kdz h MET 267 CO -0.08 0.80 0.36 0.00 1.06 0.00 0.00 176.91 179.05 3kdz h ARG 268 N 0.90 0.90 -0.32 1.72 3.08 -0.64 -2.02 114.38 118.00 3kdz h ARG 268 Ca 0.21 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 60.05 3kdz h ARG 268 Cb 0.19 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3kdz h ARG 268 CO -0.02 0.68 -0.25 0.00 -1.07 0.00 0.00 179.97 179.31 3kdz h ALA 269 N 1.17 0.96 -0.00 0.04 0.00 -0.98 -2.33 119.26 118.11 3kdz h ALA 269 Ca 0.23 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 3kdz h ALA 269 Cb 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3kdz h ALA 269 CO -0.04 0.61 -0.57 -0.07 0.00 0.00 0.00 179.25 179.18 3kdz h LEU 270 N 0.56 0.02 -2.00 0.00 3.38 -0.75 -3.12 115.31 113.40 3kdz h LEU 270 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kdz h LEU 270 Cb 0.72 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3kdz h LEU 270 CO 0.06 0.58 0.00 0.23 0.09 0.00 0.00 178.44 179.40 3kdz n MET 271 N -3.86 2.35 -1.69 1.13 2.81 -0.79 -4.36 117.12 112.70 3kdz n MET 271 Ca -0.01 -1.99 -0.44 0.00 -1.81 0.00 0.00 57.70 53.45 3kdz n MET 271 Cb 0.58 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.57 3kdz n MET 271 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 3kdz n ARG 272 N 1.33 2.61 -0.66 0.03 0.00 -0.88 -1.95 116.66 117.12 3kdz n ARG 272 Ca 0.16 0.94 0.00 0.00 -0.00 0.00 0.00 57.85 58.96 3kdz n ARG 272 Cb 0.59 -2.80 0.00 0.00 0.00 0.00 0.00 32.46 30.25 3kdz n ARG 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kdz n GLY 273 N 4.00 0.62 3.76 5.14 0.00 -1.26 -4.39 105.19 113.06 3kdz n GLY 273 Ca 0.18 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 3kdz n GLY 273 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kdz s SER 274 N -2.37 7.51 0.00 1.61 0.15 -0.82 -4.45 113.70 115.33 3kdz s SER 274 Ca 0.00 1.88 0.17 0.00 0.70 0.00 0.00 55.95 58.69 3kdz s SER 274 Cb 0.00 -2.59 0.20 0.00 -1.71 0.00 0.00 66.02 61.93 3kdz s SER 274 CO 0.00 0.09 1.11 0.61 1.20 0.00 0.00 173.24 176.24 3kdz n GLY 275 N 1.18 0.76 0.01 9.45 0.00 0.33 -4.43 105.19 112.49 3kdz n GLY 275 Ca -0.01 -0.50 0.08 0.00 0.00 0.00 0.00 46.02 45.59 3kdz n GLY 275 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kdz n LEU 276 N 0.96 0.13 -4.86 0.99 4.77 -1.10 -4.96 117.00 112.93 3kdz n LEU 276 Ca 0.11 -0.09 -0.31 0.00 -0.03 0.00 0.00 56.01 55.70 3kdz n LEU 276 Cb 0.44 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 3kdz n LEU 276 CO 0.11 0.03 0.44 0.42 -1.33 0.00 0.00 177.39 177.06 3kdz s THR 277 N -3.06 4.73 0.47 -5.08 -4.23 -1.26 -4.21 115.64 103.00 3kdz s THR 277 Ca -0.04 0.79 0.04 0.00 -1.18 0.00 0.00 61.69 61.30 3kdz s THR 277 Cb 0.11 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.24 3kdz s THR 277 CO 0.69 -0.37 0.05 0.68 -0.54 0.00 0.00 174.62 175.14 3kdz s VAL 278 N -2.20 1.61 0.22 2.29 -7.23 -0.97 -5.00 120.40 109.13 3kdz s VAL 278 Ca 0.53 -1.93 0.10 0.00 -1.81 0.00 0.00 61.98 58.87 3kdz s VAL 278 Cb -0.10 -2.55 -0.05 0.00 0.56 0.00 0.00 36.38 34.24 3kdz s VAL 278 CO 0.25 0.00 -0.19 -1.61 -0.31 0.00 0.00 175.10 173.23 3kdz s GLU 279 N -3.85 1.48 0.45 4.82 2.02 -1.26 -1.29 118.70 121.08 3kdz s GLU 279 Ca 0.22 -1.59 0.22 0.00 0.02 0.00 0.00 54.97 53.84 3kdz s GLU 279 Cb 0.05 -1.56 1.22 0.00 0.10 0.00 0.00 34.13 33.94 3kdz s GLU 279 CO 0.12 0.30 1.85 1.25 0.02 0.00 0.00 175.26 178.80 3kdz h HIS 280 N 2.76 0.39 -0.55 1.61 -0.00 -1.96 0.12 115.15 117.52 3kdz h HIS 280 Ca -0.42 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 59.91 3kdz h HIS 280 Cb 1.23 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 28.50 3kdz h HIS 280 CO 0.73 0.08 0.11 0.00 -0.00 0.00 0.00 177.93 178.86 3kdz h ALA 281 N 1.59 1.16 0.00 5.26 0.00 -1.99 -1.37 119.26 123.91 3kdz h ALA 281 Ca 0.48 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3kdz h ALA 281 Cb 1.42 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3kdz h ALA 281 CO -0.14 0.56 -0.12 -0.44 0.00 0.00 0.00 179.25 179.10 3kdz h ASP 282 N 0.82 0.00 0.07 0.00 3.32 -1.16 -1.33 116.42 118.15 3kdz h ASP 282 Ca 0.18 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.01 3kdz h ASP 282 Cb 0.33 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3kdz h ASP 282 CO 0.00 0.12 -1.10 -0.07 -1.72 0.00 0.00 179.24 176.48 3kdz h LEU 283 N 0.00 0.23 -1.09 1.55 3.38 -1.23 -1.63 115.31 116.53 3kdz h LEU 283 Ca -0.00 -0.81 -0.07 0.00 0.09 0.00 0.00 57.88 57.09 3kdz h LEU 283 Cb 0.65 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3kdz h LEU 283 CO 0.02 1.47 -0.14 0.08 0.09 0.00 0.00 178.44 179.96 3kdz h ARG 284 N -0.58 0.49 -0.07 1.13 0.11 -1.27 0.58 114.38 114.76 3kdz h ARG 284 Ca -0.25 -0.14 -0.11 0.00 0.10 0.00 0.00 59.98 59.58 3kdz h ARG 284 Cb 1.52 -0.05 0.01 0.00 1.11 0.00 0.00 29.97 32.56 3kdz h ARG 284 CO -0.01 0.62 -0.38 -0.09 0.10 0.00 0.00 179.97 180.21 3kdz h ARG 285 N 0.45 0.39 0.00 0.08 2.43 -1.36 -0.45 114.38 115.92 3kdz h ARG 285 Ca 0.08 -0.32 -0.05 0.00 -0.81 0.00 0.00 59.98 58.88 3kdz h ARG 285 Cb 0.51 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 3kdz h ARG 285 CO 0.03 0.96 -0.23 1.49 -1.51 0.00 0.00 179.97 180.72 3kdz h GLU 286 N -0.09 0.00 -0.17 0.20 4.81 -1.05 -2.72 114.58 115.58 3kdz h GLU 286 Ca -0.03 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.99 3kdz h GLU 286 Cb 1.04 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.43 3kdz h GLU 286 CO 0.08 0.23 -0.74 -0.07 -0.73 0.00 0.00 179.01 177.78 3kdz h LEU 287 N 0.00 0.94 -0.81 1.64 3.38 0.37 -3.14 115.31 117.68 3kdz h LEU 287 Ca -0.00 -0.62 0.13 0.00 0.09 0.00 0.00 57.88 57.48 3kdz h LEU 287 Cb 0.58 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 40.96 3kdz h LEU 287 CO 0.03 1.40 0.41 1.56 0.09 0.00 0.00 178.44 181.93 3kdz h GLN 288 N 0.54 0.59 0.63 1.13 4.20 -0.75 -0.89 115.11 120.56 3kdz h GLN 288 Ca -0.05 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 3kdz h GLN 288 Cb 1.37 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 3kdz h GLN 288 CO 0.15 0.39 -0.45 0.87 -0.67 0.00 0.00 178.83 179.12 3kdz h LYS 289 N 0.61 -1.00 -0.84 1.46 1.57 -1.53 -2.78 116.57 114.06 3kdz h LYS 289 Ca 0.43 0.07 0.20 0.00 -1.87 0.00 0.00 60.65 59.48 3kdz h LYS 289 Cb 0.58 0.23 -0.12 0.00 0.08 0.00 0.00 32.23 32.99 3kdz h LYS 289 CO -0.34 -0.67 0.27 0.22 -0.57 0.00 0.00 179.45 178.36 3kdz h ASP 290 N -1.04 0.13 -4.23 0.86 3.58 -1.32 -3.41 116.42 110.99 3kdz h ASP 290 Ca -0.08 0.16 -0.51 0.00 0.42 0.00 0.00 57.03 57.03 3kdz h ASP 290 Cb 0.86 0.19 0.10 0.00 1.72 0.00 0.00 39.33 42.20 3kdz h ASP 290 CO 0.04 -0.05 0.36 -0.54 -2.88 0.00 0.00 179.24 176.17 3kdz s LYS 291 N -5.96 2.74 0.03 0.28 1.02 -0.41 -5.07 119.74 112.37 3kdz s LYS 291 Ca -0.12 1.29 -0.01 0.00 0.02 0.00 0.00 55.97 57.15 3kdz s LYS 291 Cb 0.24 -1.95 -0.02 0.00 -0.52 0.00 0.00 37.83 35.58 3kdz s LYS 291 CO 0.77 -1.28 -0.01 -1.83 -0.92 0.00 0.00 175.35 172.08 3kdz s GLU 292 N -4.34 0.41 0.00 1.68 -1.05 -1.26 -4.93 118.70 109.22 3kdz s GLU 292 Ca 0.65 -0.74 0.10 0.00 -0.15 0.00 0.00 54.97 54.82 3kdz s GLU 292 Cb -0.19 0.15 0.51 0.00 -0.44 0.00 0.00 34.13 34.17 3kdz s GLU 292 CO 0.45 -0.08 1.20 0.00 0.95 0.00 0.00 175.26 177.79 3kdz n ALA 293 N 1.18 1.65 0.00 -0.84 0.00 -1.26 -3.82 120.51 117.42 3kdz n ALA 293 Ca -0.21 -0.05 -0.00 0.00 0.00 0.00 0.00 53.44 53.18 3kdz n ALA 293 Cb 0.57 -1.16 -0.00 0.00 0.00 0.00 0.00 19.45 18.85 3kdz n ALA 293 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3kdz h GLY 294 N 1.67 -0.01 -2.42 0.00 0.00 -2.03 -3.47 103.07 96.80 3kdz h GLY 294 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.84 3kdz h GLY 294 CO 0.00 -0.00 0.05 1.25 0.00 0.00 0.00 176.54 177.83 3kdz s LYS 295 N -2.53 3.64 -0.22 4.80 2.36 -1.25 -5.06 119.74 121.48 3kdz s LYS 295 Ca -0.00 0.22 -0.03 0.00 -2.55 0.00 0.00 55.97 53.61 3kdz s LYS 295 Cb 0.00 -2.45 -0.20 0.00 -1.05 0.00 0.00 37.83 34.14 3kdz s LYS 295 CO 0.01 -0.05 -0.04 -0.25 1.55 0.00 0.00 175.35 176.57 3kdz n ASP 296 N -1.66 2.02 -3.99 1.43 8.00 -1.26 -4.89 116.55 116.20 3kdz n ASP 296 Ca 0.00 0.03 -0.30 0.00 0.71 0.00 0.00 54.79 55.24 3kdz n ASP 296 Cb 0.55 -0.61 -0.16 0.00 -0.02 0.00 0.00 41.12 40.87 3kdz n ASP 296 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3kdz s VAL 297 N -2.52 1.55 0.03 2.53 -7.23 -1.26 -5.07 120.40 108.43 3kdz s VAL 297 Ca -0.31 -0.85 0.04 0.00 -1.81 0.00 0.00 61.98 59.05 3kdz s VAL 297 Cb 0.09 -1.59 -0.02 0.00 0.56 0.00 0.00 36.38 35.41 3kdz s VAL 297 CO 0.64 0.24 -0.13 -1.10 -0.31 0.00 0.00 175.10 174.45 3kdz s GLN 298 N 1.45 0.92 -0.05 4.82 -0.21 -1.26 -5.13 119.66 120.20 3kdz s GLN 298 Ca 0.01 -0.68 0.04 0.00 0.02 0.00 0.00 55.36 54.75 3kdz s GLN 298 Cb -0.15 -0.91 -0.02 0.00 1.00 0.00 0.00 33.01 32.93 3kdz s GLN 298 CO -0.09 0.23 -0.17 1.03 -2.12 0.00 0.00 175.29 174.17 3kdz s ARG 299 N -0.96 2.47 0.29 2.91 3.00 -1.26 -5.10 118.95 120.29 3kdz s ARG 299 Ca 0.02 -0.76 0.07 0.00 0.00 0.00 0.00 55.73 55.06 3kdz s ARG 299 Cb -0.07 -2.31 -0.06 0.00 0.00 0.00 0.00 34.95 32.51 3kdz s ARG 299 CO 0.01 0.57 -0.07 -1.12 0.00 0.00 0.00 175.30 174.69 3kdz s SER 300 N -0.61 2.95 0.00 0.23 0.01 -1.26 -5.05 113.70 109.96 3kdz s SER 300 Ca 0.09 -1.18 0.12 0.00 1.31 0.00 0.00 55.95 56.29 3kdz s SER 300 Cb -0.11 -0.20 -0.05 0.00 0.21 0.00 0.00 66.02 65.87 3kdz s SER 300 CO 0.01 -0.30 0.61 -1.84 0.41 0.00 0.00 173.24 172.13 3kdz n GLU 301 N -0.61 2.47 -2.83 12.44 0.28 -1.26 -4.87 120.64 126.26 3kdz n GLU 301 Ca -0.05 -0.42 -0.43 0.00 -0.16 0.00 0.00 57.16 56.10 3kdz n GLU 301 Cb 0.63 -1.10 -0.03 0.00 1.43 0.00 0.00 31.44 32.37 3kdz n GLU 301 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3kdz s ILE 302 N -1.71 4.35 0.16 3.84 1.09 -1.26 -5.01 121.20 122.65 3kdz s ILE 302 Ca 0.08 -0.66 -0.31 0.00 -1.10 0.00 0.00 60.65 58.66 3kdz s ILE 302 Cb 0.09 -4.76 -0.09 0.00 -1.06 0.00 0.00 42.46 36.64 3kdz s ILE 302 CO 0.36 -1.54 1.40 -0.31 -0.10 0.00 0.00 174.94 174.75 3kdz s TYR 303 N 3.91 3.19 0.24 3.97 2.02 -1.26 -4.90 117.35 124.52 3kdz s TYR 303 Ca 0.28 0.98 -0.31 0.00 -0.37 0.00 0.00 57.07 57.64 3kdz s TYR 303 Cb -0.12 -3.72 -0.11 0.00 -0.40 0.00 0.00 41.96 37.61 3kdz s TYR 303 CO 0.04 -2.46 1.62 -1.17 -1.57 0.00 0.00 175.55 172.01 3kdz s LEU 304 N 0.63 4.36 0.21 -1.29 1.98 -1.26 -4.71 118.68 118.60 3kdz s LEU 304 Ca 0.63 2.84 -0.32 0.00 -2.89 0.00 0.00 54.13 54.39 3kdz s LEU 304 Cb -0.38 -3.61 -0.12 0.00 0.66 0.00 0.00 46.19 42.73 3kdz s LEU 304 CO 0.34 -0.90 1.72 1.67 -1.89 0.00 0.00 176.35 177.29 3kdz n GLN 305 N 3.12 2.75 0.00 1.98 -0.06 -1.26 -4.90 117.38 119.01 3kdz n GLN 305 Ca 0.12 0.99 0.00 0.00 -2.00 0.00 0.00 57.00 56.11 3kdz n GLN 305 Cb 0.37 -2.84 0.00 0.00 -4.06 0.00 0.00 30.24 23.72 3kdz n GLN 305 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 3kdz n LYS 306 N 3.88 1.61 -1.69 3.69 5.02 -1.26 -5.06 118.16 124.36 3kdz n LYS 306 Ca 0.16 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 56.00 3kdz n LYS 306 Cb 0.35 -0.15 -0.04 0.00 -0.02 0.00 0.00 35.03 35.17 3kdz n LYS 306 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kdz n ALA 307 N -0.15 1.80 -0.28 7.82 0.00 -1.26 -4.72 120.51 123.71 3kdz n ALA 307 Ca 0.00 0.37 -0.02 0.00 0.00 0.00 0.00 53.44 53.79 3kdz n ALA 307 Cb 0.00 -2.48 0.16 0.00 0.00 0.00 0.00 19.45 17.12 3kdz n ALA 307 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3kdz h TYR 308 N 7.47 1.11 -1.41 0.00 0.99 -1.97 -1.45 116.97 121.71 3kdz h TYR 308 Ca -0.46 -0.01 0.45 0.00 2.00 0.00 0.00 58.73 60.71 3kdz h TYR 308 Cb 1.24 -0.36 -0.11 0.00 1.00 0.00 0.00 36.73 38.49 3kdz h TYR 308 CO 0.72 0.74 0.94 0.77 -0.00 0.00 0.00 178.16 181.33 3kdz h SER 309 N 1.15 0.20 -0.00 3.88 0.02 -1.95 0.21 113.55 117.06 3kdz h SER 309 Ca 0.30 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 3kdz h SER 309 Cb -0.03 0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3kdz h SER 309 CO -0.05 -0.13 -0.49 0.18 -1.14 0.00 0.00 176.83 175.19 3kdz n LEU 310 N -4.54 0.87 -0.09 5.07 4.77 -0.61 -4.60 117.00 117.87 3kdz n LEU 310 Ca 0.37 -0.59 -0.16 0.00 -0.03 0.00 0.00 56.01 55.61 3kdz n LEU 310 Cb 1.49 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 42.45 3kdz n LEU 310 CO 0.26 0.19 -1.14 -1.14 -1.33 0.00 0.00 177.39 174.23 3kdz n ARG 311 N -0.93 0.68 -0.04 3.23 0.63 0.52 -4.56 116.66 116.19 3kdz n ARG 311 Ca 0.03 0.14 0.11 0.00 -0.92 0.00 0.00 57.85 57.21 3kdz n ARG 311 Cb 0.22 -1.57 0.48 0.00 0.45 0.00 0.00 32.46 32.04 3kdz n ARG 311 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kdz n ALA 312 N -3.02 2.56 -0.31 5.13 0.00 0.10 -4.58 120.51 120.39 3kdz n ALA 312 Ca -0.38 -0.40 0.03 0.00 0.00 0.00 0.00 53.44 52.69 3kdz n ALA 312 Cb 1.05 -1.18 0.10 0.00 0.00 0.00 0.00 19.45 19.42 3kdz n ALA 312 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3kdz h ILE 313 N 1.62 0.12 -0.86 0.00 1.08 -1.80 0.25 117.51 117.92 3kdz h ILE 313 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 3kdz h ILE 313 Cb 0.35 0.12 -0.04 0.00 -3.07 0.00 0.00 36.82 34.18 3kdz h ILE 313 CO 0.00 0.00 0.51 -0.65 -0.69 0.00 0.00 178.15 177.32 3kdz h PRO 314 N -0.01 1.17 0.20 2.37 0.11 -1.89 -0.94 132.00 133.01 3kdz h PRO 314 Ca 0.40 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 3kdz h PRO 314 Cb 0.63 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.50 3kdz h PRO 314 CO -0.89 0.82 -0.10 1.96 -0.21 0.00 0.00 178.00 179.58 3kdz h GLN 315 N 1.19 -0.26 0.47 1.05 7.50 -0.89 -0.85 115.11 123.32 3kdz h GLN 315 Ca 0.31 0.02 -0.02 0.00 0.50 0.00 0.00 58.65 59.45 3kdz h GLN 315 Cb -0.04 0.06 0.00 0.00 0.05 0.00 0.00 27.48 27.55 3kdz h GLN 315 CO -0.06 0.07 -0.23 0.28 -1.50 0.00 0.00 178.83 177.40 3kdz h VAL 316 N -0.61 0.05 0.00 -0.54 2.07 -1.15 -2.06 116.25 114.01 3kdz h VAL 316 Ca -0.03 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 3kdz h VAL 316 Cb 0.45 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3kdz h VAL 316 CO 0.04 0.01 -0.12 0.58 0.02 0.00 0.00 177.57 178.10 3kdz h VAL 317 N -1.15 0.75 -0.36 2.57 2.07 -1.34 -1.71 116.25 117.08 3kdz h VAL 317 Ca -0.06 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 3kdz h VAL 317 Cb 0.50 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3kdz h VAL 317 CO 0.11 0.12 0.03 1.23 0.02 0.00 0.00 177.57 179.08 3kdz h GLY 318 N 0.63 0.66 1.36 2.17 0.00 -1.16 -0.19 103.07 106.53 3kdz h GLY 318 Ca -0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 3kdz h GLY 318 CO 0.02 0.43 -0.01 0.00 0.00 0.00 0.00 176.54 176.97 3kdz h ALA 319 N 0.88 1.10 -0.38 3.60 0.00 -0.66 -0.97 119.26 122.84 3kdz h ALA 319 Ca 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3kdz h ALA 319 Cb 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3kdz h ALA 319 CO 0.01 0.57 0.21 0.28 0.00 0.00 0.00 179.25 180.32 3kdz h VAL 320 N 0.73 1.15 -0.49 0.00 2.07 -1.02 -1.74 116.25 116.94 3kdz h VAL 320 Ca 0.14 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.34 3kdz h VAL 320 Cb 0.46 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 3kdz h VAL 320 CO 0.02 0.15 0.22 0.03 0.02 0.00 0.00 177.57 178.01 3kdz h ARG 321 N 0.49 0.42 -0.47 1.57 3.08 -0.32 -0.69 114.38 118.46 3kdz h ARG 321 Ca 0.13 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.21 3kdz h ARG 321 Cb 0.05 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 29.96 3kdz h ARG 321 CO -0.02 0.28 0.20 -0.44 -1.07 0.00 0.00 179.97 178.92 3kdz h ASP 322 N 0.43 0.26 -0.30 7.04 3.32 -0.83 0.26 116.42 126.61 3kdz h ASP 322 Ca 0.22 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.33 3kdz h ASP 322 Cb 0.17 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 3kdz h ASP 322 CO -0.18 0.19 0.14 0.74 -1.72 0.00 0.00 179.24 178.40 3kdz h THR 323 N 0.41 0.96 -0.54 0.35 2.02 -0.68 -0.76 112.91 114.66 3kdz h THR 323 Ca 0.21 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.26 3kdz h THR 323 Cb 0.17 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 3kdz h THR 323 CO -0.18 0.05 0.20 -0.07 0.37 0.00 0.00 175.52 175.89 3kdz h LEU 324 N 0.29 0.72 -0.38 2.58 3.38 -0.42 -1.60 115.31 119.89 3kdz h LEU 324 Ca 0.13 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3kdz h LEU 324 Cb 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3kdz h LEU 324 CO -0.10 0.66 0.03 1.88 0.09 0.00 0.00 178.44 180.99 3kdz h TYR 325 N 0.78 0.70 -0.62 1.13 0.05 0.16 -0.60 116.97 118.57 3kdz h TYR 325 Ca 0.18 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.86 3kdz h TYR 325 Cb 0.18 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.70 3kdz h TYR 325 CO 0.01 0.72 0.40 1.25 -1.05 0.00 0.00 178.16 179.49 3kdz h HIS 326 N 0.47 0.78 -0.58 4.88 2.76 -0.79 -1.43 115.15 121.26 3kdz h HIS 326 Ca 0.11 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.21 3kdz h HIS 326 Cb 0.42 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.10 3kdz h HIS 326 CO 0.03 0.51 0.04 0.00 -1.30 0.00 0.00 177.93 177.21 3kdz h ALA 327 N 1.21 0.78 -0.70 5.26 0.00 -1.15 -1.78 119.26 122.88 3kdz h ALA 327 Ca 0.22 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3kdz h ALA 327 Cb -0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3kdz h ALA 327 CO -0.05 0.58 0.26 -0.09 0.00 0.00 0.00 179.25 179.95 3kdz h ARG 328 N 0.89 1.04 -0.07 0.00 2.43 -0.75 0.15 114.38 118.07 3kdz h ARG 328 Ca 0.17 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3kdz h ARG 328 Cb 0.50 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3kdz h ARG 328 CO 0.02 0.86 0.03 1.25 -1.51 0.00 0.00 179.97 180.62 3kdz h HIS 329 N 1.02 0.12 -0.88 2.20 2.76 -1.04 -0.12 115.15 119.20 3kdz h HIS 329 Ca 0.23 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.47 3kdz h HIS 329 Cb 0.22 -0.03 -0.07 0.00 1.55 0.00 0.00 27.41 29.08 3kdz h HIS 329 CO 0.02 0.25 0.54 0.87 -1.30 0.00 0.00 177.93 178.31 3kdz h LYS 330 N -0.05 0.92 -0.36 5.26 1.79 -0.93 -1.00 116.57 122.21 3kdz h LYS 330 Ca 0.02 -0.06 -0.12 0.00 -2.18 0.00 0.00 60.65 58.32 3kdz h LYS 330 Cb 0.19 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 3kdz h LYS 330 CO -0.00 0.61 -0.27 -0.07 -1.08 0.00 0.00 179.45 178.63 3kdz h LEU 331 N 0.95 0.76 -0.20 2.94 3.38 -0.69 -0.50 115.31 121.94 3kdz h LEU 331 Ca 0.40 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3kdz h LEU 331 Cb 0.26 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3kdz h LEU 331 CO -0.20 0.99 0.08 -0.09 0.09 0.00 0.00 178.44 179.31 3kdz h ARG 332 N 0.64 0.30 -0.57 1.13 2.43 -0.07 0.41 114.38 118.65 3kdz h ARG 332 Ca 0.08 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3kdz h ARG 332 Cb 0.78 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.26 3kdz h ARG 332 CO 0.06 0.36 0.32 0.82 -1.51 0.00 0.00 179.97 180.02 3kdz h ILE 333 N 0.17 1.19 -0.21 1.20 2.04 -1.12 -2.91 117.51 117.87 3kdz h ILE 333 Ca 0.07 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 3kdz h ILE 333 Cb 0.17 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3kdz h ILE 333 CO -0.01 0.20 0.03 -0.08 0.00 0.00 0.00 178.15 178.29 3kdz h GLU 334 N 0.77 0.35 -0.80 2.37 4.57 -0.74 -2.84 114.58 118.27 3kdz h GLU 334 Ca 0.20 -0.10 0.16 0.00 -1.18 0.00 0.00 59.36 58.44 3kdz h GLU 334 Cb 0.04 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.53 3kdz h GLU 334 CO -0.03 0.51 0.53 -0.07 -1.18 0.00 0.00 179.01 178.77 3kdz h LEU 335 N 0.14 0.43 -3.34 1.64 3.38 -0.12 -0.92 115.31 116.53 3kdz h LEU 335 Ca 0.06 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3kdz h LEU 335 Cb 0.33 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 3kdz h LEU 335 CO 0.01 0.21 0.12 0.59 0.09 0.00 0.00 178.44 179.46 3kdz n ASN 336 N -4.49 4.82 -4.83 -0.43 3.02 -1.09 -4.28 115.26 107.98 3kdz n ASN 336 Ca 0.16 -2.94 -0.22 0.00 -0.03 0.00 0.00 54.58 51.55 3kdz n ASN 336 Cb 0.55 -0.69 -0.04 0.00 -0.61 0.00 0.00 39.78 38.99 3kdz n ASN 336 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3kdz s SER 337 N -0.74 5.52 -1.24 6.41 1.04 -0.35 -4.65 113.70 119.68 3kdz s SER 337 Ca 0.48 -0.26 -0.06 0.00 0.48 0.00 0.00 55.95 56.59 3kdz s SER 337 Cb 0.37 -1.39 0.19 0.00 0.10 0.00 0.00 66.02 65.29 3kdz s SER 337 CO 0.13 -0.06 2.04 0.00 0.98 0.00 0.00 173.24 176.33 3kdz n ALA 338 N -1.19 6.05 -2.21 5.32 0.00 -1.26 -4.50 120.51 122.70 3kdz n ALA 338 Ca -0.07 -4.32 -0.32 0.00 0.00 0.00 0.00 53.44 48.73 3kdz n ALA 338 Cb 0.58 -2.71 -0.04 0.00 0.00 0.00 0.00 19.45 17.28 3kdz n ALA 338 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kdz s ASN 339 N 0.02 5.59 0.11 0.00 4.22 -1.26 -4.76 114.94 118.85 3kdz s ASN 339 Ca 0.44 -0.88 -0.26 0.00 -2.14 0.00 0.00 52.86 50.02 3kdz s ASN 339 Cb 0.14 -2.56 0.08 0.00 1.28 0.00 0.00 41.25 40.19 3kdz s ASN 339 CO -0.04 -2.33 1.08 -0.62 -2.04 0.00 0.00 177.10 173.14 3kdz s ASP 340 N 7.02 -0.10 -0.24 3.54 2.15 -1.24 -4.09 116.67 123.70 3kdz s ASP 340 Ca 0.62 -0.37 -0.26 0.00 0.43 0.00 0.00 52.55 52.97 3kdz s ASP 340 Cb -0.05 0.39 0.09 0.00 -0.30 0.00 0.00 42.92 43.05 3kdz s ASP 340 CO -0.03 -0.73 0.83 0.21 -0.17 0.00 0.00 175.17 175.29 3kdz s ASN 341 N -3.06 -0.62 0.94 -0.34 2.47 -1.26 -4.16 114.94 108.91 3kdz s ASN 341 Ca 0.15 1.12 -0.16 0.00 0.42 0.00 0.00 52.86 54.40 3kdz s ASN 341 Cb 0.00 1.11 0.19 0.00 -1.45 0.00 0.00 41.25 41.10 3kdz s ASN 341 CO 0.01 -0.26 1.30 -2.16 -3.72 0.00 0.00 177.10 172.27 3kdz s PRO 342 N 0.07 0.79 0.09 0.43 0.04 -1.26 -4.76 135.00 130.40 3kdz s PRO 342 Ca -0.00 -0.34 0.09 0.00 0.04 0.00 0.00 61.00 60.79 3kdz s PRO 342 Cb -0.04 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 3kdz s PRO 342 CO -0.00 -2.32 -0.24 -0.51 0.04 0.00 0.00 177.00 173.97 3kdz s LEU 343 N -5.86 2.25 -0.17 -3.56 1.43 0.46 -4.89 118.68 108.34 3kdz s LEU 343 Ca 0.72 -0.65 -0.06 0.00 -1.03 0.00 0.00 54.13 53.11 3kdz s LEU 343 Cb -0.05 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 3kdz s LEU 343 CO 0.53 0.16 0.04 0.12 0.23 0.00 0.00 176.35 177.42 3kdz s PHE 344 N -0.98 3.20 -0.09 0.29 5.36 -0.80 0.12 117.98 125.08 3kdz s PHE 344 Ca 0.10 -0.01 0.00 0.00 -0.96 0.00 0.00 56.93 56.07 3kdz s PHE 344 Cb -0.10 -2.04 0.02 0.00 -0.34 0.00 0.00 43.02 40.57 3kdz s PHE 344 CO 0.04 0.13 -0.07 -0.06 -1.46 0.00 0.00 175.22 173.79 3kdz s PHE 345 N 0.31 1.29 -0.34 10.12 0.08 -1.26 -4.59 117.98 123.60 3kdz s PHE 345 Ca 0.02 -0.57 -0.43 0.00 0.12 0.00 0.00 56.93 56.06 3kdz s PHE 345 Cb -0.13 -1.09 -0.18 0.00 -0.57 0.00 0.00 43.02 41.05 3kdz s PHE 345 CO 0.01 -0.41 1.58 -1.91 -0.10 0.00 0.00 175.22 174.39 3kdz n GLU 346 N 4.68 0.49 -2.44 0.44 2.13 -1.26 -1.60 120.64 123.07 3kdz n GLU 346 Ca -0.15 0.18 -0.14 0.00 0.66 0.00 0.00 57.16 57.71 3kdz n GLU 346 Cb 0.50 -1.75 0.01 0.00 0.27 0.00 0.00 31.44 30.47 3kdz n GLU 346 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kdz n GLY 347 N 3.74 -0.15 3.29 8.31 0.00 -1.26 -5.02 105.19 114.10 3kdz n GLY 347 Ca 0.28 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3kdz n GLY 347 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kdz s LYS 348 N -4.90 1.31 0.51 1.61 1.02 -0.63 -5.15 119.74 113.51 3kdz s LYS 348 Ca 0.07 -1.58 -0.19 0.00 0.02 0.00 0.00 55.97 54.30 3kdz s LYS 348 Cb -0.03 0.32 -0.07 0.00 -0.52 0.00 0.00 37.83 37.52 3kdz s LYS 348 CO 0.09 -0.46 1.05 -1.21 -0.92 0.00 0.00 175.35 173.90 3kdz s GLU 349 N -4.07 3.69 0.12 1.68 0.41 -1.26 -4.73 118.70 114.53 3kdz s GLU 349 Ca 0.36 1.34 -0.32 0.00 -0.41 0.00 0.00 54.97 55.93 3kdz s GLU 349 Cb 0.05 -2.08 -0.12 0.00 -1.78 0.00 0.00 34.13 30.20 3kdz s GLU 349 CO 0.12 -0.52 1.76 -0.89 -0.49 0.00 0.00 175.26 175.24 3kdz n ILE 350 N -1.20 0.23 -2.40 -1.63 2.08 -1.26 -4.69 119.36 110.50 3kdz n ILE 350 Ca 0.09 -0.04 -0.43 0.00 0.56 0.00 0.00 62.75 62.93 3kdz n ILE 350 Cb 0.53 -1.92 -0.02 0.00 -0.75 0.00 0.00 39.64 37.47 3kdz n ILE 350 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 3kdz s PHE 351 N 2.15 2.78 -0.62 1.39 5.36 0.12 -4.86 117.98 124.29 3kdz s PHE 351 Ca 0.81 0.95 -0.03 0.00 -0.96 0.00 0.00 56.93 57.70 3kdz s PHE 351 Cb -0.56 -3.58 0.16 0.00 -0.34 0.00 0.00 43.02 38.70 3kdz s PHE 351 CO 0.38 -1.81 0.44 -1.01 -1.46 0.00 0.00 175.22 171.76 3kdz s HIS 352 N 3.66 3.41 0.00 10.12 3.76 -1.26 -0.41 115.29 134.57 3kdz s HIS 352 Ca 0.56 -2.72 0.00 0.00 -0.15 0.00 0.00 55.06 52.75 3kdz s HIS 352 Cb -0.22 -3.20 0.00 0.00 1.11 0.00 0.00 32.58 30.28 3kdz s HIS 352 CO 0.16 -0.84 0.00 0.41 -0.85 0.00 0.00 174.74 173.62 3kdz n GLY 353 N 3.49 3.97 2.64 -2.22 0.00 -1.26 -5.09 105.19 106.72 3kdz n GLY 353 Ca 0.08 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 3kdz n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdz n ALA 354 N -3.00 1.89 1.83 4.61 0.00 -1.26 -4.91 120.51 119.67 3kdz n ALA 354 Ca 0.00 -2.18 0.09 0.00 0.00 0.00 0.00 53.44 51.35 3kdz n ALA 354 Cb 0.00 -0.99 0.52 0.00 0.00 0.00 0.00 19.45 18.98 3kdz n ALA 354 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kdz n ASN 355 N -0.22 0.00 0.14 0.00 5.03 -1.26 -2.23 115.26 116.72 3kdz n ASN 355 Ca 0.05 -1.29 0.12 0.00 0.87 0.00 0.00 54.58 54.33 3kdz n ASN 355 Cb 0.81 0.00 0.14 0.00 -1.02 0.00 0.00 39.78 39.70 3kdz n ASN 355 CO 0.00 0.00 0.00 2.19 -1.83 0.00 0.00 177.26 177.62 3kdz h PHE 356 N 0.00 0.00 -2.55 3.10 -5.15 -1.79 -3.31 116.94 107.24 3kdz h PHE 356 Ca 0.00 0.00 -0.56 0.00 -0.20 0.00 0.00 57.97 57.21 3kdz h PHE 356 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.16 3kdz h PHE 356 CO 0.00 0.00 1.19 -1.58 -2.00 0.00 0.00 178.31 175.92 3kdz s HIS 357 N -3.25 1.79 -0.49 6.09 2.46 -0.95 -4.20 115.29 116.75 3kdz s HIS 357 Ca 0.05 0.29 0.03 0.00 0.47 0.00 0.00 55.06 55.90 3kdz s HIS 357 Cb 0.09 -4.01 0.26 0.00 -0.13 0.00 0.00 32.58 28.79 3kdz s HIS 357 CO 0.71 -3.78 1.10 0.41 -2.47 0.00 0.00 174.74 170.71 3kdz n GLY 358 N 4.68 2.37 0.16 1.59 0.00 -0.38 -4.57 105.19 109.05 3kdz n GLY 358 Ca 0.20 -0.34 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 3kdz n GLY 358 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3kdz h GLN 359 N 0.95 0.13 -0.91 1.61 5.75 -1.91 0.23 115.11 120.95 3kdz h GLN 359 Ca 0.09 -0.01 0.16 0.00 -0.15 0.00 0.00 58.65 58.74 3kdz h GLN 359 Cb 1.28 -0.03 -0.10 0.00 1.07 0.00 0.00 27.48 29.71 3kdz h GLN 359 CO 0.26 0.09 0.51 -1.00 -2.65 0.00 0.00 178.83 176.04 3kdz h PRO 360 N 0.13 0.69 0.17 -2.39 0.13 -1.99 0.90 132.00 129.65 3kdz h PRO 360 Ca 0.18 -0.04 -0.30 0.00 -0.87 0.00 0.00 66.00 64.97 3kdz h PRO 360 Cb 0.25 -0.16 0.02 0.00 0.13 0.00 0.00 31.00 31.24 3kdz h PRO 360 CO -0.29 0.46 -1.38 0.82 -0.23 0.00 0.00 178.00 177.38 3kdz h ILE 361 N 0.71 1.37 -0.44 -3.56 1.08 -1.81 -2.26 117.51 112.60 3kdz h ILE 361 Ca 0.50 -2.89 0.05 0.00 -0.39 0.00 0.00 64.86 62.13 3kdz h ILE 361 Cb 0.70 2.95 -0.04 0.00 -3.07 0.00 0.00 36.82 37.36 3kdz h ILE 361 CO -0.36 0.86 0.18 0.00 -0.69 0.00 0.00 178.15 178.14 3kdz h ALA 362 N 0.41 0.54 0.06 1.87 0.00 0.24 0.99 119.26 123.37 3kdz h ALA 362 Ca -0.20 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kdz h ALA 362 Cb 2.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.84 3kdz h ALA 362 CO 0.22 -0.20 -0.03 0.74 0.00 0.00 0.00 179.25 179.99 3kdz h PHE 363 N 0.37 -0.08 -0.36 0.00 0.04 -0.90 -2.22 116.94 113.79 3kdz h PHE 363 Ca 0.20 -0.00 0.08 0.00 2.80 0.00 0.00 57.97 61.05 3kdz h PHE 363 Cb 0.16 0.03 -0.08 0.00 2.20 0.00 0.00 35.95 38.26 3kdz h PHE 363 CO -0.13 0.06 -0.17 0.00 -0.60 0.00 0.00 178.31 177.47 3kdz h ALA 364 N 0.73 0.11 -0.26 2.45 0.00 -0.75 -1.70 119.26 119.84 3kdz h ALA 364 Ca -0.01 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3kdz h ALA 364 Cb 0.17 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3kdz h ALA 364 CO 0.01 -0.54 -0.28 0.52 0.00 0.00 0.00 179.25 178.96 3kdz h MET 365 N -0.11 0.52 -0.90 0.00 2.86 -0.82 -1.79 114.93 114.70 3kdz h MET 365 Ca 0.18 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3kdz h MET 365 Cb 0.38 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 3kdz h MET 365 CO -0.43 0.75 0.54 -0.44 1.06 0.00 0.00 176.91 178.39 3kdz h ASP 366 N 0.46 1.09 -0.51 1.22 3.32 -0.85 0.03 116.42 121.17 3kdz h ASP 366 Ca 0.06 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 3kdz h ASP 366 Cb 0.72 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 3kdz h ASP 366 CO 0.06 0.84 -0.04 -0.26 -1.72 0.00 0.00 179.24 178.11 3kdz h PHE 367 N 1.24 1.05 -0.72 4.55 0.04 -0.94 -2.02 116.94 120.14 3kdz h PHE 367 Ca 0.32 -0.18 -0.06 0.00 2.80 0.00 0.00 57.97 60.85 3kdz h PHE 367 Cb -0.04 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 37.80 3kdz h PHE 367 CO 0.01 0.96 0.22 0.28 -0.60 0.00 0.00 178.31 179.18 3kdz h VAL 368 N 0.88 1.26 -0.26 -0.55 2.07 -0.76 0.52 116.25 119.40 3kdz h VAL 368 Ca 0.15 -0.89 0.03 0.00 0.82 0.00 0.00 66.70 66.81 3kdz h VAL 368 Cb 0.57 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3kdz h VAL 368 CO 0.03 0.35 0.07 0.74 0.02 0.00 0.00 177.57 178.78 3kdz h THR 369 N 1.07 0.90 -0.04 2.57 2.02 -0.51 0.85 112.91 119.77 3kdz h THR 369 Ca 0.23 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.35 3kdz h THR 369 Cb 0.30 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3kdz h THR 369 CO -0.01 0.03 0.01 0.40 0.37 0.00 0.00 175.52 176.33 3kdz h ILE 370 N 0.18 1.17 -0.13 3.11 2.04 -1.02 -1.74 117.51 121.12 3kdz h ILE 370 Ca 0.12 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.51 3kdz h ILE 370 Cb 0.11 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 3kdz h ILE 370 CO -0.14 0.14 -0.06 0.00 0.00 0.00 0.00 178.15 178.09 3kdz h ALA 371 N 0.82 0.06 0.00 1.87 0.00 -0.66 -1.80 119.26 119.54 3kdz h ALA 371 Ca 0.01 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3kdz h ALA 371 Cb 0.21 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3kdz h ALA 371 CO -0.00 -0.51 -0.25 -0.07 0.00 0.00 0.00 179.25 178.42 3kdz h LEU 372 N -0.04 0.00 -0.42 0.00 3.38 -0.82 -1.73 115.31 115.68 3kdz h LEU 372 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3kdz h LEU 372 Cb 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3kdz h LEU 372 CO -0.16 0.25 0.24 0.74 0.09 0.00 0.00 178.44 179.60 3kdz h THR 373 N 0.00 1.15 -0.19 0.22 2.02 -0.49 -1.96 112.91 113.65 3kdz h THR 373 Ca -0.00 -0.36 -0.08 0.00 0.77 0.00 0.00 66.41 66.73 3kdz h THR 373 Cb 0.45 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3kdz h THR 373 CO 0.03 0.15 -0.25 -0.61 0.37 0.00 0.00 175.52 175.21 3kdz h GLN 374 N 0.55 0.35 -0.78 6.66 5.75 -0.74 -1.41 115.11 125.49 3kdz h GLN 374 Ca 0.15 -0.12 0.04 0.00 -0.15 0.00 0.00 58.65 58.57 3kdz h GLN 374 Cb 0.03 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.51 3kdz h GLN 374 CO -0.03 0.58 0.49 1.25 -2.65 0.00 0.00 178.83 178.47 3kdz h LEU 375 N 0.31 0.79 -0.74 -2.39 5.85 -0.68 -1.49 115.31 116.95 3kdz h LEU 375 Ca 0.05 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.65 3kdz h LEU 375 Cb 0.61 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3kdz h LEU 375 CO 0.04 0.53 -0.43 1.23 -0.34 0.00 0.00 178.44 179.47 3kdz h GLY 376 N 0.93 0.47 0.91 3.75 0.00 -0.83 -2.30 103.07 106.00 3kdz h GLY 376 Ca 0.32 -0.48 0.02 0.00 0.00 0.00 0.00 47.33 47.19 3kdz h GLY 376 CO -0.13 0.43 0.27 -2.08 0.00 0.00 0.00 176.54 175.02 3kdz h VAL 377 N 0.35 1.05 -0.11 4.60 2.07 -0.31 -0.87 116.25 123.03 3kdz h VAL 377 Ca 0.03 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3kdz h VAL 377 Cb 0.91 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3kdz h VAL 377 CO 0.08 0.10 0.03 0.25 0.02 0.00 0.00 177.57 178.05 3kdz h LEU 378 N 0.54 0.16 -0.44 2.57 5.85 -1.18 -2.58 115.31 120.21 3kdz h LEU 378 Ca 0.18 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.74 3kdz h LEU 378 Cb 0.00 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3kdz h LEU 378 CO -0.08 0.32 0.20 0.00 -0.34 0.00 0.00 178.44 178.54 3kdz h ALA 379 N 0.84 0.55 -0.86 1.25 0.00 -1.23 -1.55 119.26 118.26 3kdz h ALA 379 Ca 0.03 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3kdz h ALA 379 Cb 0.22 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3kdz h ALA 379 CO -0.00 -0.17 0.57 1.49 0.00 0.00 0.00 179.25 181.13 3kdz h GLU 380 N 0.40 1.02 -0.03 0.00 4.22 -1.10 -0.93 114.58 118.16 3kdz h GLU 380 Ca 0.20 -0.06 -0.13 0.00 0.08 0.00 0.00 59.36 59.45 3kdz h GLU 380 Cb 0.14 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3kdz h GLU 380 CO -0.17 0.68 -0.58 0.00 -2.18 0.00 0.00 179.01 176.76 3kdz h ARG 381 N 1.05 0.09 -0.14 1.92 2.47 -0.99 -1.53 114.38 117.25 3kdz h ARG 381 Ca 0.35 -0.06 -0.14 0.00 -1.26 0.00 0.00 59.98 58.87 3kdz h ARG 381 Cb 0.06 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 3kdz h ARG 381 CO -0.11 0.64 -0.51 1.96 0.56 0.00 0.00 179.97 182.51 3kdz h GLN 382 N 0.07 0.38 0.04 0.04 4.20 -0.38 0.36 115.11 119.82 3kdz h GLN 382 Ca -0.00 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 3kdz h GLN 382 Cb 1.04 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.84 3kdz h GLN 382 CO 0.08 0.81 -0.02 0.82 -0.67 0.00 0.00 178.83 179.85 3kdz h ILE 383 N 0.30 1.11 -0.98 2.54 2.04 -0.91 -2.57 117.51 119.04 3kdz h ILE 383 Ca 0.01 -0.49 0.15 0.00 1.00 0.00 0.00 64.86 65.53 3kdz h ILE 383 Cb 1.00 1.43 -0.09 0.00 -0.74 0.00 0.00 36.82 38.43 3kdz h ILE 383 CO 0.09 0.12 0.62 -1.13 0.00 0.00 0.00 178.15 177.85 3kdz h ASN 384 N -0.27 0.82 -0.27 1.72 -1.24 -0.94 -1.68 115.58 113.72 3kdz h ASN 384 Ca -0.01 0.06 0.05 0.00 0.71 0.00 0.00 56.30 57.12 3kdz h ASN 384 Cb 0.25 -0.10 -0.05 0.00 0.73 0.00 0.00 38.32 39.15 3kdz h ASN 384 CO 0.01 0.38 -0.04 -0.09 -1.29 0.00 0.00 177.43 176.40 3kdz h ARG 385 N 0.85 0.03 0.00 6.67 9.65 -0.55 -1.90 114.38 129.13 3kdz h ARG 385 Ca 0.51 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.38 3kdz h ARG 385 Cb 0.69 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.26 3kdz h ARG 385 CO -0.29 0.02 -0.06 -0.39 2.80 0.00 0.00 179.97 182.05 3kdz h VAL 386 N 0.03 0.11 0.00 0.20 -1.51 -1.02 -3.14 116.25 110.93 3kdz h VAL 386 Ca 0.13 -1.04 0.00 0.00 -1.23 0.00 0.00 66.70 64.56 3kdz h VAL 386 Cb 0.19 1.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 3kdz h VAL 386 CO -0.25 0.06 -0.66 -0.07 -1.23 0.00 0.00 177.57 175.42 3kdz h LEU 387 N 0.00 0.00 -8.66 4.19 3.38 -1.06 -3.41 115.31 109.74 3kdz h LEU 387 Ca -0.00 -0.16 -0.67 0.00 0.09 0.00 0.00 57.88 57.14 3kdz h LEU 387 Cb 0.94 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.52 3kdz h LEU 387 CO 0.01 0.08 -0.16 0.21 0.09 0.00 0.00 178.44 178.67 3kdz s ASN 388 N -4.53 6.24 0.36 -0.43 3.84 -0.74 -1.20 114.94 118.47 3kdz s ASN 388 Ca 0.05 -0.34 0.08 0.00 0.21 0.00 0.00 52.86 52.86 3kdz s ASN 388 Cb 0.12 -2.24 0.80 0.00 -0.55 0.00 0.00 41.25 39.39 3kdz s ASN 388 CO 0.73 -0.50 1.89 0.08 -2.79 0.00 0.00 177.10 176.51 3kdz h ARG 389 N 8.59 0.68 -0.02 0.43 0.11 -1.86 1.32 114.38 123.64 3kdz h ARG 389 Ca -0.28 -0.04 0.01 0.00 0.10 0.00 0.00 59.98 59.77 3kdz h ARG 389 Cb 1.12 -0.15 -0.00 0.00 1.11 0.00 0.00 29.97 32.05 3kdz h ARG 389 CO 0.77 0.45 0.04 0.45 0.10 0.00 0.00 179.97 181.78 3kdz h HIS 390 N 0.70 0.00 0.00 4.08 3.86 -1.93 -2.96 115.15 118.90 3kdz h HIS 390 Ca 0.41 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 3kdz h HIS 390 Cb 0.61 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.08 3kdz h HIS 390 CO -0.00 0.00 -0.19 1.28 0.86 0.00 0.00 177.93 179.88 3kdz n LEU 391 N -3.47 0.00 0.00 2.43 4.77 0.76 -4.82 117.00 116.66 3kdz n LEU 391 Ca -0.02 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 3kdz n LEU 391 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3kdz n LEU 391 CO 0.24 0.00 0.41 -1.20 -1.33 0.00 0.00 177.39 175.51 3kdz n SER 392 N -1.01 0.00 -0.17 -1.43 7.64 0.42 -4.75 113.62 114.32 3kdz n SER 392 Ca 0.00 0.23 -0.02 0.00 1.01 0.00 0.00 58.87 60.08 3kdz n SER 392 Cb 0.00 -0.23 -0.01 0.00 -1.01 0.00 0.00 64.21 62.96 3kdz n SER 392 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3kdz n TYR 393 N -1.18 0.00 0.00 1.43 4.01 -1.26 -2.66 117.16 117.50 3kdz n TYR 393 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3kdz n TYR 393 Cb 0.14 -1.21 0.00 0.00 -0.31 0.00 0.00 39.34 37.96 3kdz n TYR 393 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kdz n GLY 394 N -1.15 1.55 3.74 2.72 0.00 -1.26 -5.08 105.19 105.71 3kdz n GLY 394 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3kdz n GLY 394 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kdz s LEU 395 N 0.00 3.07 0.70 0.99 1.43 -1.09 -4.99 118.68 118.79 3kdz s LEU 395 Ca 0.00 1.98 -0.12 0.00 -1.03 0.00 0.00 54.13 54.96 3kdz s LEU 395 Cb 0.00 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.70 3kdz s LEU 395 CO 0.00 -2.25 1.08 -2.16 0.23 0.00 0.00 176.35 173.26 3kdz s PRO 396 N -4.63 2.70 0.13 1.29 0.04 -1.26 -4.76 135.00 128.51 3kdz s PRO 396 Ca 0.64 1.16 -0.33 0.00 0.04 0.00 0.00 61.00 62.52 3kdz s PRO 396 Cb -0.20 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 32.27 3kdz s PRO 396 CO 0.53 -1.30 1.74 -0.85 0.04 0.00 0.00 177.00 177.17 3kdz n GLU 397 N -2.98 2.52 -2.19 4.56 0.00 -1.26 -2.21 120.64 119.08 3kdz n GLU 397 Ca 0.09 0.91 -0.16 0.00 0.00 0.00 0.00 57.16 58.00 3kdz n GLU 397 Cb 0.53 -2.75 -0.02 0.00 0.00 0.00 0.00 31.44 29.19 3kdz n GLU 397 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3kdz n PHE 398 N 4.75 -0.98 -2.74 -1.84 3.01 -0.34 -2.47 117.46 116.84 3kdz n PHE 398 Ca 0.18 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.45 3kdz n PHE 398 Cb 0.33 -3.22 0.00 0.00 -0.01 0.00 0.00 39.48 36.59 3kdz n PHE 398 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3kdz n LEU 399 N -2.69 -1.82 -4.73 4.37 4.77 -0.94 -1.65 117.00 114.31 3kdz n LEU 399 Ca -0.19 -0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.29 3kdz n LEU 399 Cb 0.62 -2.57 -0.04 0.00 -2.33 0.00 0.00 43.42 39.11 3kdz n LEU 399 CO 0.23 -0.01 0.78 -0.69 -1.33 0.00 0.00 177.39 176.37 3kdz s VAL 400 N -2.93 4.18 -0.88 4.08 1.01 -1.03 -4.71 120.40 120.12 3kdz s VAL 400 Ca 0.15 1.72 0.22 0.00 0.00 0.00 0.00 61.98 64.07 3kdz s VAL 400 Cb -0.07 -4.10 -0.18 0.00 0.00 0.00 0.00 36.38 32.02 3kdz s VAL 400 CO 0.18 0.22 0.97 -1.54 0.00 0.00 0.00 175.10 174.94 3kdz n SER 401 N 3.11 0.79 0.00 3.32 3.41 -1.26 -4.77 113.62 118.22 3kdz n SER 401 Ca 0.05 -0.70 0.00 0.00 -0.26 0.00 0.00 58.87 57.95 3kdz n SER 401 Cb 0.47 0.92 0.00 0.00 -0.26 0.00 0.00 64.21 65.35 3kdz n SER 401 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kdz n GLY 402 N 1.47 1.23 3.44 5.00 0.00 -1.26 -5.06 105.19 110.01 3kdz n GLY 402 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 3kdz n GLY 402 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kdz s ASP 403 N -0.01 6.20 0.86 1.61 1.01 -1.26 -5.06 116.67 120.02 3kdz s ASP 403 Ca 0.00 -0.94 -0.12 0.00 0.71 0.00 0.00 52.55 52.19 3kdz s ASP 403 Cb 0.00 -2.25 0.09 0.00 1.01 0.00 0.00 42.92 41.76 3kdz s ASP 403 CO 0.00 -0.77 1.00 -0.81 0.21 0.00 0.00 175.17 174.80 3kdz n PRO 404 N 5.84 -0.09 0.00 8.23 -0.04 -1.26 -1.54 135.00 146.13 3kdz n PRO 404 Ca -0.08 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 3kdz n PRO 404 Cb 0.45 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 3kdz n PRO 404 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kdz n GLY 405 N 0.71 2.09 0.27 0.55 0.00 -1.26 -4.40 105.19 103.14 3kdz n GLY 405 Ca 0.12 -0.34 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 3kdz n GLY 405 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kdz h LEU 406 N 0.00 0.67 -8.77 0.99 5.85 -1.97 -3.41 115.31 108.67 3kdz h LEU 406 Ca 0.00 -0.19 -0.69 0.00 0.84 0.00 0.00 57.88 57.83 3kdz h LEU 406 Cb 0.00 -0.18 -0.26 0.00 0.37 0.00 0.00 40.66 40.59 3kdz h LEU 406 CO 0.00 0.82 -0.86 -1.00 -0.34 0.00 0.00 178.44 177.06 3kdz s HIS 407 N -4.76 2.38 -0.48 1.25 3.76 -0.59 -5.03 115.29 111.83 3kdz s HIS 407 Ca -0.09 -0.38 0.21 0.00 -0.15 0.00 0.00 55.06 54.65 3kdz s HIS 407 Cb 0.14 -1.43 -0.28 0.00 1.11 0.00 0.00 32.58 32.12 3kdz s HIS 407 CO 0.81 0.12 0.66 0.43 -0.85 0.00 0.00 174.74 175.91 3kdz n SER 408 N 1.87 0.56 0.00 1.40 7.64 -1.26 -4.39 113.62 119.44 3kdz n SER 408 Ca -0.17 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.24 3kdz n SER 408 Cb 0.52 1.50 0.00 0.00 -1.01 0.00 0.00 64.21 65.22 3kdz n SER 408 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kdz n GLY 409 N 1.39 3.51 0.95 0.23 0.00 -1.26 -1.77 105.19 108.24 3kdz n GLY 409 Ca -0.00 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.03 3kdz n GLY 409 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kdz n PHE 410 N 13.33 0.58 -0.29 1.61 3.72 -0.66 -4.45 117.46 131.30 3kdz n PHE 410 Ca 0.00 -0.29 0.08 0.00 -0.05 0.00 0.00 57.45 57.18 3kdz n PHE 410 Cb 0.00 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 38.77 3kdz n PHE 410 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kdz h ALA 411 N 4.10 1.28 -0.01 4.37 0.00 -1.53 -1.61 119.26 125.87 3kdz h ALA 411 Ca 0.00 0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 3kdz h ALA 411 Cb 0.73 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3kdz h ALA 411 CO 0.00 -0.13 -0.85 0.78 0.00 0.00 0.00 179.25 179.06 3kdz h GLY 412 N 0.59 0.26 2.00 0.00 0.00 -1.82 -3.18 103.07 100.92 3kdz h GLY 412 Ca 0.47 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3kdz h GLY 412 CO -0.38 0.39 0.00 0.00 0.00 0.00 0.00 176.54 176.55 3kdz h ALA 413 N 0.97 1.00 -0.12 3.60 0.00 -1.60 -2.80 119.26 120.30 3kdz h ALA 413 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 3kdz h ALA 413 Cb 1.46 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 3kdz h ALA 413 CO 0.13 0.00 -0.52 0.37 0.00 0.00 0.00 179.25 179.23 3kdz h GLN 414 N 0.00 0.34 -0.39 0.00 4.15 -1.37 -3.33 115.11 114.51 3kdz h GLN 414 Ca 0.00 -0.21 0.05 0.00 0.77 0.00 0.00 58.65 59.27 3kdz h GLN 414 Cb 0.41 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.07 3kdz h GLN 414 CO 0.00 0.79 0.11 1.88 -1.93 0.00 0.00 178.83 179.67 3kdz h TYR 415 N 0.27 0.19 -0.52 3.99 0.05 -1.66 -1.49 116.97 117.79 3kdz h TYR 415 Ca 0.01 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.86 3kdz h TYR 415 Cb 1.01 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.69 3kdz h TYR 415 CO 0.03 0.06 0.35 -1.00 -1.05 0.00 0.00 178.16 176.54 3kdz h PRO 416 N 0.25 0.50 -0.18 4.88 0.13 -1.75 0.84 132.00 136.68 3kdz h PRO 416 Ca 0.18 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 65.23 3kdz h PRO 416 Cb 0.19 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.20 3kdz h PRO 416 CO -0.21 0.33 -0.10 0.00 -0.23 0.00 0.00 178.00 177.79 3kdz h ALA 417 N 1.71 0.25 -0.67 -0.56 0.00 -1.49 -2.01 119.26 116.49 3kdz h ALA 417 Ca 0.22 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3kdz h ALA 417 Cb 0.22 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3kdz h ALA 417 CO -0.06 0.09 0.23 1.15 0.00 0.00 0.00 179.25 180.66 3kdz h THR 418 N 0.06 1.24 -0.15 0.00 2.02 -0.71 -2.71 112.91 112.66 3kdz h THR 418 Ca 0.04 -0.80 -0.10 0.00 0.77 0.00 0.00 66.41 66.32 3kdz h THR 418 Cb 0.59 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3kdz h THR 418 CO 0.03 0.31 -0.35 0.00 0.37 0.00 0.00 175.52 175.89 3kdz h ALA 419 N 1.28 1.14 -0.06 6.16 0.00 -0.80 -3.03 119.26 123.96 3kdz h ALA 419 Ca 0.22 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 3kdz h ALA 419 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3kdz h ALA 419 CO -0.01 0.56 -0.62 -0.07 0.00 0.00 0.00 179.25 179.11 3kdz h LEU 420 N 0.26 0.24 -0.08 0.00 3.38 -1.06 -1.10 115.31 116.95 3kdz h LEU 420 Ca 0.03 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3kdz h LEU 420 Cb 0.74 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 3kdz h LEU 420 CO 0.06 0.79 0.04 0.58 0.09 0.00 0.00 178.44 180.01 3kdz h VAL 421 N 0.15 1.08 -0.75 1.22 2.07 -1.38 0.11 116.25 118.75 3kdz h VAL 421 Ca -0.01 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 3kdz h VAL 421 Cb 1.12 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 3kdz h VAL 421 CO 0.09 0.07 0.35 0.00 0.02 0.00 0.00 177.57 178.11 3kdz h ALA 422 N 0.95 1.20 -0.48 1.67 0.00 -1.47 -1.74 119.26 119.40 3kdz h ALA 422 Ca 0.03 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3kdz h ALA 422 Cb 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3kdz h ALA 422 CO -0.00 0.60 0.03 1.49 0.00 0.00 0.00 179.25 181.37 3kdz h GLU 423 N 1.07 0.83 0.00 0.00 4.81 -0.82 -2.39 114.58 118.08 3kdz h GLU 423 Ca 0.26 -0.25 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3kdz h GLU 423 Cb 0.12 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3kdz h GLU 423 CO -0.03 0.86 -0.19 -0.91 -0.73 0.00 0.00 179.01 178.01 3kdz h ASN 424 N 0.69 0.00 0.93 1.04 2.35 -0.43 -2.26 115.58 117.90 3kdz h ASN 424 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3kdz h ASN 424 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 3kdz h ASN 424 CO 0.02 0.19 0.00 0.54 -1.65 0.00 0.00 177.43 176.52 3kdz n ARG 425 N -4.22 0.20 0.00 0.81 1.74 -0.69 -2.43 116.66 112.06 3kdz n ARG 425 Ca -0.02 0.35 0.14 0.00 -0.77 0.00 0.00 57.85 57.54 3kdz n ARG 425 Cb 0.25 -1.82 0.57 0.00 -1.02 0.00 0.00 32.46 30.44 3kdz n ARG 425 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3kdz n THR 426 N -2.19 0.00 -3.00 0.55 -2.24 -0.85 -4.76 114.28 101.79 3kdz n THR 426 Ca 0.03 -0.17 -0.43 0.00 -2.27 0.00 0.00 64.05 61.21 3kdz n THR 426 Cb 0.28 0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.73 3kdz n THR 426 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3kdz s ILE 427 N -2.15 4.71 0.41 2.28 1.01 -1.02 -5.04 121.20 121.40 3kdz s ILE 427 Ca 0.36 0.45 -0.02 0.00 0.00 0.00 0.00 60.65 61.45 3kdz s ILE 427 Cb 0.21 -4.27 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 3kdz s ILE 427 CO 0.39 -0.63 0.65 -0.83 0.00 0.00 0.00 174.94 174.52 3kdz s GLY 428 N 2.05 1.41 0.39 6.18 0.00 -1.26 -5.01 107.32 111.07 3kdz s GLY 428 Ca 0.28 -0.76 -0.27 0.00 0.00 0.00 0.00 44.72 43.98 3kdz s GLY 428 CO 0.21 -0.65 1.28 2.56 0.00 0.00 0.00 173.10 176.50 3kdz s PRO 429 N -4.50 4.07 -0.03 2.90 0.04 -1.26 -4.94 135.00 131.26 3kdz s PRO 429 Ca 0.43 2.12 0.15 0.00 0.04 0.00 0.00 61.00 63.75 3kdz s PRO 429 Cb -0.10 -2.82 -0.23 0.00 0.04 0.00 0.00 34.50 31.39 3kdz s PRO 429 CO 0.40 -0.40 0.30 0.00 0.04 0.00 0.00 177.00 177.34 3kdz n ALA 430 N 0.27 2.46 0.00 8.56 0.00 -1.26 -4.56 120.51 125.99 3kdz n ALA 430 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3kdz n ALA 430 Cb 0.44 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.42 3kdz n ALA 430 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kdz n SER 431 N -2.09 0.00 -0.38 0.00 3.41 -1.25 -0.87 113.62 112.44 3kdz n SER 431 Ca -0.05 0.43 0.04 0.00 -0.26 0.00 0.00 58.87 59.03 3kdz n SER 431 Cb 0.46 -0.43 0.05 0.00 -0.26 0.00 0.00 64.21 64.04 3kdz n SER 431 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kdz n THR 432 N -1.43 0.18 -0.26 6.66 -2.24 -1.26 -4.69 114.28 111.24 3kdz n THR 432 Ca 0.00 -0.59 -0.10 0.00 -2.27 0.00 0.00 64.05 61.09 3kdz n THR 432 Cb 0.00 1.06 0.13 0.00 -2.10 0.00 0.00 70.33 69.42 3kdz n THR 432 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kdz n GLN 433 N 0.46 2.06 -1.58 -0.78 1.13 -0.05 -5.00 117.38 113.62 3kdz n GLN 433 Ca 0.06 -1.77 -0.40 0.00 -1.94 0.00 0.00 57.00 52.95 3kdz n GLN 433 Cb 0.25 -1.74 0.02 0.00 0.11 0.00 0.00 30.24 28.88 3kdz n GLN 433 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3kdz n SER 434 N -0.29 0.61 -3.73 1.08 2.88 -1.26 -5.00 113.62 107.92 3kdz n SER 434 Ca 0.31 0.93 -0.20 0.00 -1.33 0.00 0.00 58.87 58.58 3kdz n SER 434 Cb 1.11 -1.31 -0.17 0.00 -0.75 0.00 0.00 64.21 63.08 3kdz n SER 434 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3kdz s VAL 435 N -1.41 0.06 0.18 2.46 1.01 -1.26 -4.96 120.40 116.47 3kdz s VAL 435 Ca 0.67 0.28 -0.31 0.00 0.00 0.00 0.00 61.98 62.62 3kdz s VAL 435 Cb -0.51 -0.26 -0.10 0.00 0.00 0.00 0.00 36.38 35.51 3kdz s VAL 435 CO 0.54 0.19 1.58 -2.16 0.00 0.00 0.00 175.10 175.25 3kdz s PRO 436 N 1.85 4.20 0.23 2.72 0.04 -1.26 -4.83 135.00 137.96 3kdz s PRO 436 Ca 0.02 2.40 0.04 0.00 0.04 0.00 0.00 61.00 63.50 3kdz s PRO 436 Cb -0.12 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.26 3kdz s PRO 436 CO -0.03 -0.62 0.16 -1.13 0.04 0.00 0.00 177.00 175.42 3kdz n SER 437 N 3.84 -0.06 -3.47 6.66 3.41 -0.96 -4.85 113.62 118.19 3kdz n SER 437 Ca 0.14 -2.44 -0.21 0.00 -0.26 0.00 0.00 58.87 56.09 3kdz n SER 437 Cb 0.38 0.99 0.06 0.00 -0.26 0.00 0.00 64.21 65.38 3kdz n SER 437 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3kdz n ASN 438 N -2.03 -5.03 -3.53 4.04 5.15 -1.26 -2.05 115.26 110.55 3kdz n ASN 438 Ca 0.03 -0.82 -0.26 0.00 -0.60 0.00 0.00 54.58 52.93 3kdz n ASN 438 Cb 0.40 -4.44 0.01 0.00 -0.53 0.00 0.00 39.78 35.22 3kdz n ASN 438 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kdz n GLY 439 N -1.42 -0.49 3.13 8.20 0.00 -1.26 -0.51 105.19 112.83 3kdz n GLY 439 Ca -0.13 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kdz n GLY 439 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kdz n ASP 440 N -2.52 -2.19 -0.15 1.61 8.00 -0.87 -4.85 116.55 115.58 3kdz n ASP 440 Ca -0.01 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 3kdz n ASP 440 Cb 0.54 -1.85 -0.01 0.00 -0.02 0.00 0.00 41.12 39.79 3kdz n ASP 440 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 3kdz h ASN 441 N 0.00 0.68 -2.49 -2.24 -1.24 -0.72 -3.05 115.58 106.51 3kdz h ASN 441 Ca 0.00 -0.26 -0.79 0.00 0.71 0.00 0.00 56.30 55.96 3kdz h ASN 441 Cb 0.27 -0.18 -0.24 0.00 0.73 0.00 0.00 38.32 38.90 3kdz h ASN 441 CO 0.00 0.76 1.14 0.00 -1.29 0.00 0.00 177.43 178.05 3kdz n GLN 442 N -4.49 4.15 0.03 6.67 6.02 -1.06 -4.77 117.38 123.93 3kdz n GLN 442 Ca -0.00 -4.23 0.13 0.00 -0.01 0.00 0.00 57.00 52.89 3kdz n GLN 442 Cb 0.24 -2.65 0.54 0.00 1.02 0.00 0.00 30.24 29.39 3kdz n GLN 442 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3kdz n ASP 443 N 2.26 0.23 -3.47 1.08 5.68 -1.16 -2.26 116.55 118.91 3kdz n ASP 443 Ca 0.30 0.52 -0.15 0.00 -0.50 0.00 0.00 54.79 54.97 3kdz n ASP 443 Cb 0.35 -0.59 -0.12 0.00 -1.14 0.00 0.00 41.12 39.63 3kdz n ASP 443 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3kdz s VAL 444 N -3.04 -0.42 0.48 2.12 1.01 -1.26 -4.26 120.40 115.04 3kdz s VAL 444 Ca 0.12 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.08 3kdz s VAL 444 Cb 0.16 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 3kdz s VAL 444 CO 0.52 -0.14 0.08 0.68 0.00 0.00 0.00 175.10 176.24 3kdz s VAL 445 N 2.40 1.57 -0.06 2.92 -7.23 -1.26 -5.08 120.40 113.65 3kdz s VAL 445 Ca 0.08 -1.89 0.18 0.00 -1.81 0.00 0.00 61.98 58.54 3kdz s VAL 445 Cb -0.15 -2.46 -0.28 0.00 0.56 0.00 0.00 36.38 34.05 3kdz s VAL 445 CO -0.13 0.00 0.33 -1.54 -0.31 0.00 0.00 175.10 173.45 3kdz n SER 446 N -1.26 0.63 -1.73 4.85 3.41 -1.13 -4.39 113.62 114.00 3kdz n SER 446 Ca -0.11 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.29 3kdz n SER 446 Cb 0.66 1.63 -0.08 0.00 -0.26 0.00 0.00 64.21 66.17 3kdz n SER 446 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3kdz n MET 447 N -2.29 -1.49 -0.14 4.33 2.81 -0.26 -3.92 117.12 116.16 3kdz n MET 447 Ca -0.10 1.18 0.19 0.00 -1.81 0.00 0.00 57.70 57.16 3kdz n MET 447 Cb 0.65 -5.61 0.57 0.00 -0.71 0.00 0.00 33.22 28.12 3kdz n MET 447 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3kdz h GLY 448 N 0.00 0.49 2.00 3.03 0.00 -1.79 -1.12 103.07 105.68 3kdz h GLY 448 Ca -0.43 -0.12 -0.08 0.00 0.00 0.00 0.00 47.33 46.70 3kdz h GLY 448 CO 0.61 0.03 -0.38 -2.00 0.00 0.00 0.00 176.54 174.80 3kdz h LEU 449 N 0.27 0.00 -0.61 3.11 5.85 -1.89 -1.37 115.31 120.67 3kdz h LEU 449 Ca 0.37 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.96 3kdz h LEU 449 Cb 1.05 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 3kdz h LEU 449 CO -0.09 0.38 -0.28 0.40 -0.34 0.00 0.00 178.44 178.51 3kdz h ILE 450 N 0.00 1.28 -0.28 4.05 2.04 -1.53 -1.73 117.51 121.33 3kdz h ILE 450 Ca -0.00 -1.42 -0.00 0.00 1.00 0.00 0.00 64.86 64.43 3kdz h ILE 450 Cb 0.89 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 3kdz h ILE 450 CO 0.05 0.47 0.17 0.28 0.00 0.00 0.00 178.15 179.12 3kdz h SER 451 N 0.68 0.34 -0.55 1.72 0.02 -1.18 -0.59 113.55 113.99 3kdz h SER 451 Ca 0.08 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 3kdz h SER 451 Cb 0.82 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.24 3kdz h SER 451 CO 0.07 0.30 0.34 0.00 -1.14 0.00 0.00 176.83 176.40 3kdz h ALA 452 N 1.06 0.70 -0.73 3.77 0.00 -1.11 -1.82 119.26 121.13 3kdz h ALA 452 Ca 0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3kdz h ALA 452 Cb 0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3kdz h ALA 452 CO -0.02 0.08 0.27 0.00 0.00 0.00 0.00 179.25 179.57 3kdz h ARG 453 N 0.68 1.10 -0.12 0.00 3.08 -1.01 -1.03 114.38 117.07 3kdz h ARG 453 Ca 0.22 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 60.07 3kdz h ARG 453 Cb -0.01 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 3kdz h ARG 453 CO -0.08 0.91 0.03 -0.91 -1.07 0.00 0.00 179.97 178.85 3kdz h ASN 454 N 1.06 0.02 -0.31 7.04 4.21 -0.64 -0.86 115.58 126.10 3kdz h ASN 454 Ca 0.24 0.02 0.03 0.00 1.21 0.00 0.00 56.30 57.80 3kdz h ASN 454 Cb 0.24 0.02 -0.03 0.00 -1.12 0.00 0.00 38.32 37.42 3kdz h ASN 454 CO -0.02 0.03 0.12 0.00 -1.29 0.00 0.00 177.43 176.28 3kdz h ALA 455 N 1.08 0.36 -0.90 -0.83 0.00 -1.04 -1.80 119.26 116.13 3kdz h ALA 455 Ca 0.05 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3kdz h ALA 455 Cb 0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3kdz h ALA 455 CO -0.06 -0.27 0.58 -0.09 0.00 0.00 0.00 179.25 179.41 3kdz h ARG 456 N 0.27 0.94 0.12 0.00 2.43 -0.77 -0.42 114.38 116.95 3kdz h ARG 456 Ca 0.14 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3kdz h ARG 456 Cb 0.09 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3kdz h ARG 456 CO -0.12 0.62 -0.06 -0.09 -1.51 0.00 0.00 179.97 178.81 3kdz h ARG 457 N 0.97 -0.15 -0.79 0.20 2.43 -0.36 -0.56 114.38 116.12 3kdz h ARG 457 Ca 0.40 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.59 3kdz h ARG 457 Cb 0.30 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 3kdz h ARG 457 CO -0.16 0.11 0.52 0.28 -1.51 0.00 0.00 179.97 179.20 3kdz h VAL 458 N -0.41 1.20 0.03 0.20 2.07 -1.05 0.12 116.25 118.40 3kdz h VAL 458 Ca -0.02 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.15 3kdz h VAL 458 Cb 0.33 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3kdz h VAL 458 CO 0.03 0.19 -0.08 0.25 0.02 0.00 0.00 177.57 177.97 3kdz h LEU 459 N 1.06 -0.24 -0.74 2.57 5.85 -0.85 0.16 115.31 123.12 3kdz h LEU 459 Ca 0.29 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 3kdz h LEU 459 Cb -0.11 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3kdz h LEU 459 CO -0.06 -0.13 0.41 -1.28 -0.34 0.00 0.00 178.44 177.04 3kdz h SER 460 N -0.16 0.92 -0.29 1.25 0.87 -0.43 -2.44 113.55 113.27 3kdz h SER 460 Ca 0.02 -0.09 -0.09 0.00 -1.23 0.00 0.00 61.79 60.41 3kdz h SER 460 Cb 0.19 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 3kdz h SER 460 CO -0.07 0.75 -0.10 0.78 -0.53 0.00 0.00 176.83 177.65 3kdz h ASN 461 N 1.02 0.69 -0.08 6.23 2.35 -0.43 -2.76 115.58 122.59 3kdz h ASN 461 Ca 0.26 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 3kdz h ASN 461 Cb 0.03 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 3kdz h ASN 461 CO -0.04 0.82 -0.06 0.78 -1.65 0.00 0.00 177.43 177.28 3kdz h ASN 462 N 0.64 0.30 -0.06 5.81 2.35 -0.23 -1.88 115.58 122.51 3kdz h ASN 462 Ca 0.11 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 3kdz h ASN 462 Cb 0.55 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 3kdz h ASN 462 CO 0.03 0.40 -0.03 0.78 -1.65 0.00 0.00 177.43 176.97 3kdz h ASN 463 N 0.31 0.22 -0.20 5.81 2.35 -1.16 -0.31 115.58 122.61 3kdz h ASN 463 Ca 0.07 -0.03 -0.16 0.00 -0.55 0.00 0.00 56.30 55.63 3kdz h ASN 463 Cb 0.31 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.62 3kdz h ASN 463 CO 0.01 0.29 -0.49 0.11 -1.65 0.00 0.00 177.43 175.70 3kdz h LYS 464 N 0.24 0.69 -0.38 0.81 1.79 -1.39 -0.82 116.57 117.50 3kdz h LYS 464 Ca 0.06 -0.47 -0.04 0.00 -2.18 0.00 0.00 60.65 58.02 3kdz h LYS 464 Cb 0.22 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.92 3kdz h LYS 464 CO 0.01 1.09 0.10 0.82 -1.08 0.00 0.00 179.45 180.39 3kdz h ILE 465 N 0.38 1.22 -0.33 1.86 2.04 -1.23 -2.06 117.51 119.40 3kdz h ILE 465 Ca -0.01 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.05 3kdz h ILE 465 Cb 1.11 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 3kdz h ILE 465 CO 0.11 0.26 -0.02 -0.07 0.00 0.00 0.00 178.15 178.43 3kdz h LEU 466 N 0.47 0.49 -0.09 1.44 3.38 -1.07 -2.04 115.31 117.90 3kdz h LEU 466 Ca 0.12 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3kdz h LEU 466 Cb 0.30 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3kdz h LEU 466 CO 0.00 0.58 0.05 0.00 0.09 0.00 0.00 178.44 179.15 3kdz h ALA 467 N 1.49 0.10 -0.40 1.53 0.00 -0.70 0.26 119.26 121.54 3kdz h ALA 467 Ca 0.11 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3kdz h ALA 467 Cb 0.35 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3kdz h ALA 467 CO 0.01 -0.41 0.27 0.28 0.00 0.00 0.00 179.25 179.40 3kdz h VAL 468 N 0.10 1.10 -0.03 0.00 2.07 -0.95 -1.63 116.25 116.90 3kdz h VAL 468 Ca 0.03 -0.18 -0.19 0.00 0.82 0.00 0.00 66.70 67.17 3kdz h VAL 468 Cb -0.00 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3kdz h VAL 468 CO -0.02 0.10 -0.82 -0.08 0.02 0.00 0.00 177.57 176.77 3kdz h GLU 469 N 0.54 0.32 -0.52 1.57 4.81 -0.61 -1.53 114.58 119.16 3kdz h GLU 469 Ca 0.15 -0.30 -0.12 0.00 -0.13 0.00 0.00 59.36 58.95 3kdz h GLU 469 Cb -0.05 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3kdz h GLU 469 CO -0.03 0.98 -0.15 1.88 -0.73 0.00 0.00 179.01 180.95 3kdz h TYR 470 N 0.20 1.14 -0.23 0.92 -1.99 0.10 -1.69 116.97 115.41 3kdz h TYR 470 Ca -0.04 -0.25 -0.06 0.00 2.00 0.00 0.00 58.73 60.38 3kdz h TYR 470 Cb 1.42 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 39.86 3kdz h TYR 470 CO 0.04 1.07 -0.07 -0.07 -0.00 0.00 0.00 178.16 179.13 3kdz h LEU 471 N 0.89 0.46 -0.94 3.88 3.38 -1.27 -1.97 115.31 119.74 3kdz h LEU 471 Ca 0.13 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 3kdz h LEU 471 Cb 0.72 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3kdz h LEU 471 CO 0.06 0.74 0.24 0.00 0.09 0.00 0.00 178.44 179.56 3kdz h ALA 472 N 0.74 1.15 -0.07 1.53 0.00 -1.25 -0.55 119.26 120.81 3kdz h ALA 472 Ca 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3kdz h ALA 472 Cb 0.54 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3kdz h ALA 472 CO 0.03 0.60 0.02 0.00 0.00 0.00 0.00 179.25 179.90 3kdz h ALA 473 N 1.27 0.09 -0.38 0.00 0.00 -1.25 0.18 119.26 119.18 3kdz h ALA 473 Ca 0.22 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3kdz h ALA 473 Cb 0.24 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3kdz h ALA 473 CO -0.01 -0.30 0.20 0.00 0.00 0.00 0.00 179.25 179.13 3kdz h ALA 474 N 0.83 0.47 -0.55 0.00 0.00 -1.16 -1.20 119.26 117.66 3kdz h ALA 474 Ca 0.02 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3kdz h ALA 474 Cb 0.21 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3kdz h ALA 474 CO -0.00 -0.16 0.23 0.37 0.00 0.00 0.00 179.25 179.69 3kdz h GLN 475 N 0.40 0.43 -0.88 0.00 5.75 -0.87 -0.54 115.11 119.40 3kdz h GLN 475 Ca 0.16 -0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.70 3kdz h GLN 475 Cb 0.06 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 28.46 3kdz h GLN 475 CO -0.11 0.28 0.57 0.00 -2.65 0.00 0.00 178.83 176.93 3kdz h ALA 476 N 1.34 1.55 -0.61 3.38 0.00 0.19 -1.47 119.26 123.64 3kdz h ALA 476 Ca 0.26 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3kdz h ALA 476 Cb 0.25 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3kdz h ALA 476 CO -0.23 0.31 0.15 0.28 0.00 0.00 0.00 179.25 179.76 3kdz h VAL 477 N 0.97 1.24 -0.01 0.00 2.07 0.04 -2.50 116.25 118.07 3kdz h VAL 477 Ca 0.38 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 3kdz h VAL 477 Cb 0.23 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3kdz h VAL 477 CO -0.14 0.33 -0.01 0.44 0.02 0.00 0.00 177.57 178.20 3kdz h ASP 478 N 0.91 0.02 -0.32 0.57 3.32 -0.67 -1.91 116.42 118.34 3kdz h ASP 478 Ca 0.20 -0.57 0.06 0.00 0.02 0.00 0.00 57.03 56.74 3kdz h ASP 478 Cb 0.32 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3kdz h ASP 478 CO -0.00 0.59 0.22 0.40 -1.72 0.00 0.00 179.24 178.72 3kdz h ILE 479 N -0.54 0.92 -0.02 0.35 2.04 -1.32 -0.70 117.51 118.24 3kdz h ILE 479 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3kdz h ILE 479 Cb 0.58 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3kdz h ILE 479 CO 0.00 0.03 -0.18 -1.54 0.00 0.00 0.00 178.15 176.46 3kdz n SER 480 N -4.47 2.47 -3.81 1.72 3.41 -0.94 -4.96 113.62 107.02 3kdz n SER 480 Ca 0.04 -1.75 -0.30 0.00 -0.26 0.00 0.00 58.87 56.61 3kdz n SER 480 Cb 0.28 0.17 0.01 0.00 -0.26 0.00 0.00 64.21 64.41 3kdz n SER 480 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kdz n GLY 481 N 1.36 -0.49 1.38 5.00 0.00 -0.27 -4.86 105.19 107.32 3kdz n GLY 481 Ca 0.13 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.39 3kdz n GLY 481 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kdz n ARG 482 N -4.36 3.20 -0.23 1.61 1.74 -0.96 -4.56 116.66 113.09 3kdz n ARG 482 Ca 0.03 -2.48 0.15 0.00 -0.77 0.00 0.00 57.85 54.79 3kdz n ARG 482 Cb 0.52 -1.75 0.45 0.00 -1.02 0.00 0.00 32.46 30.67 3kdz n ARG 482 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3kdz h PHE 483 N 3.66 0.65 -0.01 -1.55 3.57 -1.89 -1.66 116.94 119.70 3kdz h PHE 483 Ca 0.00 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.41 3kdz h PHE 483 Cb 1.21 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 3kdz h PHE 483 CO 0.63 0.22 -0.49 -0.44 -2.23 0.00 0.00 178.31 176.00 3kdz h ASP 484 N 0.53 0.04 0.19 0.41 3.32 -1.96 -3.10 116.42 115.85 3kdz h ASP 484 Ca 0.44 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3kdz h ASP 484 Cb 0.90 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.44 3kdz h ASP 484 CO -0.18 0.52 -0.06 0.61 -1.72 0.00 0.00 179.24 178.41 3kdz n GLY 485 N -0.11 -0.74 3.77 2.75 0.00 -0.63 -4.91 105.19 105.31 3kdz n GLY 485 Ca -0.02 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 3kdz n GLY 485 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kdz s LEU 486 N -2.26 3.41 0.89 0.99 1.43 -1.17 -0.51 118.68 121.46 3kdz s LEU 486 Ca 0.35 2.01 -0.12 0.00 -1.03 0.00 0.00 54.13 55.34 3kdz s LEU 486 Cb 0.21 -4.55 0.13 0.00 0.03 0.00 0.00 46.19 42.00 3kdz s LEU 486 CO 0.42 -1.62 1.13 -0.94 0.23 0.00 0.00 176.35 175.57 3kdz s SER 487 N -2.53 3.65 0.48 2.29 1.04 -1.26 -4.66 113.70 112.70 3kdz s SER 487 Ca 0.67 1.01 0.14 0.00 0.48 0.00 0.00 55.95 58.25 3kdz s SER 487 Cb -0.21 -1.61 1.12 0.00 0.10 0.00 0.00 66.02 65.42 3kdz s SER 487 CO 0.41 -2.47 2.09 -0.65 0.98 0.00 0.00 173.24 173.61 3kdz h PRO 488 N -1.44 0.12 0.10 4.02 0.11 -1.83 -0.60 132.00 132.48 3kdz h PRO 488 Ca -0.50 -0.01 -0.27 0.00 0.11 0.00 0.00 66.00 65.33 3kdz h PRO 488 Cb 1.32 -0.03 0.03 0.00 0.11 0.00 0.00 31.00 32.43 3kdz h PRO 488 CO 0.62 0.12 -1.12 0.00 -0.21 0.00 0.00 178.00 177.41 3kdz h ALA 489 N 1.90 -0.00 -0.32 -0.75 0.00 -1.87 -2.49 119.26 115.73 3kdz h ALA 489 Ca 0.03 -0.74 -0.04 0.00 0.00 0.00 0.00 54.91 54.17 3kdz h ALA 489 Cb 0.06 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3kdz h ALA 489 CO -0.00 0.62 0.04 0.00 0.00 0.00 0.00 179.25 179.90 3kdz h ALA 490 N 0.28 1.47 -0.18 0.00 0.00 -1.61 0.73 119.26 119.95 3kdz h ALA 490 Ca -0.17 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 3kdz h ALA 490 Cb 1.81 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.46 3kdz h ALA 490 CO 0.22 0.38 -0.40 0.87 0.00 0.00 0.00 179.25 180.32 3kdz h LYS 491 N 0.47 0.58 -0.28 0.00 1.57 -1.15 0.99 116.57 118.75 3kdz h LYS 491 Ca 0.11 -0.39 0.02 0.00 -1.87 0.00 0.00 60.65 58.51 3kdz h LYS 491 Cb 0.25 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3kdz h LYS 491 CO 0.00 1.01 0.14 0.00 -0.57 0.00 0.00 179.45 180.04 3kdz h ALA 492 N 0.57 0.35 0.20 3.86 0.00 -0.96 0.16 119.26 123.44 3kdz h ALA 492 Ca -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kdz h ALA 492 Cb 1.01 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3kdz h ALA 492 CO 0.09 -0.24 -0.14 1.15 0.00 0.00 0.00 179.25 180.11 3kdz h THR 493 N 0.30 0.70 -0.34 0.00 2.02 -0.80 -0.92 112.91 113.88 3kdz h THR 493 Ca 0.12 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.36 3kdz h THR 493 Cb 0.03 0.70 -0.06 0.00 -1.74 0.00 0.00 68.15 67.08 3kdz h THR 493 CO -0.08 0.00 -0.07 0.22 0.37 0.00 0.00 175.52 175.97 3kdz h TYR 494 N -0.34 -0.14 -0.51 3.16 3.20 -0.39 -1.83 116.97 120.12 3kdz h TYR 494 Ca -0.02 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 3kdz h TYR 494 Cb 0.29 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 3kdz h TYR 494 CO -0.10 -0.13 0.08 0.93 -1.64 0.00 0.00 178.16 177.30 3kdz h GLU 495 N 0.02 0.80 -0.51 1.82 5.08 -0.60 -1.52 114.58 119.67 3kdz h GLU 495 Ca 0.16 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3kdz h GLU 495 Cb 0.24 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 3kdz h GLU 495 CO -0.33 0.76 0.30 0.00 -1.00 0.00 0.00 179.01 178.74 3kdz h ALA 496 N 1.32 0.65 0.17 3.43 0.00 -0.45 0.17 119.26 124.55 3kdz h ALA 496 Ca 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3kdz h ALA 496 Cb 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3kdz h ALA 496 CO 0.01 0.00 -0.08 0.28 0.00 0.00 0.00 179.25 179.46 3kdz h VAL 497 N 0.60 0.94 0.00 0.00 2.07 -1.02 -3.03 116.25 115.80 3kdz h VAL 497 Ca 0.20 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3kdz h VAL 497 Cb 0.02 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3kdz h VAL 497 CO -0.09 0.13 0.00 0.03 0.02 0.00 0.00 177.57 177.66 3kdz h ARG 498 N -0.52 0.00 0.00 1.57 2.47 -1.05 0.18 114.38 117.03 3kdz h ARG 498 Ca -0.02 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.64 3kdz h ARG 498 Cb 0.39 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 3kdz h ARG 498 CO 0.04 0.00 -0.29 -0.09 0.56 0.00 0.00 179.97 180.19 3kdz h ARG 499 N 0.00 0.00 0.01 0.04 2.43 -0.55 -3.32 114.38 113.00 3kdz h ARG 499 Ca 0.00 0.00 -0.41 0.00 -0.81 0.00 0.00 59.98 58.76 3kdz h ARG 499 Cb 0.12 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.60 3kdz h ARG 499 CO 0.00 0.29 -2.40 1.28 -1.51 0.00 0.00 179.97 177.63 3kdz n LEU 500 N -3.42 2.41 -3.95 3.80 4.77 0.25 -5.00 117.00 115.86 3kdz n LEU 500 Ca 0.00 0.14 -0.22 0.00 -0.03 0.00 0.00 56.01 55.90 3kdz n LEU 500 Cb 0.48 -0.89 -0.16 0.00 -2.33 0.00 0.00 43.42 40.52 3kdz n LEU 500 CO 0.35 0.72 -0.43 -0.69 -1.33 0.00 0.00 177.39 176.01 3kdz s VAL 501 N -2.51 0.79 0.86 4.08 1.01 0.37 -5.06 120.40 119.94 3kdz s VAL 501 Ca -0.36 -0.27 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 3kdz s VAL 501 Cb 0.11 -0.77 0.11 0.00 0.00 0.00 0.00 36.38 35.84 3kdz s VAL 501 CO 0.56 0.28 1.09 -2.84 0.00 0.00 0.00 175.10 174.19 3kdz s PRO 502 N 0.83 1.51 0.62 2.72 0.02 -1.26 -3.96 135.00 135.48 3kdz s PRO 502 Ca -0.12 0.96 -0.18 0.00 0.02 0.00 0.00 61.00 61.67 3kdz s PRO 502 Cb -0.15 -1.83 -0.02 0.00 0.02 0.00 0.00 34.50 32.52 3kdz s PRO 502 CO 0.01 -2.10 1.23 -0.08 -0.33 0.00 0.00 177.00 175.73 3kdz s THR 503 N -2.90 2.44 -0.76 0.99 -1.32 -1.26 -4.91 115.64 107.92 3kdz s THR 503 Ca 0.63 0.27 -0.23 0.00 -1.21 0.00 0.00 61.69 61.15 3kdz s THR 503 Cb -0.18 -3.07 0.07 0.00 -1.51 0.00 0.00 72.50 67.81 3kdz s THR 503 CO 0.57 -0.07 1.11 -0.22 -2.21 0.00 0.00 174.62 173.80 3kdz s LEU 504 N -4.28 4.15 0.00 9.08 2.96 -1.26 -4.87 118.68 124.46 3kdz s LEU 504 Ca 0.78 -1.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.60 3kdz s LEU 504 Cb -0.32 -2.46 0.00 0.00 0.50 0.00 0.00 46.19 43.91 3kdz s LEU 504 CO 0.36 -1.47 0.00 0.61 -1.32 0.00 0.00 176.35 174.53 3kdz n GLY 505 N 5.53 1.71 3.92 7.98 0.00 -1.26 -4.61 105.19 118.46 3kdz n GLY 505 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 3kdz n GLY 505 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kdz s VAL 506 N 0.00 5.08 0.53 1.61 -7.23 -1.26 -4.60 120.40 114.52 3kdz s VAL 506 Ca 0.00 -0.20 -0.21 0.00 -1.81 0.00 0.00 61.98 59.76 3kdz s VAL 506 Cb 0.00 -3.78 -0.07 0.00 0.56 0.00 0.00 36.38 33.09 3kdz s VAL 506 CO 0.00 -0.39 1.04 0.47 -0.31 0.00 0.00 175.10 175.92 3kdz n ASP 507 N -1.20 1.27 -3.54 4.85 9.92 -1.26 -5.00 116.55 121.59 3kdz n ASP 507 Ca -0.03 0.92 -0.10 0.00 -0.53 0.00 0.00 54.79 55.05 3kdz n ASP 507 Cb 0.55 -1.41 -0.02 0.00 -0.64 0.00 0.00 41.12 39.60 3kdz n ASP 507 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kdz s ARG 508 N -2.49 1.32 -0.21 -1.24 1.70 -1.26 -5.11 118.95 111.65 3kdz s ARG 508 Ca 0.70 -0.56 -0.38 0.00 -0.47 0.00 0.00 55.73 55.01 3kdz s ARG 508 Cb -0.46 0.56 -0.14 0.00 -0.57 0.00 0.00 34.95 34.33 3kdz s ARG 508 CO 0.51 -0.59 1.79 0.98 -1.08 0.00 0.00 175.30 176.92 3kdz n TYR 509 N -0.38 2.15 -0.00 5.89 9.36 -1.26 -4.87 117.16 128.05 3kdz n TYR 509 Ca -0.13 0.35 0.08 0.00 3.32 0.00 0.00 57.90 61.53 3kdz n TYR 509 Cb 0.63 -2.53 -0.14 0.00 -0.63 0.00 0.00 39.34 36.68 3kdz n TYR 509 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 3kdz n MET 510 N 5.78 0.65 -0.25 2.98 2.81 -1.26 -4.62 117.12 123.22 3kdz n MET 510 Ca 0.25 -0.10 0.06 0.00 -1.81 0.00 0.00 57.70 56.09 3kdz n MET 510 Cb 0.18 -1.58 0.17 0.00 -0.71 0.00 0.00 33.22 31.28 3kdz n MET 510 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kdz h ALA 511 N 1.85 0.86 -0.35 3.04 0.00 -2.00 -1.92 119.26 120.73 3kdz h ALA 511 Ca -0.07 0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3kdz h ALA 511 Cb 1.18 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 3kdz h ALA 511 CO 0.01 -0.40 -0.17 -0.44 0.00 0.00 0.00 179.25 178.25 3kdz h ASP 512 N 0.16 0.75 -0.78 0.00 3.32 -2.00 -2.34 116.42 115.53 3kdz h ASP 512 Ca 0.42 -0.41 0.05 0.00 0.02 0.00 0.00 57.03 57.11 3kdz h ASP 512 Cb 0.74 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.02 3kdz h ASP 512 CO -0.61 0.99 0.47 0.44 -1.72 0.00 0.00 179.24 178.82 3kdz h ASP 513 N 0.51 0.75 -0.33 6.45 3.32 -1.65 -1.36 116.42 124.12 3kdz h ASP 513 Ca 0.08 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 3kdz h ASP 513 Cb 0.71 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3kdz h ASP 513 CO 0.05 0.50 -0.10 0.40 -1.72 0.00 0.00 179.24 178.37 3kdz h ILE 514 N 0.89 1.28 -0.38 0.35 2.04 -1.32 -2.84 117.51 117.54 3kdz h ILE 514 Ca 0.33 -1.17 -0.08 0.00 1.00 0.00 0.00 64.86 64.94 3kdz h ILE 514 Cb 0.12 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3kdz h ILE 514 CO -0.15 0.38 -0.10 -0.08 0.00 0.00 0.00 178.15 178.20 3kdz h GLU 515 N 0.42 0.65 -0.68 2.37 4.57 -1.16 -0.53 114.58 120.22 3kdz h GLU 515 Ca 0.08 -0.20 -0.06 0.00 -1.18 0.00 0.00 59.36 58.00 3kdz h GLU 515 Cb 0.61 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.10 3kdz h GLU 515 CO 0.04 0.74 0.19 1.25 -1.18 0.00 0.00 179.01 180.05 3kdz h LEU 516 N 0.60 0.99 -0.08 1.64 5.85 -1.22 -0.26 115.31 122.82 3kdz h LEU 516 Ca 0.11 -0.19 -0.22 0.00 0.84 0.00 0.00 57.88 58.42 3kdz h LEU 516 Cb 0.53 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3kdz h LEU 516 CO 0.03 0.94 -1.02 0.58 -0.34 0.00 0.00 178.44 178.63 3kdz h VAL 517 N 1.01 1.57 -0.38 1.05 2.07 -1.23 -2.06 116.25 118.28 3kdz h VAL 517 Ca 0.22 -3.00 -0.03 0.00 0.82 0.00 0.00 66.70 64.71 3kdz h VAL 517 Cb 0.32 2.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 3kdz h VAL 517 CO -0.00 0.87 0.12 0.00 0.02 0.00 0.00 177.57 178.57 3kdz h ALA 518 N 0.88 0.49 -0.74 1.67 0.00 -0.82 -0.45 119.26 120.28 3kdz h ALA 518 Ca -0.06 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3kdz h ALA 518 Cb 1.72 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 3kdz h ALA 518 CO 0.15 0.13 0.23 -0.44 0.00 0.00 0.00 179.25 179.33 3kdz h ASP 519 N 0.46 1.08 -0.76 0.00 5.19 -1.04 -1.21 116.42 120.14 3kdz h ASP 519 Ca 0.12 -0.21 -0.02 0.00 -0.62 0.00 0.00 57.03 56.31 3kdz h ASP 519 Cb 0.25 -0.28 -0.04 0.00 0.18 0.00 0.00 39.33 39.44 3kdz h ASP 519 CO -0.00 1.00 0.41 0.00 -3.12 0.00 0.00 179.24 177.53 3kdz h ALA 520 N 1.12 0.97 -0.36 3.45 0.00 -1.08 -2.20 119.26 121.16 3kdz h ALA 520 Ca 0.24 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3kdz h ALA 520 Cb 0.31 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3kdz h ALA 520 CO -0.01 0.49 -0.04 -0.07 0.00 0.00 0.00 179.25 179.63 3kdz h LEU 521 N 1.05 0.56 -1.74 0.00 3.38 -0.54 -1.84 115.31 116.18 3kdz h LEU 521 Ca 0.27 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3kdz h LEU 521 Cb 0.05 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3kdz h LEU 521 CO -0.04 0.66 -0.08 0.77 0.09 0.00 0.00 178.44 179.84 3kdz h SER 522 N 0.55 0.00 -0.00 -0.43 4.64 -0.62 -2.22 113.55 115.47 3kdz h SER 522 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3kdz h SER 522 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3kdz h SER 522 CO 0.02 0.08 -0.07 0.54 -0.87 0.00 0.00 176.83 176.52 3kdz n ARG 523 N -3.30 1.86 -1.95 4.77 1.74 -0.87 -4.95 116.66 113.96 3kdz n ARG 523 Ca -0.01 -1.38 -0.06 0.00 -0.77 0.00 0.00 57.85 55.63 3kdz n ARG 523 Cb 0.28 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.24 3kdz n ARG 523 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kdz n GLY 524 N 1.30 0.25 0.38 -0.13 0.00 -0.83 -4.96 105.19 101.19 3kdz n GLY 524 Ca 0.15 -0.66 -0.01 0.00 0.00 0.00 0.00 46.02 45.50 3kdz n GLY 524 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kdz h GLU 525 N 0.00 1.25 0.00 1.61 4.39 -1.59 -1.21 114.58 119.04 3kdz h GLU 525 Ca -0.14 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.43 3kdz h GLU 525 Cb 0.98 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 3kdz h GLU 525 CO 0.17 0.83 -0.26 0.74 -1.16 0.00 0.00 179.01 179.33 3kdz h PHE 526 N 1.29 0.00 -0.02 4.33 0.04 -1.92 0.45 116.94 121.11 3kdz h PHE 526 Ca 0.38 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.90 3kdz h PHE 526 Cb -0.08 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.09 3kdz h PHE 526 CO -0.00 0.26 -0.98 1.25 -0.60 0.00 0.00 178.31 178.24 3kdz h LEU 527 N 0.00 0.83 -0.36 1.54 5.85 -1.85 -2.98 115.31 118.34 3kdz h LEU 527 Ca -0.00 -0.64 -0.05 0.00 0.84 0.00 0.00 57.88 58.03 3kdz h LEU 527 Cb 1.03 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 3kdz h LEU 527 CO 0.03 1.44 0.03 -0.09 -0.34 0.00 0.00 178.44 179.51 3kdz h ARG 528 N 0.38 0.61 -0.94 1.25 2.43 -0.91 -2.50 114.38 114.69 3kdz h ARG 528 Ca -0.11 -0.18 0.11 0.00 -0.81 0.00 0.00 59.98 59.00 3kdz h ARG 528 Cb 1.62 -0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 31.03 3kdz h ARG 528 CO 0.19 0.70 0.58 0.00 -1.51 0.00 0.00 179.97 179.93 3kdz h ALA 529 N 0.88 1.40 0.00 2.80 0.00 -0.92 0.36 119.26 123.78 3kdz h ALA 529 Ca 0.11 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3kdz h ALA 529 Cb 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3kdz h ALA 529 CO 0.01 0.18 -0.22 0.82 0.00 0.00 0.00 179.25 180.05 3kdz h ILE 530 N 0.92 0.77 -0.00 0.00 1.08 -1.34 -2.16 117.51 116.78 3kdz h ILE 530 Ca 0.46 -0.88 -0.00 0.00 -0.39 0.00 0.00 64.86 64.05 3kdz h ILE 530 Cb 0.45 1.54 0.00 0.00 -3.07 0.00 0.00 36.82 35.74 3kdz h ILE 530 CO -0.26 0.21 -0.01 0.00 -0.69 0.00 0.00 178.15 177.40 3kdz h ALA 531 N 1.78 0.00 -0.05 1.87 0.00 0.10 -3.05 119.26 119.92 3kdz h ALA 531 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3kdz h ALA 531 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3kdz h ALA 531 CO 0.03 -0.16 0.00 2.89 0.00 0.00 0.00 179.25 182.01 3kdz n ARG 532 N -4.77 1.76 -0.00 0.00 1.85 -0.66 -4.18 116.66 110.66 3kdz n ARG 532 Ca -0.09 -1.11 0.02 0.00 -1.00 0.00 0.00 57.85 55.67 3kdz n ARG 532 Cb 0.33 -1.46 -0.04 0.00 -1.05 0.00 0.00 32.46 30.23 3kdz n ARG 532 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3kdz n GLU 533 N 0.34 0.47 -4.50 2.89 -0.58 -0.82 -5.07 120.64 113.38 3kdz n GLU 533 Ca 0.18 -0.05 -0.25 0.00 -0.42 0.00 0.00 57.16 56.62 3kdz n GLU 533 Cb 0.38 -1.13 -0.08 0.00 -0.57 0.00 0.00 31.44 30.04 3kdz n GLU 533 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3kdz s THR 534 N -2.36 0.60 -0.21 2.62 -4.23 -1.15 -4.99 115.64 105.92 3kdz s THR 534 Ca -0.02 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.64 3kdz s THR 534 Cb 0.03 -2.38 0.66 0.00 1.34 0.00 0.00 72.50 72.16 3kdz s THR 534 CO 0.23 0.00 1.58 0.47 -0.54 0.00 0.00 174.62 176.36 3kdz n ASP 535 N -1.27 4.66 -4.72 3.99 8.00 -1.26 -4.73 116.55 121.21 3kdz n ASP 535 Ca -0.05 -3.02 -0.40 0.00 0.71 0.00 0.00 54.79 52.03 3kdz n ASP 535 Cb 0.65 -0.62 -0.04 0.00 -0.02 0.00 0.00 41.12 41.09 3kdz n ASP 535 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kdz s ILE 536 N -2.83 4.99 -0.30 0.53 1.01 -1.26 -5.03 121.20 118.30 3kdz s ILE 536 Ca 0.48 1.55 -0.01 0.00 0.00 0.00 0.00 60.65 62.67 3kdz s ILE 536 Cb 0.38 -4.09 0.06 0.00 0.01 0.00 0.00 42.46 38.82 3kdz s ILE 536 CO 0.12 0.25 -0.00 -1.10 0.00 0.00 0.00 174.94 174.21 3kdz s GLN 537 N 0.74 2.36 0.31 2.79 -0.21 -1.26 -4.74 119.66 119.65 3kdz s GLN 537 Ca 0.40 -1.32 -0.15 0.00 0.02 0.00 0.00 55.36 54.30 3kdz s GLN 537 Cb -0.18 -3.17 -0.09 0.00 1.00 0.00 0.00 33.01 30.57 3kdz s GLN 537 CO 0.20 -0.65 0.73 -0.51 -2.12 0.00 0.00 175.29 172.94 3kdz s LEU 538 N 1.22 4.08 0.00 2.90 1.43 -1.26 -5.05 118.68 122.00 3kdz s LEU 538 Ca -0.05 1.27 0.31 0.00 -1.03 0.00 0.00 54.13 54.63 3kdz s LEU 538 Cb -0.20 -4.04 1.65 0.00 0.03 0.00 0.00 46.19 43.63 3kdz s LEU 538 CO -0.02 -0.19 2.08 0.54 0.23 0.00 0.00 176.35 178.99