#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kd3 s ASN 3 N 0.00 0.06 -0.13 -5.58 -0.87 0.33 -1.03 114.94 107.72 3kd3 s ASN 3 Ca 0.00 -0.06 0.00 0.00 -1.57 0.00 0.00 52.86 51.23 3kd3 s ASN 3 Cb 0.00 0.01 -0.01 0.00 -0.02 0.00 0.00 41.25 41.22 3kd3 s ASN 3 CO 0.00 -0.03 -0.14 -0.63 -2.57 0.00 0.00 177.10 173.73 3kd3 s ILE 4 N -0.17 2.96 -0.28 0.60 -1.09 0.00 -1.16 121.20 122.06 3kd3 s ILE 4 Ca -0.02 -0.69 -0.05 0.00 -2.23 0.00 0.00 60.65 57.66 3kd3 s ILE 4 Cb -0.01 -2.24 0.01 0.00 -1.58 0.00 0.00 42.46 38.64 3kd3 s ILE 4 CO -0.00 0.52 0.03 -0.63 -1.23 0.00 0.00 174.94 173.63 3kd3 s ILE 5 N 0.41 3.61 -0.03 2.92 1.01 0.44 -1.09 121.20 128.47 3kd3 s ILE 5 Ca -0.11 -0.78 -0.06 0.00 0.00 0.00 0.00 60.65 59.71 3kd3 s ILE 5 Cb -0.16 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 3kd3 s ILE 5 CO 0.05 0.13 0.21 -0.36 0.00 0.00 0.00 174.94 174.98 3kd3 s PHE 6 N 1.45 3.58 0.68 3.97 0.08 -0.38 -0.01 117.98 127.36 3kd3 s PHE 6 Ca 0.02 0.51 -0.11 0.00 0.12 0.00 0.00 56.93 57.47 3kd3 s PHE 6 Cb -0.17 -1.93 0.01 0.00 -0.57 0.00 0.00 43.02 40.35 3kd3 s PHE 6 CO 0.00 0.66 1.07 0.34 -0.10 0.00 0.00 175.22 177.19 3kd3 s ASP 7 N -1.57 5.57 -0.09 1.36 2.15 -0.82 -1.91 116.67 121.36 3kd3 s ASP 7 Ca 0.24 1.14 -0.08 0.00 0.43 0.00 0.00 52.55 54.28 3kd3 s ASP 7 Cb -0.13 -1.99 -0.03 0.00 -0.30 0.00 0.00 42.92 40.48 3kd3 s ASP 7 CO 0.13 -1.25 -0.15 0.33 -0.17 0.00 0.00 175.17 174.07 3kd3 n PHE 8 N -2.94 0.32 -1.74 -5.34 7.35 -1.26 -3.18 117.46 110.67 3kd3 n PHE 8 Ca 0.07 0.14 -0.42 0.00 -0.76 0.00 0.00 57.45 56.48 3kd3 n PHE 8 Cb 0.57 -0.45 -0.03 0.00 0.35 0.00 0.00 39.48 39.92 3kd3 n PHE 8 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3kd3 s ASP 9 N -4.94 6.37 -0.60 -2.13 1.01 -1.26 -1.15 116.67 113.97 3kd3 s ASP 9 Ca -0.12 2.90 0.00 0.00 0.71 0.00 0.00 52.55 56.04 3kd3 s ASP 9 Cb 0.02 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.34 3kd3 s ASP 9 CO 0.18 -0.96 0.00 -1.20 0.21 0.00 0.00 175.17 173.40 3kd3 n SER 10 N 3.43 -4.99 0.00 0.27 7.64 -0.80 -4.67 113.62 114.50 3kd3 n SER 10 Ca 0.14 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.16 3kd3 n SER 10 Cb 0.36 -3.43 0.00 0.00 -1.01 0.00 0.00 64.21 60.13 3kd3 n SER 10 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3kd3 n THR 11 N -1.86 0.00 0.07 0.44 -1.04 -0.69 -4.59 114.28 106.62 3kd3 n THR 11 Ca -0.06 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.89 3kd3 n THR 11 Cb 0.48 -0.66 0.09 0.00 -1.82 0.00 0.00 70.33 68.41 3kd3 n THR 11 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3kd3 h LEU 12 N 0.00 0.33 -9.39 -4.42 3.38 -1.09 -3.43 115.31 100.69 3kd3 h LEU 12 Ca 0.00 -0.20 -0.59 0.00 0.09 0.00 0.00 57.88 57.18 3kd3 h LEU 12 Cb 0.00 -0.10 -0.12 0.00 0.09 0.00 0.00 40.66 40.53 3kd3 h LEU 12 CO 0.00 0.89 -0.70 0.27 0.09 0.00 0.00 178.44 178.99 3kd3 s ILE 13 N -3.69 3.13 -0.53 1.22 -4.36 -0.94 -0.66 121.20 115.36 3kd3 s ILE 13 Ca -0.04 -1.95 0.25 0.00 -0.26 0.00 0.00 60.65 58.65 3kd3 s ILE 13 Cb 0.11 -2.62 0.31 0.00 1.25 0.00 0.00 42.46 41.51 3kd3 s ILE 13 CO 0.81 -0.29 1.73 0.11 0.24 0.00 0.00 174.94 177.54 3kd3 h LYS 14 N 2.32 0.00 -4.99 0.37 1.57 -1.32 -2.63 116.57 111.90 3kd3 h LYS 14 Ca -0.44 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.80 3kd3 h LYS 14 Cb 1.24 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.42 3kd3 h LYS 14 CO 0.58 0.00 -0.50 0.15 -0.57 0.00 0.00 179.45 179.11 3kd3 s LYS 15 N -3.21 1.90 -0.26 3.15 1.02 -1.26 -4.70 119.74 116.39 3kd3 s LYS 15 Ca 0.08 -2.15 -0.19 0.00 0.02 0.00 0.00 55.97 53.73 3kd3 s LYS 15 Cb 0.09 -0.31 -0.02 0.00 -0.52 0.00 0.00 37.83 37.07 3kd3 s LYS 15 CO 0.60 -0.56 0.55 -1.21 -0.92 0.00 0.00 175.35 173.82 3kd3 s GLU 16 N -3.61 4.09 0.11 1.68 0.41 -1.26 -1.91 118.70 118.20 3kd3 s GLU 16 Ca 0.28 0.40 -0.15 0.00 -0.41 0.00 0.00 54.97 55.09 3kd3 s GLU 16 Cb 0.02 -3.65 -0.06 0.00 -1.78 0.00 0.00 34.13 28.66 3kd3 s GLU 16 CO 0.19 -0.37 1.49 0.66 -0.49 0.00 0.00 175.26 176.74 3kd3 h SER 17 N 7.96 0.69 -0.44 -0.19 4.64 -1.96 -2.85 113.55 121.40 3kd3 h SER 17 Ca -0.28 -0.39 -0.04 0.00 -0.47 0.00 0.00 61.79 60.61 3kd3 h SER 17 Cb 1.13 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 3kd3 h SER 17 CO 0.73 0.92 0.13 0.25 -0.87 0.00 0.00 176.83 178.00 3kd3 h LEU 18 N 0.45 0.64 -0.74 5.97 5.85 -1.98 0.64 115.31 126.14 3kd3 h LEU 18 Ca 0.08 -0.21 0.09 0.00 0.84 0.00 0.00 57.88 58.67 3kd3 h LEU 18 Cb 0.65 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.44 3kd3 h LEU 18 CO 0.04 0.68 0.40 -0.33 -0.34 0.00 0.00 178.44 178.90 3kd3 h GLU 19 N 0.57 0.67 -0.06 1.25 5.08 -1.96 -1.57 114.58 118.56 3kd3 h GLU 19 Ca 0.14 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 3kd3 h GLU 19 Cb 0.28 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3kd3 h GLU 19 CO -0.00 0.44 -0.52 -0.07 -1.00 0.00 0.00 179.01 177.86 3kd3 h LEU 20 N 0.69 0.19 -0.68 1.33 3.38 -1.11 -1.74 115.31 117.37 3kd3 h LEU 20 Ca 0.36 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 58.13 3kd3 h LEU 20 Cb 0.33 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3kd3 h LEU 20 CO -0.24 0.68 -0.13 0.40 0.09 0.00 0.00 178.44 179.23 3kd3 h ILE 21 N 0.14 1.26 0.00 1.22 2.04 -0.29 -3.20 117.51 118.68 3kd3 h ILE 21 Ca 0.00 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.62 3kd3 h ILE 21 Cb 0.97 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 3kd3 h ILE 21 CO 0.08 0.43 -0.40 -0.07 0.00 0.00 0.00 178.15 178.19 3kd3 h LEU 22 N 0.79 0.00 -0.65 1.44 3.38 -1.12 -3.39 115.31 115.77 3kd3 h LEU 22 Ca 0.12 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3kd3 h LEU 22 Cb 0.66 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 3kd3 h LEU 22 CO 0.05 0.06 0.40 -0.08 0.09 0.00 0.00 178.44 178.96 3kd3 h GLU 23 N 0.00 0.77 -0.67 1.13 4.81 -1.31 -0.74 114.58 118.57 3kd3 h GLU 23 Ca 0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3kd3 h GLU 23 Cb 0.76 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 3kd3 h GLU 23 CO 0.00 0.51 0.38 -1.35 -0.73 0.00 0.00 179.01 177.82 3kd3 h PRO 24 N 0.79 0.92 -0.30 0.92 0.11 -1.79 -1.47 132.00 131.19 3kd3 h PRO 24 Ca 0.26 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 3kd3 h PRO 24 Cb 0.01 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 30.92 3kd3 h PRO 24 CO -0.10 0.68 0.14 0.82 -0.21 0.00 0.00 178.00 179.33 3kd3 h ILE 25 N 0.91 1.11 -0.47 4.15 5.03 -1.62 -2.99 117.51 123.63 3kd3 h ILE 25 Ca 0.24 -0.32 0.00 0.00 -0.12 0.00 0.00 64.86 64.66 3kd3 h ILE 25 Cb 0.01 0.74 0.00 0.00 -3.03 0.00 0.00 36.82 34.54 3kd3 h ILE 25 CO -0.04 0.13 0.00 0.18 -0.68 0.00 0.00 178.15 177.74 3kd3 n LEU 26 N -4.43 5.08 -0.10 1.44 4.77 -0.36 -4.59 117.00 118.81 3kd3 n LEU 26 Ca 0.01 -2.94 0.05 0.00 -0.03 0.00 0.00 56.01 53.11 3kd3 n LEU 26 Cb 0.12 -0.63 0.39 0.00 -2.33 0.00 0.00 43.42 40.96 3kd3 n LEU 26 CO 0.36 0.65 1.19 1.56 -1.33 0.00 0.00 177.39 179.83 3kd3 h GLN 27 N 3.26 0.64 0.00 3.23 1.08 -1.14 -0.01 115.11 122.18 3kd3 h GLN 27 Ca 0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3kd3 h GLN 27 Cb 1.78 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 29.06 3kd3 h GLN 27 CO 0.39 0.43 0.00 0.87 -0.95 0.00 0.00 178.83 179.57 3kd3 h LYS 28 N 0.66 0.00 -2.21 1.46 1.57 -1.85 -3.37 116.57 112.83 3kd3 h LYS 28 Ca 0.23 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.42 3kd3 h LYS 28 Cb 0.10 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.00 3kd3 h LYS 28 CO -0.06 0.00 -0.72 0.43 -0.57 0.00 0.00 179.45 178.53 3kd3 n SER 29 N -2.47 2.80 0.15 0.86 7.64 -0.02 -4.96 113.62 117.63 3kd3 n SER 29 Ca 0.04 -3.24 0.07 0.00 1.01 0.00 0.00 58.87 56.76 3kd3 n SER 29 Cb 0.37 -0.67 0.57 0.00 -1.01 0.00 0.00 64.21 63.47 3kd3 n SER 29 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3kd3 h PRO 30 N 4.25 0.18 -0.14 1.43 0.13 -1.73 -0.95 132.00 135.16 3kd3 h PRO 30 Ca 0.17 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.25 3kd3 h PRO 30 Cb 0.72 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 3kd3 h PRO 30 CO 0.73 0.12 -0.09 0.00 -0.23 0.00 0.00 178.00 178.54 3kd3 h ALA 31 N 1.90 1.60 -0.43 -0.56 0.00 -1.93 -2.26 119.26 117.58 3kd3 h ALA 31 Ca 0.07 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3kd3 h ALA 31 Cb 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3kd3 h ALA 31 CO -0.01 0.30 -0.12 0.87 0.00 0.00 0.00 179.25 180.28 3kd3 h LYS 32 N 0.21 0.78 -0.53 0.00 1.57 -1.53 -0.71 116.57 116.35 3kd3 h LYS 32 Ca 0.05 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.45 3kd3 h LYS 32 Cb 0.29 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3kd3 h LYS 32 CO 0.02 0.86 -0.12 1.25 -0.57 0.00 0.00 179.45 180.89 3kd3 h LEU 33 N 0.70 1.03 -1.04 2.94 5.85 -1.46 0.09 115.31 123.43 3kd3 h LEU 33 Ca 0.12 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 3kd3 h LEU 33 Cb 0.60 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3kd3 h LEU 33 CO 0.04 1.15 0.17 0.11 -0.34 0.00 0.00 178.44 179.57 3kd3 h LYS 34 N 0.90 0.86 -0.41 1.25 1.57 -1.15 -1.16 116.57 118.43 3kd3 h LYS 34 Ca 0.14 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3kd3 h LYS 34 Cb 0.69 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 3kd3 h LYS 34 CO 0.05 0.75 0.10 1.49 -0.57 0.00 0.00 179.45 181.27 3kd3 h GLU 35 N 0.84 0.66 -0.54 3.15 4.81 -0.82 -1.34 114.58 121.34 3kd3 h GLU 35 Ca 0.19 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3kd3 h GLU 35 Cb 0.25 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3kd3 h GLU 35 CO -0.01 0.67 0.35 0.82 -0.73 0.00 0.00 179.01 180.11 3kd3 h ILE 36 N 0.52 1.11 -0.64 2.32 2.04 -0.60 -1.35 117.51 120.91 3kd3 h ILE 36 Ca 0.13 -0.24 0.06 0.00 1.00 0.00 0.00 64.86 65.81 3kd3 h ILE 36 Cb 0.31 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 36.69 3kd3 h ILE 36 CO 0.00 0.13 0.34 -0.08 0.00 0.00 0.00 178.15 178.54 3kd3 h GLU 37 N 0.70 0.62 -0.34 2.37 4.81 -1.07 -0.62 114.58 121.04 3kd3 h GLU 37 Ca 0.20 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3kd3 h GLU 37 Cb -0.05 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 3kd3 h GLU 37 CO -0.06 0.41 0.17 -0.92 -0.73 0.00 0.00 179.01 177.88 3kd3 h TYR 38 N 0.63 0.49 -0.39 0.92 3.20 -0.76 -2.01 116.97 119.05 3kd3 h TYR 38 Ca 0.29 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.10 3kd3 h TYR 38 Cb 0.20 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 3kd3 h TYR 38 CO -0.09 0.42 0.10 0.82 -1.64 0.00 0.00 178.16 177.77 3kd3 h ILE 39 N 0.42 1.23 -0.47 1.81 1.08 -1.03 -0.43 117.51 120.12 3kd3 h ILE 39 Ca 0.12 -0.78 0.09 0.00 -0.39 0.00 0.00 64.86 63.90 3kd3 h ILE 39 Cb 0.11 0.98 -0.09 0.00 -3.07 0.00 0.00 36.82 34.75 3kd3 h ILE 39 CO -0.02 0.27 -0.15 0.74 -0.69 0.00 0.00 178.15 178.30 3kd3 h THR 40 N 0.49 0.47 -0.83 -0.27 2.02 -0.98 -1.77 112.91 112.04 3kd3 h THR 40 Ca 0.12 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.28 3kd3 h THR 40 Cb 0.31 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.15 3kd3 h THR 40 CO 0.00 0.00 0.41 0.78 0.37 0.00 0.00 175.52 177.08 3kd3 h ASN 41 N -0.04 1.07 -0.63 4.18 2.35 -0.97 -2.62 115.58 118.92 3kd3 h ASN 41 Ca 0.22 -0.12 0.04 0.00 -0.55 0.00 0.00 56.30 55.90 3kd3 h ASN 41 Cb 0.39 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.43 3kd3 h ASN 41 CO -0.50 0.89 0.36 -0.07 -1.65 0.00 0.00 177.43 176.46 3kd3 h LEU 42 N 1.18 0.56 -1.85 1.61 3.38 -0.39 -0.69 115.31 119.11 3kd3 h LEU 42 Ca 0.29 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3kd3 h LEU 42 Cb 0.10 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kd3 h LEU 42 CO -0.04 0.38 0.00 0.61 0.09 0.00 0.00 178.44 179.48 3kd3 n GLY 43 N -1.28 0.58 0.04 0.83 0.00 -0.73 -1.34 105.19 103.29 3kd3 n GLY 43 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3kd3 n GLY 43 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kd3 n GLN 45 N 0.77 0.00 -1.03 1.61 6.02 -0.27 -4.49 117.38 120.00 3kd3 n GLN 45 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 3kd3 n GLN 45 Cb 0.14 -0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.39 3kd3 n GLN 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kd3 n GLY 46 N 0.00 0.48 0.08 1.08 0.00 -1.10 -4.88 105.19 100.86 3kd3 n GLY 46 Ca 0.00 -0.69 -0.05 0.00 0.00 0.00 0.00 46.02 45.28 3kd3 n GLY 46 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kd3 h ASP 47 N 0.00 0.00 -4.87 1.61 3.32 -1.43 -3.46 116.42 111.59 3kd3 h ASP 47 Ca -0.02 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.80 3kd3 h ASP 47 Cb 0.08 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.49 3kd3 h ASP 47 CO 0.03 0.88 -0.66 0.27 -1.72 0.00 0.00 179.24 178.04 3kd3 s ILE 48 N -2.93 0.46 0.65 0.35 -4.36 -1.21 -5.01 121.20 109.15 3kd3 s ILE 48 Ca 0.01 -1.94 -0.15 0.00 -0.26 0.00 0.00 60.65 58.31 3kd3 s ILE 48 Cb 0.10 -1.99 -0.00 0.00 1.25 0.00 0.00 42.46 41.82 3kd3 s ILE 48 CO 0.80 -0.56 1.12 -0.94 0.24 0.00 0.00 174.94 175.59 3kd3 s SER 49 N -3.10 5.11 0.20 4.36 1.04 -1.26 -4.44 113.70 115.60 3kd3 s SER 49 Ca 0.21 2.03 -0.11 0.00 0.48 0.00 0.00 55.95 58.57 3kd3 s SER 49 Cb 0.07 -2.56 0.14 0.00 0.10 0.00 0.00 66.02 63.77 3kd3 s SER 49 CO 0.01 -1.63 1.85 0.15 0.98 0.00 0.00 173.24 174.59 3kd3 h PHE 50 N 0.10 0.94 -0.56 5.02 3.57 -1.87 -0.71 116.94 123.43 3kd3 h PHE 50 Ca -0.47 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.07 3kd3 h PHE 50 Cb 1.25 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.64 3kd3 h PHE 50 CO 0.54 0.62 0.31 -0.09 -2.23 0.00 0.00 178.31 177.46 3kd3 h ARG 51 N 0.97 0.58 -0.77 1.11 2.43 -1.74 0.50 114.38 117.46 3kd3 h ARG 51 Ca 0.26 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.36 3kd3 h ARG 51 Cb -0.05 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.34 3kd3 h ARG 51 CO -0.05 0.39 0.34 -0.44 -1.51 0.00 0.00 179.97 178.69 3kd3 h ASP 52 N 0.60 1.03 0.15 -3.80 3.32 -1.82 -0.74 116.42 115.16 3kd3 h ASP 52 Ca 0.24 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3kd3 h ASP 52 Cb 0.10 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.38 3kd3 h ASP 52 CO -0.14 0.90 -0.07 -1.28 -1.72 0.00 0.00 179.24 176.93 3kd3 h SER 53 N 1.11 -0.17 -0.33 6.45 0.87 -0.47 -1.68 113.55 119.33 3kd3 h SER 53 Ca 0.26 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 3kd3 h SER 53 Cb 0.17 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 3kd3 h SER 53 CO -0.03 -0.08 0.17 0.25 -0.53 0.00 0.00 176.83 176.62 3kd3 h LEU 54 N -0.24 0.42 -0.64 2.23 5.85 -0.74 -1.44 115.31 120.75 3kd3 h LEU 54 Ca -0.02 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 3kd3 h LEU 54 Cb 0.19 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3kd3 h LEU 54 CO 0.03 0.40 0.31 1.56 -0.34 0.00 0.00 178.44 180.41 3kd3 h GLN 55 N 0.41 0.93 -0.33 1.25 1.08 -1.11 -1.54 115.11 115.79 3kd3 h GLN 55 Ca 0.12 -0.14 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 3kd3 h GLN 55 Cb 0.08 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 3kd3 h GLN 55 CO -0.02 0.74 0.01 -0.22 -0.95 0.00 0.00 178.83 178.39 3kd3 h LYS 56 N 0.89 0.58 -0.81 1.46 1.63 -1.13 -0.84 116.57 118.35 3kd3 h LYS 56 Ca 0.22 -0.18 0.02 0.00 -0.85 0.00 0.00 60.65 59.86 3kd3 h LYS 56 Cb 0.12 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.65 3kd3 h LYS 56 CO -0.03 0.70 0.53 0.00 -3.45 0.00 0.00 179.45 177.20 3kd3 h ARG 57 N 0.39 1.04 -0.27 1.90 3.08 -1.05 -1.03 114.38 118.44 3kd3 h ARG 57 Ca 0.10 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 3kd3 h ARG 57 Cb 0.43 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3kd3 h ARG 57 CO 0.02 0.69 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.42 3kd3 h LEU 58 N 1.07 0.44 -0.82 3.04 3.38 -1.16 -1.55 115.31 119.70 3kd3 h LEU 58 Ca 0.31 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 3kd3 h LEU 58 Cb -0.08 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3kd3 h LEU 58 CO -0.08 0.59 0.10 0.00 0.09 0.00 0.00 178.44 179.13 3kd3 h ALA 59 N 1.46 1.03 0.26 1.53 0.00 -0.42 -2.92 119.26 120.20 3kd3 h ALA 59 Ca 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3kd3 h ALA 59 Cb 0.46 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kd3 h ALA 59 CO 0.03 0.62 -0.13 0.82 0.00 0.00 0.00 179.25 180.59 3kd3 h ILE 60 N 0.92 0.78 -2.26 0.00 2.04 -0.74 -3.45 117.51 114.80 3kd3 h ILE 60 Ca 0.19 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 3kd3 h ILE 60 Cb 0.40 0.90 -0.23 0.00 -0.74 0.00 0.00 36.82 37.16 3kd3 h ILE 60 CO 0.01 0.05 -0.10 0.00 0.00 0.00 0.00 178.15 178.11 3kd3 s ALA 61 N -5.70 -1.54 -0.11 1.87 0.00 -0.62 -5.12 121.76 110.54 3kd3 s ALA 61 Ca -0.15 2.04 -0.05 0.00 0.00 0.00 0.00 51.96 53.80 3kd3 s ALA 61 Cb 0.04 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 3kd3 s ALA 61 CO 0.63 -0.33 0.10 -1.54 0.00 0.00 0.00 175.76 174.62 3kd3 s SER 62 N 1.45 6.08 1.03 0.00 1.04 -1.12 -4.14 113.70 118.04 3kd3 s SER 62 Ca -0.09 0.38 -0.16 0.00 0.48 0.00 0.00 55.95 56.56 3kd3 s SER 62 Cb -0.06 -1.90 0.21 0.00 0.10 0.00 0.00 66.02 64.36 3kd3 s SER 62 CO -0.16 0.39 1.17 -2.16 0.98 0.00 0.00 173.24 173.47 3kd3 s PRO 63 N -1.03 0.12 0.34 4.02 0.04 -1.26 -4.88 135.00 132.34 3kd3 s PRO 63 Ca 0.15 -0.01 0.10 0.00 0.04 0.00 0.00 61.00 61.28 3kd3 s PRO 63 Cb -0.12 -1.75 -0.06 0.00 0.04 0.00 0.00 34.50 32.61 3kd3 s PRO 63 CO 0.04 -2.83 -0.10 0.95 0.04 0.00 0.00 177.00 175.10 3kd3 s THR 64 N -3.32 2.27 0.18 1.26 -4.23 -1.26 -3.46 115.64 107.08 3kd3 s THR 64 Ca 0.69 -2.22 -0.15 0.00 -1.18 0.00 0.00 61.69 58.83 3kd3 s THR 64 Cb -0.10 -2.62 0.10 0.00 1.34 0.00 0.00 72.50 71.21 3kd3 s THR 64 CO 0.54 -0.22 1.70 0.50 -0.54 0.00 0.00 174.62 176.60 3kd3 h LYS 65 N 2.04 0.14 -0.15 3.99 3.64 -1.29 -2.25 116.57 122.69 3kd3 h LYS 65 Ca -0.42 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 58.85 3kd3 h LYS 65 Cb 1.25 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 3kd3 h LYS 65 CO 0.69 0.09 -0.36 0.37 -2.27 0.00 0.00 179.45 177.98 3kd3 h GLN 66 N 0.14 0.31 -0.30 1.90 5.75 -1.97 -2.59 115.11 118.36 3kd3 h GLN 66 Ca 0.22 -0.14 -0.01 0.00 -0.15 0.00 0.00 58.65 58.58 3kd3 h GLN 66 Cb 0.32 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.84 3kd3 h GLN 66 CO -0.35 0.63 0.16 0.66 -2.65 0.00 0.00 178.83 177.29 3kd3 h SER 67 N 0.27 0.35 -0.25 -0.69 4.64 -1.78 0.13 113.55 116.22 3kd3 h SER 67 Ca 0.03 -0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 61.14 3kd3 h SER 67 Cb 0.76 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3kd3 h SER 67 CO 0.06 0.29 -0.58 0.40 -0.87 0.00 0.00 176.83 176.13 3kd3 h ILE 68 N 0.41 1.28 -0.72 0.95 2.04 -1.20 -2.18 117.51 118.08 3kd3 h ILE 68 Ca 0.11 -1.77 -0.07 0.00 1.00 0.00 0.00 64.86 64.13 3kd3 h ILE 68 Cb 0.02 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 3kd3 h ILE 68 CO -0.02 0.57 0.19 0.11 0.00 0.00 0.00 178.15 179.01 3kd3 h LYS 69 N 0.60 1.15 -0.54 2.37 1.57 -1.09 -1.26 116.57 119.35 3kd3 h LYS 69 Ca -0.00 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 3kd3 h LYS 69 Cb 1.20 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 3kd3 h LYS 69 CO 0.13 1.00 0.26 1.49 -0.57 0.00 0.00 179.45 181.75 3kd3 h GLU 70 N 1.09 0.78 -0.33 3.15 4.57 -1.00 0.27 114.58 123.11 3kd3 h GLU 70 Ca 0.23 -0.12 0.06 0.00 -1.18 0.00 0.00 59.36 58.35 3kd3 h GLU 70 Cb 0.35 -0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 28.75 3kd3 h GLU 70 CO -0.00 0.65 -0.04 0.35 -1.18 0.00 0.00 179.01 178.79 3kd3 h PHE 71 N 0.73 -0.09 -0.42 0.92 3.57 -0.99 -1.38 116.94 119.29 3kd3 h PHE 71 Ca 0.19 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.71 3kd3 h PHE 71 Cb 0.13 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 3kd3 h PHE 71 CO -0.00 -0.10 0.27 0.77 -2.23 0.00 0.00 178.31 177.02 3kd3 h SER 72 N 0.05 0.49 -0.73 0.41 0.02 -0.95 -1.14 113.55 111.70 3kd3 h SER 72 Ca 0.16 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3kd3 h SER 72 Cb 0.23 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 3kd3 h SER 72 CO -0.30 0.38 0.42 0.78 -1.14 0.00 0.00 176.83 176.97 3kd3 h ASN 73 N 0.56 0.90 0.41 3.07 2.35 -0.66 -1.91 115.58 120.29 3kd3 h ASN 73 Ca 0.15 -0.06 -0.30 0.00 -0.55 0.00 0.00 56.30 55.54 3kd3 h ASN 73 Cb -0.04 -0.23 0.02 0.00 0.05 0.00 0.00 38.32 38.13 3kd3 h ASN 73 CO -0.03 0.71 -1.31 0.11 -1.65 0.00 0.00 177.43 175.26 3kd3 h LYS 74 N 1.02 0.43 0.00 0.81 1.57 -0.94 -3.41 116.57 116.05 3kd3 h LYS 74 Ca 0.26 -0.68 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3kd3 h LYS 74 Cb -0.01 0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3kd3 h LYS 74 CO -0.05 1.32 -0.29 0.66 -0.57 0.00 0.00 179.45 180.52 3kd3 n TYR 75 N -3.65 0.00 -3.45 -1.35 4.01 -0.46 -4.80 117.16 107.46 3kd3 n TYR 75 Ca -0.12 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.22 3kd3 n TYR 75 Cb 1.03 -0.01 -0.10 0.00 -0.31 0.00 0.00 39.34 39.96 3kd3 n TYR 75 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kd3 n PRO 77 N 5.27 1.54 0.13 0.00 -0.04 -1.26 -4.86 135.00 135.79 3kd3 n PRO 77 Ca -0.10 -1.61 0.12 0.00 -0.04 0.00 0.00 63.50 61.88 3kd3 n PRO 77 Cb 0.50 -1.35 0.48 0.00 -0.04 0.00 0.00 33.50 33.10 3kd3 n PRO 77 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kd3 n ASN 78 N 1.00 0.74 -0.03 3.54 3.02 -0.81 -1.96 115.26 120.76 3kd3 n ASN 78 Ca 0.11 0.66 0.14 0.00 -0.03 0.00 0.00 54.58 55.45 3kd3 n ASN 78 Cb 0.45 -0.82 0.57 0.00 -0.61 0.00 0.00 39.78 39.36 3kd3 n ASN 78 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3kd3 n LEU 79 N -2.29 0.22 -4.77 3.41 7.94 -0.17 -4.88 117.00 116.46 3kd3 n LEU 79 Ca 0.03 0.25 -0.41 0.00 -1.11 0.00 0.00 56.01 54.76 3kd3 n LEU 79 Cb 0.27 -0.34 -0.01 0.00 0.53 0.00 0.00 43.42 43.87 3kd3 n LEU 79 CO 0.22 0.05 1.07 -0.76 -1.11 0.00 0.00 177.39 176.86 3kd3 s LEU 80 N -2.80 4.38 0.20 -1.96 1.43 -0.83 -0.91 118.68 118.18 3kd3 s LEU 80 Ca 0.19 2.83 -0.32 0.00 -1.03 0.00 0.00 54.13 55.80 3kd3 s LEU 80 Cb 0.19 -3.65 -0.15 0.00 0.03 0.00 0.00 46.19 42.61 3kd3 s LEU 80 CO 0.54 -0.70 1.16 0.41 0.23 0.00 0.00 176.35 177.99 3kd3 n THR 81 N 1.05 1.08 -1.63 5.49 -1.04 0.16 -4.74 114.28 114.65 3kd3 n THR 81 Ca 0.02 -0.27 -0.50 0.00 -2.04 0.00 0.00 64.05 61.27 3kd3 n THR 81 Cb 0.40 -0.94 -0.05 0.00 -1.82 0.00 0.00 70.33 67.93 3kd3 n THR 81 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3kd3 n ASP 82 N 1.91 2.33 0.00 8.00 2.03 -1.26 -2.02 116.55 127.54 3kd3 n ASP 82 Ca 0.14 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.55 3kd3 n ASP 82 Cb 0.26 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.37 3kd3 n ASP 82 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kd3 n GLY 83 N 3.02 0.54 0.19 0.27 0.00 -1.26 -4.55 105.19 103.39 3kd3 n GLY 83 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 3kd3 n GLY 83 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kd3 h ILE 84 N 0.00 1.35 -0.52 -0.61 6.09 -1.77 -2.29 117.51 119.76 3kd3 h ILE 84 Ca 0.00 -2.09 -0.01 0.00 -1.37 0.00 0.00 64.86 61.39 3kd3 h ILE 84 Cb 0.14 2.07 -0.02 0.00 0.47 0.00 0.00 36.82 39.47 3kd3 h ILE 84 CO 0.00 0.64 0.29 0.50 -3.07 0.00 0.00 178.15 176.50 3kd3 h LYS 85 N 0.36 0.73 -0.56 2.19 3.64 -1.92 0.36 116.57 121.37 3kd3 h LYS 85 Ca -0.04 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.18 3kd3 h LYS 85 Cb 1.33 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 3kd3 h LYS 85 CO 0.14 0.57 0.05 1.49 -2.27 0.00 0.00 179.45 179.42 3kd3 h GLU 86 N 0.70 0.93 -0.39 1.90 4.81 -1.95 -1.63 114.58 118.96 3kd3 h GLU 86 Ca 0.18 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3kd3 h GLU 86 Cb 0.05 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3kd3 h GLU 86 CO -0.03 0.90 0.18 1.25 -0.73 0.00 0.00 179.01 180.58 3kd3 h LEU 87 N 0.87 0.51 -0.59 1.64 5.85 -1.05 -0.11 115.31 122.45 3kd3 h LEU 87 Ca 0.17 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.76 3kd3 h LEU 87 Cb 0.45 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3kd3 h LEU 87 CO 0.02 0.51 0.38 0.58 -0.34 0.00 0.00 178.44 179.59 3kd3 h VAL 88 N 0.49 1.14 -0.54 1.05 2.07 -0.62 0.06 116.25 119.89 3kd3 h VAL 88 Ca 0.13 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 3kd3 h VAL 88 Cb 0.13 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3kd3 h VAL 88 CO -0.02 0.14 -0.02 -0.61 0.02 0.00 0.00 177.57 177.09 3kd3 h GLN 89 N 0.78 0.94 -0.69 1.57 5.75 -1.09 -1.08 115.11 121.29 3kd3 h GLN 89 Ca 0.22 -0.29 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 3kd3 h GLN 89 Cb -0.07 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.35 3kd3 h GLN 89 CO -0.06 0.94 0.42 -0.44 -2.65 0.00 0.00 178.83 177.04 3kd3 h ASP 90 N 0.86 0.83 -0.62 -0.69 3.32 -0.33 0.16 116.42 119.96 3kd3 h ASP 90 Ca 0.16 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 3kd3 h ASP 90 Cb 0.54 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 3kd3 h ASP 90 CO 0.03 0.65 0.27 -0.07 -1.72 0.00 0.00 179.24 178.40 3kd3 h LEU 91 N 0.95 0.83 -0.92 1.55 3.38 -0.70 -1.88 115.31 118.51 3kd3 h LEU 91 Ca 0.25 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3kd3 h LEU 91 Cb -0.03 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3kd3 h LEU 91 CO -0.05 0.76 0.14 0.11 0.09 0.00 0.00 178.44 179.49 3kd3 h LYS 92 N 0.85 0.93 -0.01 1.13 1.57 -0.79 -1.86 116.57 118.39 3kd3 h LYS 92 Ca 0.21 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3kd3 h LYS 92 Cb 0.17 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3kd3 h LYS 92 CO -0.02 0.84 -0.25 -0.91 -0.57 0.00 0.00 179.45 178.54 3kd3 h ASN 93 N 0.89 0.01 -0.21 0.86 2.35 -0.59 -1.76 115.58 117.13 3kd3 h ASN 93 Ca 0.19 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3kd3 h ASN 93 Cb 0.33 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 3kd3 h ASN 93 CO 0.00 0.26 0.00 0.29 -1.65 0.00 0.00 177.43 176.33 3kd3 n LYS 94 N -4.24 1.60 -0.26 0.81 4.76 -0.74 -4.92 118.16 115.16 3kd3 n LYS 94 Ca -0.02 -0.92 0.00 0.00 -2.87 0.00 0.00 58.31 54.50 3kd3 n LYS 94 Cb 0.30 -1.27 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 3kd3 n LYS 94 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kd3 n GLY 95 N 0.98 0.84 3.77 0.72 0.00 -0.66 -5.06 105.19 105.77 3kd3 n GLY 95 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3kd3 n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kd3 s PHE 96 N -2.07 3.78 0.09 1.61 0.08 -0.76 -4.44 117.98 116.27 3kd3 s PHE 96 Ca 0.00 1.43 -0.25 0.00 0.12 0.00 0.00 56.93 58.23 3kd3 s PHE 96 Cb 0.00 -2.71 -0.06 0.00 -0.57 0.00 0.00 43.02 39.68 3kd3 s PHE 96 CO 0.00 0.41 0.77 -2.00 -0.10 0.00 0.00 175.22 174.30 3kd3 s GLU 97 N -0.54 4.52 -0.15 0.44 2.56 -0.20 -4.17 118.70 121.17 3kd3 s GLU 97 Ca 0.35 1.10 -0.03 0.00 0.00 0.00 0.00 54.97 56.40 3kd3 s GLU 97 Cb -0.21 -3.32 -0.02 0.00 2.00 0.00 0.00 34.13 32.58 3kd3 s GLU 97 CO 0.22 0.39 -0.07 0.42 -0.56 0.00 0.00 175.26 175.66 3kd3 s ILE 98 N -0.47 3.61 0.16 -3.70 -1.09 -1.26 -0.82 121.20 117.64 3kd3 s ILE 98 Ca 0.38 -0.46 0.07 0.00 -2.23 0.00 0.00 60.65 58.41 3kd3 s ILE 98 Cb -0.22 -2.56 -0.04 0.00 -1.58 0.00 0.00 42.46 38.06 3kd3 s ILE 98 CO 0.24 0.50 -0.15 0.26 -1.23 0.00 0.00 174.94 174.57 3kd3 s TRP 99 N 0.37 1.59 -0.18 3.97 0.52 -0.25 -4.66 118.94 120.30 3kd3 s TRP 99 Ca -0.06 -0.57 0.01 0.00 0.02 0.00 0.00 56.10 55.50 3kd3 s TRP 99 Cb -0.15 -0.78 0.03 0.00 -1.15 0.00 0.00 33.47 31.42 3kd3 s TRP 99 CO 0.04 0.26 -0.14 0.42 0.02 0.00 0.00 176.95 177.55 3kd3 s ILE 100 N -2.57 1.72 -0.18 2.03 1.01 -0.34 -1.25 121.20 121.62 3kd3 s ILE 100 Ca 0.16 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.92 3kd3 s ILE 100 Cb -0.03 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.77 3kd3 s ILE 100 CO 0.05 0.35 -0.12 -0.36 0.00 0.00 0.00 174.94 174.85 3kd3 s PHE 101 N 1.40 2.85 0.01 3.97 0.08 -0.80 -0.56 117.98 124.93 3kd3 s PHE 101 Ca 0.02 -1.13 -0.12 0.00 0.12 0.00 0.00 56.93 55.83 3kd3 s PHE 101 Cb -0.14 -1.98 0.01 0.00 -0.57 0.00 0.00 43.02 40.34 3kd3 s PHE 101 CO -0.10 -0.57 0.25 0.45 -0.10 0.00 0.00 175.22 175.15 3kd3 s SER 102 N 1.16 -0.08 0.00 1.36 0.15 -0.67 -4.10 113.70 111.52 3kd3 s SER 102 Ca 0.01 -0.13 0.23 0.00 0.70 0.00 0.00 55.95 56.76 3kd3 s SER 102 Cb -0.14 0.29 0.72 0.00 -1.71 0.00 0.00 66.02 65.18 3kd3 s SER 102 CO -0.04 -0.49 1.54 0.61 1.20 0.00 0.00 173.24 176.06 3kd3 n GLY 103 N 1.05 0.49 3.85 9.45 0.00 -1.26 -3.78 105.19 114.99 3kd3 n GLY 103 Ca -0.21 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 3kd3 n GLY 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kd3 s GLY 104 N -1.67 1.60 -0.09 -0.02 0.00 -1.26 -4.71 107.32 101.18 3kd3 s GLY 104 Ca 0.34 -0.65 -0.30 0.00 0.00 0.00 0.00 44.72 44.11 3kd3 s GLY 104 CO 0.29 -0.10 1.09 1.08 0.00 0.00 0.00 173.10 175.45 3kd3 s LEU 105 N -5.83 4.26 0.27 0.66 1.43 -1.26 -1.33 118.68 116.89 3kd3 s LEU 105 Ca 0.64 1.65 0.01 0.00 -1.03 0.00 0.00 54.13 55.39 3kd3 s LEU 105 Cb -0.12 -3.56 0.58 0.00 0.03 0.00 0.00 46.19 43.12 3kd3 s LEU 105 CO 0.51 -0.51 1.78 -1.28 0.23 0.00 0.00 176.35 177.08 3kd3 h SER 106 N 7.25 0.65 0.31 2.29 0.87 -1.14 -0.82 113.55 122.97 3kd3 h SER 106 Ca -0.32 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.29 3kd3 h SER 106 Cb 1.15 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.08 3kd3 h SER 106 CO 0.87 0.28 -0.16 -0.33 -0.53 0.00 0.00 176.83 176.96 3kd3 h GLU 107 N 0.72 0.00 0.00 2.24 5.08 -1.92 -1.83 114.58 118.87 3kd3 h GLU 107 Ca 0.49 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.79 3kd3 h GLU 107 Cb 0.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3kd3 h GLU 107 CO -0.35 0.16 -0.27 0.66 -1.00 0.00 0.00 179.01 178.21 3kd3 h SER 108 N 0.00 0.00 0.47 1.42 4.64 -1.52 -3.33 113.55 115.24 3kd3 h SER 108 Ca -0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 3kd3 h SER 108 Cb 0.36 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 3kd3 h SER 108 CO 0.02 0.27 -1.56 0.40 -0.87 0.00 0.00 176.83 175.09 3kd3 h ILE 109 N 0.00 1.10 -0.66 0.95 2.04 -0.94 -3.41 117.51 116.59 3kd3 h ILE 109 Ca -0.00 -2.79 0.14 0.00 1.00 0.00 0.00 64.86 63.21 3kd3 h ILE 109 Cb 1.19 2.68 -0.11 0.00 -0.74 0.00 0.00 36.82 39.84 3kd3 h ILE 109 CO 0.04 0.78 -0.01 -0.61 0.00 0.00 0.00 178.15 178.35 3kd3 h GLN 110 N 0.05 0.10 -0.53 2.37 4.15 -1.53 -0.34 115.11 119.39 3kd3 h GLN 110 Ca -0.25 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.14 3kd3 h GLN 110 Cb 2.00 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 29.64 3kd3 h GLN 110 CO 0.14 0.07 0.22 -1.35 -1.93 0.00 0.00 178.83 175.98 3kd3 h PRO 111 N 0.11 0.75 -0.27 -2.39 0.11 -1.80 0.30 132.00 128.81 3kd3 h PRO 111 Ca 0.35 -0.10 -0.06 0.00 0.11 0.00 0.00 66.00 66.30 3kd3 h PRO 111 Cb 0.58 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 3kd3 h PRO 111 CO -0.58 0.61 -0.05 0.74 -0.21 0.00 0.00 178.00 178.51 3kd3 h PHE 112 N 0.75 0.56 -0.71 0.65 0.04 -1.36 -1.84 116.94 115.04 3kd3 h PHE 112 Ca 0.18 -0.12 0.01 0.00 2.80 0.00 0.00 57.97 60.84 3kd3 h PHE 112 Cb 0.13 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.10 3kd3 h PHE 112 CO 0.01 0.70 0.47 0.00 -0.60 0.00 0.00 178.31 178.89 3kd3 h ALA 113 N 0.78 0.90 -0.25 2.45 0.00 -0.67 -0.51 119.26 121.96 3kd3 h ALA 113 Ca 0.07 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3kd3 h ALA 113 Cb 0.51 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3kd3 h ALA 113 CO 0.02 0.31 -0.04 -0.44 0.00 0.00 0.00 179.25 179.10 3kd3 h ASP 114 N 0.95 -0.19 -0.73 0.00 3.32 -0.86 0.25 116.42 119.15 3kd3 h ASP 114 Ca 0.26 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.39 3kd3 h ASP 114 Cb -0.10 0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 3kd3 h ASP 114 CO -0.06 -0.06 0.49 0.22 -1.72 0.00 0.00 179.24 178.10 3kd3 h TYR 115 N 0.02 0.93 -0.00 4.55 3.20 -0.65 -2.23 116.97 122.79 3kd3 h TYR 115 Ca 0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3kd3 h TYR 115 Cb 0.18 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.14 3kd3 h TYR 115 CO -0.24 0.58 -0.07 1.28 -1.64 0.00 0.00 178.16 178.08 3kd3 n LEU 116 N -4.42 0.41 -2.56 2.82 4.77 -0.26 -4.92 117.00 112.84 3kd3 n LEU 116 Ca 0.08 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.88 3kd3 n LEU 116 Cb 0.03 -0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.01 3kd3 n LEU 116 CO 0.36 0.07 0.03 0.59 -1.33 0.00 0.00 177.39 177.12 3kd3 n ASN 117 N -0.92 -5.31 -4.66 -1.43 3.02 -0.28 -4.81 115.26 100.86 3kd3 n ASN 117 Ca 0.16 -0.26 -0.37 0.00 -0.03 0.00 0.00 54.58 54.08 3kd3 n ASN 117 Cb 0.25 -4.12 -0.09 0.00 -0.61 0.00 0.00 39.78 35.21 3kd3 n ASN 117 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kd3 s ILE 118 N -3.09 5.32 0.38 2.41 1.01 -0.08 -5.03 121.20 122.12 3kd3 s ILE 118 Ca 0.28 0.32 -0.27 0.00 0.00 0.00 0.00 60.65 60.98 3kd3 s ILE 118 Cb -0.12 -3.56 -0.11 0.00 0.01 0.00 0.00 42.46 38.68 3kd3 s ILE 118 CO 0.35 0.32 1.33 -2.65 0.00 0.00 0.00 174.94 174.29 3kd3 n PRO 119 N 4.34 2.17 0.09 2.79 -0.02 -1.26 -4.32 135.00 138.78 3kd3 n PRO 119 Ca -0.13 0.76 0.04 0.00 -2.02 0.00 0.00 63.50 62.15 3kd3 n PRO 119 Cb 0.52 -2.43 0.45 0.00 -0.02 0.00 0.00 33.50 32.02 3kd3 n PRO 119 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kd3 h ARG 120 N 2.44 0.34 0.00 -0.52 3.08 -1.96 -1.16 114.38 116.60 3kd3 h ARG 120 Ca -0.48 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.53 3kd3 h ARG 120 Cb 1.28 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3kd3 h ARG 120 CO 0.62 0.30 0.00 -0.85 -1.07 0.00 0.00 179.97 178.97 3kd3 n GLU 121 N -4.41 0.34 -0.35 0.04 0.00 -1.26 -2.60 120.64 112.39 3kd3 n GLU 121 Ca 0.01 0.09 0.09 0.00 0.00 0.00 0.00 57.16 57.35 3kd3 n GLU 121 Cb 0.14 -1.50 0.27 0.00 0.00 0.00 0.00 31.44 30.35 3kd3 n GLU 121 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3kd3 n ASN 122 N -1.22 3.76 -4.44 -1.84 4.13 -0.44 -4.89 115.26 110.32 3kd3 n ASN 122 Ca 0.10 -2.12 -0.37 0.00 1.68 0.00 0.00 54.58 53.86 3kd3 n ASN 122 Cb 0.13 -0.42 -0.12 0.00 -1.54 0.00 0.00 39.78 37.82 3kd3 n ASN 122 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3kd3 s ILE 123 N -1.22 4.44 -0.46 2.41 1.01 -1.07 -1.20 121.20 125.11 3kd3 s ILE 123 Ca 0.41 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.79 3kd3 s ILE 123 Cb 0.23 -3.18 0.12 0.00 0.01 0.00 0.00 42.46 39.64 3kd3 s ILE 123 CO 0.25 0.20 0.20 -0.36 0.00 0.00 0.00 174.94 175.23 3kd3 s PHE 124 N 1.61 3.16 0.28 3.97 0.08 0.28 -5.00 117.98 122.37 3kd3 s PHE 124 Ca 0.05 -3.02 0.04 0.00 0.12 0.00 0.00 56.93 54.13 3kd3 s PHE 124 Cb -0.16 -2.72 -0.02 0.00 -0.57 0.00 0.00 43.02 39.55 3kd3 s PHE 124 CO 0.05 -0.80 0.28 0.00 -0.10 0.00 0.00 175.22 174.65 3kd3 n ALA 125 N 3.49 0.34 -2.22 5.36 0.00 -1.26 -1.66 120.51 124.56 3kd3 n ALA 125 Ca 0.05 -1.54 -0.43 0.00 0.00 0.00 0.00 53.44 51.52 3kd3 n ALA 125 Cb 0.35 1.25 -0.02 0.00 0.00 0.00 0.00 19.45 21.02 3kd3 n ALA 125 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kd3 s VAL 126 N -3.01 3.87 0.02 0.00 1.01 -0.44 -4.63 120.40 117.22 3kd3 s VAL 126 Ca 0.31 0.99 -0.12 0.00 0.00 0.00 0.00 61.98 63.16 3kd3 s VAL 126 Cb 0.01 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 3kd3 s VAL 126 CO 0.22 -0.31 0.37 -1.61 0.00 0.00 0.00 175.10 173.77 3kd3 s GLU 127 N 4.36 3.79 0.05 2.72 2.02 -1.26 -0.64 118.70 129.74 3kd3 s GLU 127 Ca 0.66 0.25 0.07 0.00 0.02 0.00 0.00 54.97 55.96 3kd3 s GLU 127 Cb -0.23 -3.12 -0.03 0.00 0.10 0.00 0.00 34.13 30.85 3kd3 s GLU 127 CO 0.26 0.64 -0.19 0.95 0.02 0.00 0.00 175.26 176.94 3kd3 s THR 128 N -1.21 1.56 -0.13 3.63 -4.23 -1.26 -1.07 115.64 112.92 3kd3 s THR 128 Ca 0.27 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 3kd3 s THR 128 Cb -0.15 -1.37 -0.01 0.00 1.34 0.00 0.00 72.50 72.31 3kd3 s THR 128 CO 0.15 0.14 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.60 3kd3 s ILE 129 N -0.84 2.92 0.03 2.99 -1.09 0.25 -4.85 121.20 120.61 3kd3 s ILE 129 Ca 0.06 -0.71 0.01 0.00 -2.23 0.00 0.00 60.65 57.78 3kd3 s ILE 129 Cb -0.09 -2.22 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 3kd3 s ILE 129 CO 0.02 0.53 0.10 0.26 -1.23 0.00 0.00 174.94 174.61 3kd3 s TRP 130 N 0.41 3.29 0.93 3.97 0.52 -1.26 -0.94 118.94 125.85 3kd3 s TRP 130 Ca -0.11 0.18 -0.12 0.00 0.02 0.00 0.00 56.10 56.07 3kd3 s TRP 130 Cb -0.16 -1.71 0.15 0.00 -1.15 0.00 0.00 33.47 30.60 3kd3 s TRP 130 CO 0.05 0.55 1.09 -0.80 0.02 0.00 0.00 176.95 177.87 3kd3 s ASN 131 N -2.02 3.20 0.61 2.95 0.02 0.19 -4.79 114.94 115.10 3kd3 s ASN 131 Ca 0.26 1.36 0.38 0.00 -1.02 0.00 0.00 52.86 53.84 3kd3 s ASN 131 Cb -0.12 -2.04 2.01 0.00 0.02 0.00 0.00 41.25 41.12 3kd3 s ASN 131 CO 0.18 -2.80 2.25 0.77 0.02 0.00 0.00 177.10 177.52 3kd3 h SER 132 N -1.66 0.00 -0.26 -1.22 4.64 -2.00 -1.07 113.55 111.98 3kd3 h SER 132 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3kd3 h SER 132 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3kd3 h SER 132 CO 0.56 0.02 0.00 -0.90 -0.87 0.00 0.00 176.83 175.64 3kd3 n ASP 133 N -3.30 1.74 0.00 4.97 5.68 -1.26 -4.92 116.55 119.46 3kd3 n ASP 133 Ca -0.02 -1.85 0.00 0.00 -0.50 0.00 0.00 54.79 52.41 3kd3 n ASP 133 Cb 0.14 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 3kd3 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kd3 n GLY 134 N 1.08 1.60 3.78 6.12 0.00 -0.41 -4.99 105.19 112.39 3kd3 n GLY 134 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 3kd3 n GLY 134 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kd3 s SER 135 N -3.14 5.28 0.10 1.61 1.04 -1.26 -0.79 113.70 116.53 3kd3 s SER 135 Ca 0.00 1.90 -0.31 0.00 0.48 0.00 0.00 55.95 58.02 3kd3 s SER 135 Cb 0.00 -2.54 -0.10 0.00 0.10 0.00 0.00 66.02 63.48 3kd3 s SER 135 CO 0.00 -1.51 1.86 0.12 0.98 0.00 0.00 173.24 174.68 3kd3 s PHE 136 N -2.48 1.94 -0.16 5.02 5.36 -1.22 -0.64 117.98 125.80 3kd3 s PHE 136 Ca 0.65 -0.12 -0.13 0.00 -0.96 0.00 0.00 56.93 56.37 3kd3 s PHE 136 Cb -0.18 -4.19 -0.04 0.00 -0.34 0.00 0.00 43.02 38.26 3kd3 s PHE 136 CO 0.42 -5.01 -0.25 1.17 -1.46 0.00 0.00 175.22 170.10 3kd3 n LYS 137 N 6.14 0.49 -3.52 10.12 4.81 -0.12 -4.73 118.16 131.35 3kd3 n LYS 137 Ca 0.18 0.40 -0.08 0.00 -0.87 0.00 0.00 58.31 57.94 3kd3 n LYS 137 Cb 0.39 -1.58 -0.02 0.00 0.02 0.00 0.00 35.03 33.83 3kd3 n LYS 137 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3kd3 s GLU 138 N -2.52 0.75 0.46 1.64 -1.05 -1.07 -5.02 118.70 111.89 3kd3 s GLU 138 Ca -0.21 -0.26 -0.21 0.00 -0.15 0.00 0.00 54.97 54.14 3kd3 s GLU 138 Cb 0.03 0.35 -0.10 0.00 -0.44 0.00 0.00 34.13 33.97 3kd3 s GLU 138 CO 0.31 -0.33 1.00 -0.51 0.95 0.00 0.00 175.26 176.69 3kd3 s LEU 139 N -2.39 3.89 -0.40 1.83 1.43 -1.26 -0.58 118.68 121.20 3kd3 s LEU 139 Ca 0.05 1.83 -0.04 0.00 -1.03 0.00 0.00 54.13 54.95 3kd3 s LEU 139 Cb -0.01 -4.55 0.10 0.00 0.03 0.00 0.00 46.19 41.76 3kd3 s LEU 139 CO -0.08 -0.60 0.18 -0.62 0.23 0.00 0.00 176.35 175.46 3kd3 s ASP 140 N -2.06 5.26 -0.30 2.29 -1.08 -0.24 -4.85 116.67 115.69 3kd3 s ASP 140 Ca 0.65 -1.87 0.04 0.00 -0.52 0.00 0.00 52.55 50.85 3kd3 s ASP 140 Cb -0.13 -1.83 0.48 0.00 -1.46 0.00 0.00 42.92 39.98 3kd3 s ASP 140 CO 0.17 -0.51 1.61 -3.20 0.52 0.00 0.00 175.17 173.77 3kd3 n ASN 141 N 4.64 3.62 -0.15 -0.34 5.15 -1.26 -4.19 115.26 122.73 3kd3 n ASN 141 Ca -0.05 -3.07 0.11 0.00 -0.60 0.00 0.00 54.58 50.97 3kd3 n ASN 141 Cb 0.42 -0.73 0.44 0.00 -0.53 0.00 0.00 39.78 39.39 3kd3 n ASN 141 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3kd3 h SER 142 N 0.95 0.49 0.09 1.20 0.02 -1.96 -1.65 113.55 112.69 3kd3 h SER 142 Ca 0.39 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 3kd3 h SER 142 Cb 2.22 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.67 3kd3 h SER 142 CO 0.73 0.29 -0.09 -0.46 -1.14 0.00 0.00 176.83 176.16 3kd3 n ASN 143 N -4.49 1.21 0.00 3.07 6.94 -1.26 -4.95 115.26 115.78 3kd3 n ASN 143 Ca 0.12 -1.22 0.00 0.00 -0.02 0.00 0.00 54.58 53.46 3kd3 n ASN 143 Cb 0.37 0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 3kd3 n ASN 143 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kd3 n GLY 144 N 1.23 2.33 0.29 4.83 0.00 -0.62 -3.89 105.19 109.34 3kd3 n GLY 144 Ca 0.17 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.36 3kd3 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kd3 h ALA 145 N 0.00 1.01 0.00 4.61 0.00 -1.82 -1.56 119.26 121.50 3kd3 h ALA 145 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kd3 h ALA 145 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kd3 h ALA 145 CO 0.00 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3kd3 n ASP 147 N -2.85 1.86 -3.60 0.00 8.00 -0.61 -4.26 116.55 115.09 3kd3 n ASP 147 Ca 0.03 0.44 0.00 0.00 0.71 0.00 0.00 54.79 55.97 3kd3 n ASP 147 Cb 0.39 -0.96 -0.01 0.00 -0.02 0.00 0.00 41.12 40.52 3kd3 n ASP 147 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3kd3 s SER 148 N -6.77 -0.05 0.38 -2.24 1.04 -1.05 -3.84 113.70 101.17 3kd3 s SER 148 Ca -0.28 -0.05 0.10 0.00 0.48 0.00 0.00 55.95 56.20 3kd3 s SER 148 Cb 0.06 0.09 0.75 0.00 0.10 0.00 0.00 66.02 67.02 3kd3 s SER 148 CO 0.55 -0.16 1.88 0.11 0.98 0.00 0.00 173.24 176.60 3kd3 h LYS 149 N 2.00 0.18 -0.42 4.02 1.57 -1.86 -2.50 116.57 119.56 3kd3 h LYS 149 Ca -0.23 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3kd3 h LYS 149 Cb 1.18 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 3kd3 h LYS 149 CO 0.26 0.39 0.27 -0.07 -0.57 0.00 0.00 179.45 179.73 3kd3 h LEU 150 N 0.17 0.50 -0.49 2.94 3.38 -1.93 0.23 115.31 120.11 3kd3 h LEU 150 Ca 0.03 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3kd3 h LEU 150 Cb 0.47 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3kd3 h LEU 150 CO 0.03 0.38 -0.09 -1.28 0.09 0.00 0.00 178.44 177.58 3kd3 h SER 151 N 0.57 0.92 -0.75 -0.43 0.87 -1.77 -1.56 113.55 111.39 3kd3 h SER 151 Ca 0.15 -0.35 -0.06 0.00 -1.23 0.00 0.00 61.79 60.30 3kd3 h SER 151 Cb -0.03 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.65 3kd3 h SER 151 CO -0.03 1.05 0.23 0.00 -0.53 0.00 0.00 176.83 177.55 3kd3 h ALA 152 N 0.90 0.98 -0.41 6.23 0.00 -1.11 -2.06 119.26 123.78 3kd3 h ALA 152 Ca 0.13 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3kd3 h ALA 152 Cb 0.63 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3kd3 h ALA 152 CO 0.04 0.67 0.11 0.35 0.00 0.00 0.00 179.25 180.42 3kd3 h PHE 153 N 1.12 0.68 -0.87 0.00 3.57 -0.42 -1.52 116.94 119.49 3kd3 h PHE 153 Ca 0.24 -0.08 0.07 0.00 3.53 0.00 0.00 57.97 61.73 3kd3 h PHE 153 Cb 0.32 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.80 3kd3 h PHE 153 CO 0.03 0.64 0.53 0.22 -2.23 0.00 0.00 178.31 177.50 3kd3 h ASP 154 N 0.52 0.83 0.61 0.41 3.58 -1.01 0.17 116.42 121.54 3kd3 h ASP 154 Ca 0.13 0.02 -0.12 0.00 0.42 0.00 0.00 57.03 57.48 3kd3 h ASP 154 Cb 0.29 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 3kd3 h ASP 154 CO -0.00 0.52 -0.58 0.11 -2.88 0.00 0.00 179.24 176.40 3kd3 h LYS 155 N 0.96 0.00 -0.01 0.28 1.57 -1.15 -3.26 116.57 114.96 3kd3 h LYS 155 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3kd3 h LYS 155 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3kd3 h LYS 155 CO -0.19 0.58 -0.61 0.00 -0.57 0.00 0.00 179.45 178.67 3kd3 n ALA 156 N -2.42 3.86 0.31 3.86 0.00 -0.59 -4.62 120.51 120.91 3kd3 n ALA 156 Ca -0.01 -0.55 0.21 0.00 0.00 0.00 0.00 53.44 53.08 3kd3 n ALA 156 Cb 0.59 -0.89 1.00 0.00 0.00 0.00 0.00 19.45 20.16 3kd3 n ALA 156 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3kd3 h LYS 157 N 1.14 0.00 0.00 0.00 2.10 -0.76 0.47 116.57 119.52 3kd3 h LYS 157 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kd3 h LYS 157 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 3kd3 h LYS 157 CO 0.00 0.00 0.00 0.78 -2.00 0.00 0.00 179.45 178.23 3kd3 h GLY 158 N 0.83 0.00 0.99 0.07 0.00 -1.85 -2.37 103.07 100.75 3kd3 h GLY 158 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kd3 h GLY 158 CO 0.00 0.00 -0.54 1.04 0.00 0.00 0.00 176.54 177.04 3kd3 n LEU 159 N -2.79 0.53 -4.17 3.11 4.77 0.16 -4.85 117.00 113.76 3kd3 n LEU 159 Ca -0.01 0.02 -0.34 0.00 -0.03 0.00 0.00 56.01 55.66 3kd3 n LEU 159 Cb 0.17 -0.23 -0.14 0.00 -2.33 0.00 0.00 43.42 40.88 3kd3 n LEU 159 CO 0.21 0.10 -0.42 -0.63 -1.33 0.00 0.00 177.39 175.32 3kd3 s ILE 160 N -3.03 2.71 -0.05 -0.08 1.01 -0.89 -5.10 121.20 115.77 3kd3 s ILE 160 Ca 0.10 -1.15 0.04 0.00 0.00 0.00 0.00 60.65 59.64 3kd3 s ILE 160 Cb 0.17 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 3kd3 s ILE 160 CO 0.71 0.16 -0.17 -1.81 0.00 0.00 0.00 174.94 173.82 3kd3 s ASP 161 N 1.28 3.76 0.00 3.58 -0.00 -1.26 -4.95 116.67 119.08 3kd3 s ASP 161 Ca -0.01 -0.29 0.00 0.00 -0.00 0.00 0.00 52.55 52.25 3kd3 s ASP 161 Cb -0.17 -0.84 0.00 0.00 -0.00 0.00 0.00 42.92 41.91 3kd3 s ASP 161 CO -0.05 0.31 0.00 0.61 -0.00 0.00 0.00 175.17 176.04 3kd3 n GLY 162 N 2.52 -1.71 3.77 0.21 0.00 -1.26 -4.10 105.19 104.62 3kd3 n GLY 162 Ca -0.17 -1.65 -0.39 0.00 0.00 0.00 0.00 46.02 43.81 3kd3 n GLY 162 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kd3 s GLU 163 N 0.00 3.80 -0.10 1.61 -1.05 -1.26 -4.86 118.70 116.83 3kd3 s GLU 163 Ca 0.00 2.06 -0.00 0.00 -0.15 0.00 0.00 54.97 56.87 3kd3 s GLU 163 Cb 0.00 -2.60 0.02 0.00 -0.44 0.00 0.00 34.13 31.12 3kd3 s GLU 163 CO 0.00 -0.60 -0.06 0.08 0.95 0.00 0.00 175.26 175.63 3kd3 s VAL 164 N -1.34 0.92 -0.27 1.83 1.01 -1.26 -0.52 120.40 120.77 3kd3 s VAL 164 Ca 0.61 -0.22 -0.09 0.00 0.00 0.00 0.00 61.98 62.27 3kd3 s VAL 164 Cb -0.36 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 3kd3 s VAL 164 CO 0.45 0.35 0.12 -0.63 0.00 0.00 0.00 175.10 175.39 3kd3 s ILE 165 N 1.72 4.66 -0.14 2.22 1.01 -0.31 -0.46 121.20 129.90 3kd3 s ILE 165 Ca 0.04 -0.11 -0.12 0.00 0.00 0.00 0.00 60.65 60.46 3kd3 s ILE 165 Cb -0.13 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 39.07 3kd3 s ILE 165 CO -0.07 0.26 0.26 0.00 0.00 0.00 0.00 174.94 175.39 3kd3 s ALA 166 N 1.66 3.66 -0.11 9.38 0.00 -0.12 -0.42 121.76 135.81 3kd3 s ALA 166 Ca 0.06 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.55 3kd3 s ALA 166 Cb -0.16 -2.29 0.02 0.00 0.00 0.00 0.00 23.12 20.69 3kd3 s ALA 166 CO 0.06 0.24 -0.14 0.42 0.00 0.00 0.00 175.76 176.34 3kd3 s ILE 167 N 0.01 1.39 0.00 0.00 1.01 0.99 -0.82 121.20 123.78 3kd3 s ILE 167 Ca 0.16 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.24 3kd3 s ILE 167 Cb -0.13 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 41.05 3kd3 s ILE 167 CO 0.04 0.42 0.00 0.61 0.00 0.00 0.00 174.94 176.01 3kd3 n GLY 168 N 4.32 0.04 0.34 6.18 0.00 -1.03 -1.94 105.19 113.10 3kd3 n GLY 168 Ca -0.18 -0.92 0.11 0.00 0.00 0.00 0.00 46.02 45.03 3kd3 n GLY 168 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kd3 n ASP 169 N 0.00 1.65 -4.68 1.61 5.75 -1.25 -0.91 116.55 118.72 3kd3 n ASP 169 Ca 0.00 -1.30 -0.25 0.00 -0.01 0.00 0.00 54.79 53.24 3kd3 n ASP 169 Cb 0.00 0.57 -0.08 0.00 -1.03 0.00 0.00 41.12 40.58 3kd3 n ASP 169 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3kd3 s GLY 170 N -2.63 2.18 0.45 6.12 0.00 -1.26 -4.80 107.32 107.38 3kd3 s GLY 170 Ca 0.16 -2.03 0.14 0.00 0.00 0.00 0.00 44.72 43.00 3kd3 s GLY 170 CO 0.65 -1.91 2.00 -1.82 0.00 0.00 0.00 173.10 172.02 3kd3 h TYR 171 N 1.65 0.01 0.00 1.90 3.20 -1.91 -1.60 116.97 120.23 3kd3 h TYR 171 Ca -0.43 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.38 3kd3 h TYR 171 Cb 1.25 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.51 3kd3 h TYR 171 CO 0.67 0.17 -0.28 1.79 -1.64 0.00 0.00 178.16 178.88 3kd3 h THR 172 N 0.01 0.82 -0.03 1.81 1.35 -1.95 -0.61 112.91 114.31 3kd3 h THR 172 Ca 0.00 -1.11 -0.06 0.00 -0.55 0.00 0.00 66.41 64.70 3kd3 h THR 172 Cb 0.30 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 3kd3 h THR 172 CO 0.02 0.27 -0.20 0.44 -0.25 0.00 0.00 175.52 175.81 3kd3 h ASP 173 N 0.00 0.23 -0.85 5.36 3.32 -1.69 -3.24 116.42 119.56 3kd3 h ASP 173 Ca -0.00 -0.68 0.13 0.00 0.02 0.00 0.00 57.03 56.50 3kd3 h ASP 173 Cb 0.65 -0.07 -0.09 0.00 0.22 0.00 0.00 39.33 40.05 3kd3 h ASP 173 CO 0.04 0.87 0.45 0.22 -1.72 0.00 0.00 179.24 179.09 3kd3 h TYR 174 N -0.40 0.79 -0.82 4.55 3.20 -1.10 -2.09 116.97 121.10 3kd3 h TYR 174 Ca -0.02 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.01 3kd3 h TYR 174 Cb 0.87 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.86 3kd3 h TYR 174 CO 0.15 0.22 0.54 1.96 -1.64 0.00 0.00 178.16 179.39 3kd3 h GLN 175 N 0.67 0.65 -0.92 1.82 4.20 -1.14 -0.72 115.11 119.67 3kd3 h GLN 175 Ca 0.45 -0.04 0.11 0.00 0.06 0.00 0.00 58.65 59.23 3kd3 h GLN 175 Cb 0.59 -0.15 -0.08 0.00 0.30 0.00 0.00 27.48 28.14 3kd3 h GLN 175 CO -0.34 0.43 0.56 -0.07 -0.67 0.00 0.00 178.83 178.74 3kd3 h LEU 176 N 0.67 0.80 -0.10 1.46 3.38 -1.42 -1.33 115.31 118.78 3kd3 h LEU 176 Ca 0.39 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.37 3kd3 h LEU 176 Cb 0.59 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3kd3 h LEU 176 CO -0.16 0.44 -0.10 0.22 0.09 0.00 0.00 178.44 178.92 3kd3 h TYR 177 N 0.90 0.30 -0.93 1.13 3.20 -1.26 0.15 116.97 120.46 3kd3 h TYR 177 Ca 0.45 -0.09 0.14 0.00 3.14 0.00 0.00 58.73 62.38 3kd3 h TYR 177 Cb 0.44 -0.06 -0.09 0.00 1.54 0.00 0.00 36.73 38.55 3kd3 h TYR 177 CO -0.03 0.67 0.54 1.49 -1.64 0.00 0.00 178.16 179.19 3kd3 h GLU 178 N -0.16 0.76 0.00 1.82 4.81 -0.94 -0.86 114.58 120.02 3kd3 h GLU 178 Ca 0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3kd3 h GLU 178 Cb 0.62 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3kd3 h GLU 178 CO 0.03 0.50 -0.16 1.63 -0.73 0.00 0.00 179.01 180.28 3kd3 n LYS 179 N -4.76 0.14 -0.45 1.92 4.76 -0.53 -4.93 118.16 114.32 3kd3 n LYS 179 Ca 0.19 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.72 3kd3 n LYS 179 Cb 0.43 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 3kd3 n LYS 179 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kd3 n GLY 180 N 1.40 0.77 0.18 0.72 0.00 -0.33 -4.97 105.19 102.97 3kd3 n GLY 180 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 3kd3 n GLY 180 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kd3 h TYR 181 N 0.00 0.76 -2.89 1.61 0.05 -1.25 -3.42 116.97 111.83 3kd3 h TYR 181 Ca 0.00 -0.40 -0.67 0.00 0.05 0.00 0.00 58.73 57.72 3kd3 h TYR 181 Cb 0.00 -0.09 -0.10 0.00 1.01 0.00 0.00 36.73 37.55 3kd3 h TYR 181 CO 0.00 1.21 -0.52 0.00 -1.05 0.00 0.00 178.16 177.80 3kd3 s ALA 182 N -3.38 3.68 -0.48 3.88 0.00 -0.40 -4.69 121.76 120.38 3kd3 s ALA 182 Ca -0.07 -0.69 0.24 0.00 0.00 0.00 0.00 51.96 51.43 3kd3 s ALA 182 Cb 0.09 -1.84 0.39 0.00 0.00 0.00 0.00 23.12 21.75 3kd3 s ALA 182 CO 0.88 0.57 1.57 1.79 0.00 0.00 0.00 175.76 180.57 3kd3 h THR 183 N 4.11 0.00 -2.75 0.00 1.35 -1.03 -3.38 112.91 111.21 3kd3 h THR 183 Ca -0.52 -0.88 -0.11 0.00 -0.55 0.00 0.00 66.41 64.34 3kd3 h THR 183 Cb 1.21 1.81 -0.23 0.00 -1.73 0.00 0.00 68.15 69.22 3kd3 h THR 183 CO 0.58 0.00 -0.21 -0.75 -0.25 0.00 0.00 175.52 174.90 3kd3 s LYS 184 N -3.21 0.57 -0.12 4.72 2.20 -1.15 -5.03 119.74 117.73 3kd3 s LYS 184 Ca 0.07 0.37 0.03 0.00 -0.36 0.00 0.00 55.97 56.08 3kd3 s LYS 184 Cb 0.07 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.67 3kd3 s LYS 184 CO 0.67 -0.11 -0.22 0.12 -0.36 0.00 0.00 175.35 175.46 3kd3 s PHE 185 N -0.25 2.64 -0.24 4.03 5.36 -1.26 -0.95 117.98 127.31 3kd3 s PHE 185 Ca -0.04 -1.14 -0.03 0.00 -0.96 0.00 0.00 56.93 54.76 3kd3 s PHE 185 Cb -0.03 -1.78 0.01 0.00 -0.34 0.00 0.00 43.02 40.88 3kd3 s PHE 185 CO 0.02 -0.49 -0.04 0.42 -1.46 0.00 0.00 175.22 173.68 3kd3 s ILE 186 N 0.57 3.24 -0.08 3.12 1.01 -0.00 -4.27 121.20 124.78 3kd3 s ILE 186 Ca -0.13 -0.72 -0.30 0.00 0.00 0.00 0.00 60.65 59.51 3kd3 s ILE 186 Cb -0.17 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 3kd3 s ILE 186 CO 0.04 0.30 1.17 0.00 0.00 0.00 0.00 174.94 176.45 3kd3 s ALA 187 N 1.42 3.50 0.13 9.38 0.00 -0.29 -2.46 121.76 133.44 3kd3 s ALA 187 Ca 0.03 0.55 0.04 0.00 0.00 0.00 0.00 51.96 52.59 3kd3 s ALA 187 Cb -0.15 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 3kd3 s ALA 187 CO -0.03 -0.78 0.10 -0.47 0.00 0.00 0.00 175.76 174.57 3kd3 s TYR 188 N 2.33 3.13 0.00 0.00 5.04 -0.09 -0.58 117.35 127.19 3kd3 s TYR 188 Ca 0.54 0.01 0.00 0.00 -2.44 0.00 0.00 57.07 55.18 3kd3 s TYR 188 Cb -0.23 -1.54 0.00 0.00 0.35 0.00 0.00 41.96 40.54 3kd3 s TYR 188 CO 0.20 0.52 0.00 -1.91 -1.34 0.00 0.00 175.55 173.02 3kd3 n GLU 190 N -0.00 0.00 -0.01 4.97 2.13 -1.25 -3.88 120.64 122.60 3kd3 n GLU 190 Ca -0.09 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.84 3kd3 n GLU 190 Cb 0.53 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 32.09 3kd3 n GLU 190 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3kd3 n HIS 191 N 0.00 0.00 -3.62 4.31 8.25 -1.26 -4.97 115.22 117.94 3kd3 n HIS 191 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 3kd3 n HIS 191 Cb 0.00 -0.41 -0.07 0.00 1.12 0.00 0.00 29.99 30.63 3kd3 n HIS 191 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3kd3 s ILE 192 N -3.35 0.02 -0.39 1.59 2.07 -1.26 -5.07 121.20 114.81 3kd3 s ILE 192 Ca -0.06 -0.20 -0.02 0.00 -1.41 0.00 0.00 60.65 58.96 3kd3 s ILE 192 Cb 0.13 -0.85 0.10 0.00 0.13 0.00 0.00 42.46 41.97 3kd3 s ILE 192 CO 0.84 -0.11 0.16 -1.61 -1.91 0.00 0.00 174.94 172.31 3kd3 s GLU 193 N -1.36 1.96 -0.60 3.50 0.41 -1.26 -5.03 118.70 116.32 3kd3 s GLU 193 Ca -0.11 -1.78 -0.15 0.00 -0.41 0.00 0.00 54.97 52.52 3kd3 s GLU 193 Cb -0.02 -3.49 0.15 0.00 -1.78 0.00 0.00 34.13 28.99 3kd3 s GLU 193 CO 0.07 -1.01 0.54 1.03 -0.49 0.00 0.00 175.26 175.40 3kd3 s ARG 194 N 1.11 3.07 0.23 1.61 0.52 -1.26 -4.95 118.95 119.28 3kd3 s ARG 194 Ca 0.07 -1.89 -0.07 0.00 -0.52 0.00 0.00 55.73 53.32 3kd3 s ARG 194 Cb -0.22 -4.29 0.29 0.00 0.52 0.00 0.00 34.95 31.25 3kd3 s ARG 194 CO -0.05 -1.31 1.83 0.93 0.02 0.00 0.00 175.30 176.73 3kd3 h GLU 195 N 8.59 0.80 -0.87 3.54 4.39 -1.98 -0.03 114.58 129.02 3kd3 h GLU 195 Ca -0.20 -0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.50 3kd3 h GLU 195 Cb 1.08 -0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 29.50 3kd3 h GLU 195 CO 0.96 0.53 0.56 -0.22 -1.16 0.00 0.00 179.01 179.68 3kd3 h LYS 196 N 0.83 1.02 0.09 2.33 3.64 -1.92 -0.23 116.57 122.32 3kd3 h LYS 196 Ca 0.34 -0.06 -0.26 0.00 -1.27 0.00 0.00 60.65 59.40 3kd3 h LYS 196 Cb 0.18 -0.23 0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3kd3 h LYS 196 CO -0.18 0.68 -1.07 0.28 -2.27 0.00 0.00 179.45 176.89 3kd3 h VAL 197 N 1.05 1.33 -0.64 2.00 2.07 -1.63 -3.01 116.25 117.42 3kd3 h VAL 197 Ca 0.36 -2.37 0.09 0.00 0.82 0.00 0.00 66.70 65.59 3kd3 h VAL 197 Cb 0.07 2.70 -0.07 0.00 -1.52 0.00 0.00 31.29 32.47 3kd3 h VAL 197 CO -0.14 0.71 0.29 0.40 0.02 0.00 0.00 177.57 178.85 3kd3 h ILE 198 N 0.16 0.83 0.00 4.57 2.04 -0.82 -1.74 117.51 122.55 3kd3 h ILE 198 Ca -0.16 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 3kd3 h ILE 198 Cb 1.76 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 3kd3 h ILE 198 CO 0.21 0.09 -0.13 0.78 0.00 0.00 0.00 178.15 179.10 3kd3 h ASN 199 N 0.51 0.00 1.60 1.72 2.35 -1.00 -1.90 115.58 118.87 3kd3 h ASN 199 Ca 0.31 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.06 3kd3 h ASN 199 Cb 0.34 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 3kd3 h ASN 199 CO -0.27 0.13 -0.40 -0.07 -1.65 0.00 0.00 177.43 175.17 3kd3 h LEU 200 N 0.00 0.00 -9.79 1.61 3.38 -1.20 -3.47 115.31 105.83 3kd3 h LEU 200 Ca -0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 3kd3 h LEU 200 Cb 0.31 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 3kd3 h LEU 200 CO 0.02 0.04 -0.21 -0.94 0.09 0.00 0.00 178.44 177.44 3kd3 s SER 201 N -5.93 6.71 0.16 -0.43 1.04 -0.71 -4.99 113.70 109.55 3kd3 s SER 201 Ca 0.04 0.88 0.21 0.00 0.48 0.00 0.00 55.95 57.57 3kd3 s SER 201 Cb 0.07 -2.21 -0.05 0.00 0.10 0.00 0.00 66.02 63.92 3kd3 s SER 201 CO 0.72 0.19 0.95 1.17 0.98 0.00 0.00 173.24 177.25 3kd3 n LYS 202 N 1.07 0.61 -4.80 4.02 4.81 -1.26 -4.88 118.16 117.73 3kd3 n LYS 202 Ca -0.09 0.11 -0.27 0.00 -0.87 0.00 0.00 58.31 57.19 3kd3 n LYS 202 Cb 0.52 -1.80 -0.17 0.00 0.02 0.00 0.00 35.03 33.61 3kd3 n LYS 202 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3kd3 s TYR 203 N -3.29 1.88 -0.04 5.64 2.02 -1.26 -5.10 117.35 117.19 3kd3 s TYR 203 Ca -0.02 -0.74 0.01 0.00 -0.37 0.00 0.00 57.07 55.95 3kd3 s TYR 203 Cb 0.10 -1.32 0.02 0.00 -0.40 0.00 0.00 41.96 40.36 3kd3 s TYR 203 CO 0.80 -0.34 -0.03 0.08 -1.57 0.00 0.00 175.55 174.50 3kd3 s VAL 204 N 0.57 0.40 -0.02 0.71 1.01 -1.26 -1.14 120.40 120.67 3kd3 s VAL 204 Ca -0.16 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 61.86 3kd3 s VAL 204 Cb -0.17 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 3kd3 s VAL 204 CO 0.05 0.20 -0.25 0.00 0.00 0.00 0.00 175.10 175.10 3kd3 s ALA 205 N 0.99 2.11 -0.13 5.51 0.00 0.26 -4.95 121.76 125.54 3kd3 s ALA 205 Ca -0.10 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 50.83 3kd3 s ALA 205 Cb -0.14 -0.53 0.13 0.00 0.00 0.00 0.00 23.12 22.58 3kd3 s ALA 205 CO -0.01 0.52 1.08 0.54 0.00 0.00 0.00 175.76 177.89 3kd3 n ARG 206 N 2.44 2.52 -3.77 0.00 1.74 -1.26 -3.86 116.66 114.47 3kd3 n ARG 206 Ca -0.16 -1.90 -0.03 0.00 -0.77 0.00 0.00 57.85 55.00 3kd3 n ARG 206 Cb 0.51 -1.20 -0.00 0.00 -1.02 0.00 0.00 32.46 30.75 3kd3 n ARG 206 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kd3 s ASN 207 N -1.55 -0.11 0.40 0.55 2.20 -1.26 -4.06 114.94 111.12 3kd3 s ASN 207 Ca 0.13 -0.44 0.20 0.00 -0.94 0.00 0.00 52.86 51.80 3kd3 s ASN 207 Cb 0.10 0.45 0.83 0.00 -2.00 0.00 0.00 41.25 40.63 3kd3 s ASN 207 CO 0.03 -0.84 1.81 -0.37 -2.94 0.00 0.00 177.10 174.78 3kd3 h VAL 208 N 2.00 0.86 -0.06 3.54 -1.51 -1.95 -1.87 116.25 117.26 3kd3 h VAL 208 Ca -0.26 -1.30 -0.01 0.00 -1.23 0.00 0.00 66.70 63.91 3kd3 h VAL 208 Cb 1.22 1.79 -0.00 0.00 -2.13 0.00 0.00 31.29 32.17 3kd3 h VAL 208 CO 0.29 0.32 0.00 0.00 -1.23 0.00 0.00 177.57 176.95 3kd3 h ALA 209 N 1.68 0.09 -0.96 5.19 0.00 -1.97 -0.13 119.26 123.16 3kd3 h ALA 209 Ca -0.00 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3kd3 h ALA 209 Cb 0.76 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 3kd3 h ALA 209 CO 0.04 -0.25 0.63 0.93 0.00 0.00 0.00 179.25 180.60 3kd3 h GLU 210 N -0.16 1.18 -0.05 0.00 5.08 -1.92 0.03 114.58 118.74 3kd3 h GLU 210 Ca 0.02 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3kd3 h GLU 210 Cb 0.32 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3kd3 h GLU 210 CO 0.00 0.78 0.02 1.25 -1.00 0.00 0.00 179.01 180.07 3kd3 h LEU 211 N 1.22 0.06 -1.06 1.33 5.85 -1.22 -2.77 115.31 118.73 3kd3 h LEU 211 Ca 0.38 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 59.05 3kd3 h LEU 211 Cb -0.01 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 40.94 3kd3 h LEU 211 CO -0.12 0.17 0.63 0.00 -0.34 0.00 0.00 178.44 178.78 3kd3 h ALA 212 N 0.90 1.46 0.00 1.25 0.00 -0.69 -1.98 119.26 120.20 3kd3 h ALA 212 Ca 0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3kd3 h ALA 212 Cb 0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3kd3 h ALA 212 CO -0.00 0.39 -0.11 0.66 0.00 0.00 0.00 179.25 180.19 3kd3 h SER 213 N 1.11 0.00 1.07 0.00 4.64 -0.78 -2.10 113.55 117.49 3kd3 h SER 213 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3kd3 h SER 213 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3kd3 h SER 213 CO -0.17 0.11 -0.51 -0.07 -0.87 0.00 0.00 176.83 175.32 3kd3 h LEU 214 N 0.00 0.00 -1.45 5.97 3.38 -1.09 -3.51 115.31 118.62 3kd3 h LEU 214 Ca -0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3kd3 h LEU 214 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3kd3 h LEU 214 CO 0.01 0.07 0.00 -0.38 0.09 0.00 0.00 178.44 178.23