#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 -0.16 -0.14 -5.58 0.01 -0.24 -1.47 114.94 107.37 3kd3 s ASN 3 Ca 0.00 0.28 0.02 0.00 -0.71 0.00 0.00 52.86 52.44 3kd3 s ASN 3 Cb 0.00 0.36 0.00 0.00 0.41 0.00 0.00 41.25 42.02 3kd3 s ASN 3 CO 0.00 -0.13 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.64 3kd3 s ILE 4 N -0.20 2.38 -0.25 0.60 -1.09 -0.25 -0.93 121.20 121.47 3kd3 s ILE 4 Ca -0.03 -0.88 -0.07 0.00 -2.23 0.00 0.00 60.65 57.44 3kd3 s ILE 4 Cb -0.03 -1.97 -0.03 0.00 -1.58 0.00 0.00 42.46 38.86 3kd3 s ILE 4 CO 0.01 0.54 0.07 -0.63 -1.23 0.00 0.00 174.94 173.69 3kd3 s ILE 5 N 0.68 4.30 -0.02 2.92 -1.09 0.43 -0.97 121.20 127.45 3kd3 s ILE 5 Ca -0.09 -0.19 -0.02 0.00 -2.23 0.00 0.00 60.65 58.12 3kd3 s ILE 5 Cb -0.16 -3.02 -0.04 0.00 -1.58 0.00 0.00 42.46 37.66 3kd3 s ILE 5 CO 0.02 0.33 0.11 -0.36 -1.23 0.00 0.00 174.94 173.81 3kd3 s PHE 6 N 1.61 3.39 0.66 3.97 0.08 -0.49 -0.48 117.98 126.72 3kd3 s PHE 6 Ca 0.06 0.28 -0.11 0.00 0.12 0.00 0.00 56.93 57.28 3kd3 s PHE 6 Cb -0.15 -1.78 -0.01 0.00 -0.57 0.00 0.00 43.02 40.51 3kd3 s PHE 6 CO 0.04 0.59 1.05 0.34 -0.10 0.00 0.00 175.22 177.14 3kd3 s ASP 7 N -1.70 5.77 0.00 1.36 2.15 -0.87 -2.21 116.67 121.17 3kd3 s ASP 7 Ca 0.23 1.21 0.00 0.00 0.43 0.00 0.00 52.55 54.42 3kd3 s ASP 7 Cb -0.12 -2.13 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 3kd3 s ASP 7 CO 0.14 -1.13 0.00 0.33 -0.17 0.00 0.00 175.17 174.34 3kd3 n PHE 8 N -2.87 0.00 -1.66 -5.34 7.35 -1.26 -2.93 117.46 110.75 3kd3 n PHE 8 Ca 0.06 0.00 -0.48 0.00 -0.76 0.00 0.00 57.45 56.27 3kd3 n PHE 8 Cb 0.56 -0.21 -0.05 0.00 0.35 0.00 0.00 39.48 40.13 3kd3 n PHE 8 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 3kd3 n ASP 9 N -2.18 2.94 -0.75 -2.13 8.00 -1.26 -1.22 116.55 119.95 3kd3 n ASP 9 Ca 0.00 1.06 -0.09 0.00 0.71 0.00 0.00 54.79 56.46 3kd3 n ASP 9 Cb 0.00 -1.36 -0.04 0.00 -0.02 0.00 0.00 41.12 39.70 3kd3 n ASP 9 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3kd3 n SER 10 N 4.32 -5.48 0.00 -2.24 7.64 -0.80 -4.69 113.62 112.38 3kd3 n SER 10 Ca 0.19 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.31 3kd3 n SER 10 Cb 0.26 -3.97 0.00 0.00 -1.01 0.00 0.00 64.21 59.50 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 -2.10 0.00 0.05 0.44 -1.04 -0.77 -4.62 114.28 106.24 3kd3 n THR 11 Ca -0.09 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.84 3kd3 n THR 11 Cb 0.56 -0.47 0.08 0.00 -1.82 0.00 0.00 70.33 68.69 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 0.43 -9.70 -4.42 3.38 -1.04 -3.43 115.31 100.53 3kd3 h LEU 12 Ca 0.00 -0.24 -0.55 0.00 0.09 0.00 0.00 57.88 57.17 3kd3 h LEU 12 Cb 0.00 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.54 3kd3 h LEU 12 CO 0.00 0.93 -0.58 0.27 0.09 0.00 0.00 178.44 179.15 3kd3 s ILE 13 N -3.83 3.22 -0.86 1.22 -4.36 -0.91 -1.09 121.20 114.58 3kd3 s ILE 13 Ca -0.05 -1.78 0.27 0.00 -0.26 0.00 0.00 60.65 58.82 3kd3 s ILE 13 Cb 0.11 -2.94 0.20 0.00 1.25 0.00 0.00 42.46 41.09 3kd3 s ILE 13 CO 0.82 -0.26 1.73 0.29 0.24 0.00 0.00 174.94 177.75 3kd3 n LYS 14 N -1.04 0.13 -4.29 0.37 5.02 -0.33 -2.51 118.16 115.51 3kd3 n LYS 14 Ca -0.05 0.08 -0.18 0.00 -2.02 0.00 0.00 58.31 56.15 3kd3 n LYS 14 Cb 0.60 -1.63 -0.09 0.00 -0.02 0.00 0.00 35.03 33.90 3kd3 n LYS 14 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3kd3 s LYS 15 N -3.06 1.59 -0.24 1.97 1.02 -1.26 -4.74 119.74 115.02 3kd3 s LYS 15 Ca 0.11 -1.90 -0.23 0.00 0.02 0.00 0.00 55.97 53.97 3kd3 s LYS 15 Cb 0.16 0.17 -0.01 0.00 -0.52 0.00 0.00 37.83 37.62 3kd3 s LYS 15 CO 0.60 -0.53 0.76 -1.21 -0.92 0.00 0.00 175.35 174.05 3kd3 s GLU 16 N -3.73 4.16 0.18 1.68 0.41 -1.26 -1.90 118.70 118.25 3kd3 s GLU 16 Ca 0.38 0.80 -0.09 0.00 -0.41 0.00 0.00 54.97 55.66 3kd3 s GLU 16 Cb 0.04 -3.64 0.08 0.00 -1.78 0.00 0.00 34.13 28.83 3kd3 s GLU 16 CO 0.21 -0.47 1.62 0.66 -0.49 0.00 0.00 175.26 176.79 3kd3 h SER 17 N 7.74 1.02 -0.40 -0.19 4.64 -1.96 -2.78 113.55 121.61 3kd3 h SER 17 Ca -0.25 -0.32 0.01 0.00 -0.47 0.00 0.00 61.79 60.76 3kd3 h SER 17 Cb 1.11 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.90 3kd3 h SER 17 CO 0.84 1.11 0.25 0.25 -0.87 0.00 0.00 176.83 178.41 3kd3 h LEU 18 N 0.92 0.43 -0.74 5.97 5.85 -1.99 0.30 115.31 126.05 3kd3 h LEU 18 Ca 0.15 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.90 3kd3 h LEU 18 Cb 0.64 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 3kd3 h LEU 18 CO 0.04 0.31 0.45 -0.33 -0.34 0.00 0.00 178.44 178.57 3kd3 h GLU 19 N 0.51 0.84 -0.22 1.25 3.07 -1.95 -0.77 114.58 117.31 3kd3 h GLU 19 Ca 0.15 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 58.84 3kd3 h GLU 19 Cb -0.03 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.68 3kd3 h GLU 19 CO -0.05 0.56 -0.36 -0.07 -1.40 0.00 0.00 179.01 177.68 3kd3 h LEU 20 N 0.87 0.51 -0.57 1.33 3.38 -1.06 -1.63 115.31 118.14 3kd3 h LEU 20 Ca 0.31 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3kd3 h LEU 20 Cb 0.07 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3kd3 h LEU 20 CO -0.13 0.84 0.19 0.40 0.09 0.00 0.00 178.44 179.83 3kd3 h ILE 21 N 0.42 1.24 0.00 1.22 2.04 0.01 -3.17 117.51 119.26 3kd3 h ILE 21 Ca 0.04 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.12 3kd3 h ILE 21 Cb 0.83 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3kd3 h ILE 21 CO 0.07 0.30 -0.15 -0.07 0.00 0.00 0.00 178.15 178.29 3kd3 h LEU 22 N 0.80 0.00 -0.61 1.44 3.38 -1.05 -3.38 115.31 115.89 3kd3 h LEU 22 Ca 0.19 -0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.27 3kd3 h LEU 22 Cb 0.26 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 3kd3 h LEU 22 CO -0.01 0.00 0.13 -0.08 0.09 0.00 0.00 178.44 178.57 3kd3 h GLU 23 N 0.00 0.25 0.00 1.13 4.81 -1.26 0.11 114.58 119.62 3kd3 h GLU 23 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3kd3 h GLU 23 Cb 0.98 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.30 3kd3 h GLU 23 CO 0.00 0.17 0.00 -2.30 -0.73 0.00 0.00 179.01 176.15 3kd3 n PRO 24 N -5.13 0.09 -0.01 0.92 -0.02 -1.26 -2.12 135.00 127.48 3kd3 n PRO 24 Ca 0.09 0.32 0.10 0.00 -2.02 0.00 0.00 63.50 61.99 3kd3 n PRO 24 Cb 0.33 -1.66 -0.14 0.00 -0.02 0.00 0.00 33.50 32.00 3kd3 n PRO 24 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3kd3 n ILE 25 N -1.83 0.00 -1.84 4.25 5.41 -0.04 -4.39 119.36 120.92 3kd3 n ILE 25 Ca 0.03 -0.28 0.04 0.00 1.00 0.00 0.00 62.75 63.54 3kd3 n ILE 25 Cb 0.21 0.45 0.16 0.00 -0.71 0.00 0.00 39.64 39.74 3kd3 n ILE 25 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3kd3 n LEU 26 N -1.91 2.42 0.27 1.39 4.77 -0.79 -4.80 117.00 118.35 3kd3 n LEU 26 Ca -0.00 -3.51 0.11 0.00 -0.03 0.00 0.00 56.01 52.57 3kd3 n LEU 26 Cb 0.45 -0.39 0.74 0.00 -2.33 0.00 0.00 43.42 41.89 3kd3 n LEU 26 CO 0.44 1.24 1.07 1.56 -1.33 0.00 0.00 177.39 180.36 3kd3 h GLN 27 N 1.08 0.00 -0.02 3.23 1.08 -1.75 -0.96 115.11 117.77 3kd3 h GLN 27 Ca -0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3kd3 h GLN 27 Cb 1.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 3kd3 h GLN 27 CO 0.06 0.02 0.00 1.63 -0.95 0.00 0.00 178.83 179.59 3kd3 n LYS 28 N -4.22 1.92 -3.12 1.46 5.02 -1.26 -4.51 118.16 113.45 3kd3 n LYS 28 Ca -0.03 -1.34 -0.21 0.00 -2.02 0.00 0.00 58.31 54.71 3kd3 n LYS 28 Cb 0.11 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.61 3kd3 n LYS 28 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3kd3 n SER 29 N 0.63 1.91 -0.12 4.39 7.64 -0.36 -4.94 113.62 122.76 3kd3 n SER 29 Ca 0.17 -3.20 0.18 0.00 1.01 0.00 0.00 58.87 57.03 3kd3 n SER 29 Cb 0.45 -0.60 0.57 0.00 -1.01 0.00 0.00 64.21 63.62 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 3.07 0.26 -0.15 1.43 0.13 -1.79 -0.96 132.00 133.99 3kd3 h PRO 30 Ca 0.11 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 65.17 3kd3 h PRO 30 Cb 0.82 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 3kd3 h PRO 30 CO 0.60 0.17 -0.15 0.00 -0.23 0.00 0.00 178.00 178.39 3kd3 h ALA 31 N 1.66 1.49 -0.60 -0.56 0.00 -1.92 -2.20 119.26 117.14 3kd3 h ALA 31 Ca 0.35 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3kd3 h ALA 31 Cb 0.98 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3kd3 h ALA 31 CO -0.08 0.36 0.01 0.87 0.00 0.00 0.00 179.25 180.41 3kd3 h LYS 32 N 0.22 1.05 -0.50 0.00 1.57 -1.56 -0.72 116.57 116.63 3kd3 h LYS 32 Ca 0.04 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 3kd3 h LYS 32 Cb 0.40 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3kd3 h LYS 32 CO 0.02 1.03 0.23 -0.07 -0.57 0.00 0.00 179.45 180.09 3kd3 h LEU 33 N 0.95 0.66 -0.90 2.94 3.38 -1.40 0.04 115.31 120.98 3kd3 h LEU 33 Ca 0.17 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3kd3 h LEU 33 Cb 0.55 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3kd3 h LEU 33 CO 0.03 0.61 0.55 0.11 0.09 0.00 0.00 178.44 179.83 3kd3 h LYS 34 N 0.66 1.23 -0.32 1.13 1.79 -1.25 -1.80 116.57 118.01 3kd3 h LYS 34 Ca 0.17 -0.11 -0.02 0.00 -2.18 0.00 0.00 60.65 58.52 3kd3 h LYS 34 Cb 0.13 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 3kd3 h LYS 34 CO -0.02 0.86 0.13 1.49 -1.08 0.00 0.00 179.45 180.83 3kd3 h GLU 35 N 1.24 0.47 -0.80 3.15 4.81 -0.73 -1.58 114.58 121.14 3kd3 h GLU 35 Ca 0.33 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.51 3kd3 h GLU 35 Cb -0.06 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.19 3kd3 h GLU 35 CO -0.06 0.46 0.50 0.82 -0.73 0.00 0.00 179.01 180.01 3kd3 h ILE 36 N 0.37 1.10 -0.56 2.32 2.04 -0.79 -1.04 117.51 120.95 3kd3 h ILE 36 Ca 0.11 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3kd3 h ILE 36 Cb 0.17 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.27 3kd3 h ILE 36 CO -0.01 0.18 0.33 -0.08 0.00 0.00 0.00 178.15 178.56 3kd3 h GLU 37 N 0.97 0.77 -0.25 2.37 4.81 -1.12 0.10 114.58 122.22 3kd3 h GLU 37 Ca 0.33 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3kd3 h GLU 37 Cb 0.05 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3kd3 h GLU 37 CO -0.13 0.57 0.16 -0.92 -0.73 0.00 0.00 179.01 177.96 3kd3 h TYR 38 N 0.75 0.32 -0.62 0.92 3.20 -0.76 -1.03 116.97 119.76 3kd3 h TYR 38 Ca 0.20 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.99 3kd3 h TYR 38 Cb 0.01 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 3kd3 h TYR 38 CO -0.02 0.22 0.07 0.82 -1.64 0.00 0.00 178.16 177.61 3kd3 h ILE 39 N 0.33 1.26 -0.37 1.81 1.08 -0.96 -0.60 117.51 120.07 3kd3 h ILE 39 Ca 0.09 -1.05 0.08 0.00 -0.39 0.00 0.00 64.86 63.59 3kd3 h ILE 39 Cb -0.02 0.74 -0.07 0.00 -3.07 0.00 0.00 36.82 34.39 3kd3 h ILE 39 CO -0.02 0.39 -0.13 0.74 -0.69 0.00 0.00 178.15 178.44 3kd3 h THR 40 N 0.94 0.56 -0.66 -0.27 2.02 -0.68 -1.90 112.91 112.92 3kd3 h THR 40 Ca 0.18 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.31 3kd3 h THR 40 Cb 0.47 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 3kd3 h THR 40 CO 0.02 0.00 0.19 0.78 0.37 0.00 0.00 175.52 176.88 3kd3 h ASN 41 N -0.05 0.95 -0.60 4.18 2.35 -0.76 -2.53 115.58 119.11 3kd3 h ASN 41 Ca 0.18 -0.17 0.06 0.00 -0.55 0.00 0.00 56.30 55.82 3kd3 h ASN 41 Cb 0.33 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.40 3kd3 h ASN 41 CO -0.41 0.89 0.31 -0.07 -1.65 0.00 0.00 177.43 176.51 3kd3 h LEU 42 N 0.98 0.43 -2.17 1.61 3.38 -0.71 -1.22 115.31 117.62 3kd3 h LEU 42 Ca 0.21 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3kd3 h LEU 42 Cb 0.29 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3kd3 h LEU 42 CO -0.01 0.28 0.00 0.61 0.09 0.00 0.00 178.44 179.41 3kd3 n GLY 43 N -1.28 0.93 0.00 0.83 0.00 -0.75 -1.35 105.19 103.58 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 0.89 0.00 -1.07 1.61 6.02 -0.46 -4.47 117.38 119.90 3kd3 n GLN 45 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 3kd3 n GLN 45 Cb 0.22 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.47 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 0.57 0.10 1.08 0.00 -1.12 -4.86 105.19 100.96 3kd3 n GLY 46 Ca 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.62 1.61 3.32 -1.43 -3.46 116.42 111.84 3kd3 h ASP 47 Ca -0.05 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.75 3kd3 h ASP 47 Cb 0.21 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.61 3kd3 h ASP 47 CO 0.07 0.79 -0.68 0.27 -1.72 0.00 0.00 179.24 177.97 3kd3 s ILE 48 N -3.05 0.64 0.67 0.35 -4.36 -1.22 -5.01 121.20 109.22 3kd3 s ILE 48 Ca 0.01 -1.96 -0.15 0.00 -0.26 0.00 0.00 60.65 58.29 3kd3 s ILE 48 Cb 0.10 -1.93 0.01 0.00 1.25 0.00 0.00 42.46 41.89 3kd3 s ILE 48 CO 0.79 -0.64 1.14 -0.94 0.24 0.00 0.00 174.94 175.52 3kd3 s SER 49 N -3.11 4.90 0.24 4.36 1.04 -1.26 -4.43 113.70 115.44 3kd3 s SER 49 Ca 0.19 2.11 -0.06 0.00 0.48 0.00 0.00 55.95 58.66 3kd3 s SER 49 Cb 0.06 -2.56 0.22 0.00 0.10 0.00 0.00 66.02 63.84 3kd3 s SER 49 CO 0.00 -1.77 1.84 0.15 0.98 0.00 0.00 173.24 174.44 3kd3 h PHE 50 N 0.02 1.21 -0.60 5.02 3.57 -1.88 -1.02 116.94 123.25 3kd3 h PHE 50 Ca -0.47 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 60.97 3kd3 h PHE 50 Cb 1.26 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 3kd3 h PHE 50 CO 0.52 0.86 0.31 -0.09 -2.23 0.00 0.00 178.31 177.68 3kd3 h ARG 51 N 1.21 0.85 -0.68 1.11 9.65 -1.70 -0.22 114.38 124.60 3kd3 h ARG 51 Ca 0.30 -0.11 -0.07 0.00 -1.10 0.00 0.00 59.98 59.00 3kd3 h ARG 51 Cb 0.08 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.47 3kd3 h ARG 51 CO -0.04 0.67 0.17 -0.44 2.80 0.00 0.00 179.97 183.12 3kd3 h ASP 52 N 0.82 1.02 0.06 -3.80 3.32 -1.83 -0.93 116.42 115.09 3kd3 h ASP 52 Ca 0.21 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 57.05 3kd3 h ASP 52 Cb 0.08 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3kd3 h ASP 52 CO -0.03 0.98 -0.09 -1.28 -1.72 0.00 0.00 179.24 177.10 3kd3 h SER 53 N 1.03 -0.23 -0.21 6.45 0.87 -0.64 -0.75 113.55 120.06 3kd3 h SER 53 Ca 0.22 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 3kd3 h SER 53 Cb 0.36 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 3kd3 h SER 53 CO 0.00 -0.13 0.10 0.25 -0.53 0.00 0.00 176.83 176.52 3kd3 h LEU 54 N -0.18 0.28 -0.61 2.23 5.85 -0.81 -1.63 115.31 120.44 3kd3 h LEU 54 Ca 0.01 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3kd3 h LEU 54 Cb 0.19 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3kd3 h LEU 54 CO -0.04 0.33 0.29 1.56 -0.34 0.00 0.00 178.44 180.25 3kd3 h GLN 55 N 0.21 0.88 -0.49 1.25 1.08 -1.15 -1.47 115.11 115.42 3kd3 h GLN 55 Ca 0.07 -0.13 -0.06 0.00 -1.45 0.00 0.00 58.65 57.08 3kd3 h GLN 55 Cb 0.13 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 3kd3 h GLN 55 CO -0.01 0.70 0.06 -0.22 -0.95 0.00 0.00 178.83 178.42 3kd3 h LYS 56 N 0.83 0.82 -0.49 1.46 1.63 -0.98 -1.53 116.57 118.32 3kd3 h LYS 56 Ca 0.21 -0.23 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 3kd3 h LYS 56 Cb 0.11 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 3kd3 h LYS 56 CO -0.03 0.83 0.23 0.00 -3.45 0.00 0.00 179.45 177.03 3kd3 h ARG 57 N 0.69 0.71 -0.21 1.90 3.08 -1.06 -0.68 114.38 118.81 3kd3 h ARG 57 Ca 0.15 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 3kd3 h ARG 57 Cb 0.42 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3kd3 h ARG 57 CO 0.01 0.60 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.33 3kd3 h LEU 58 N 0.64 0.31 -0.84 3.04 3.38 -1.23 -1.66 115.31 118.96 3kd3 h LEU 58 Ca 0.17 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3kd3 h LEU 58 Cb 0.13 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3kd3 h LEU 58 CO -0.02 0.46 0.05 0.00 0.09 0.00 0.00 178.44 179.02 3kd3 h ALA 59 N 1.58 1.04 0.04 1.53 0.00 -0.76 -3.00 119.26 119.69 3kd3 h ALA 59 Ca 0.06 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3kd3 h ALA 59 Cb 0.39 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kd3 h ALA 59 CO 0.02 0.61 -0.02 0.82 0.00 0.00 0.00 179.25 180.68 3kd3 h ILE 60 N 0.86 1.05 -1.92 0.00 2.04 -0.54 -3.45 117.51 115.55 3kd3 h ILE 60 Ca 0.17 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.80 3kd3 h ILE 60 Cb 0.44 1.24 -0.22 0.00 -0.74 0.00 0.00 36.82 37.54 3kd3 h ILE 60 CO 0.02 0.07 0.05 0.00 0.00 0.00 0.00 178.15 178.29 3kd3 s ALA 61 N -5.70 -1.97 -0.02 1.87 0.00 -0.68 -5.10 121.76 110.15 3kd3 s ALA 61 Ca -0.14 2.38 -0.00 0.00 0.00 0.00 0.00 51.96 54.20 3kd3 s ALA 61 Cb 0.05 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 3kd3 s ALA 61 CO 0.66 -0.46 0.04 -1.12 0.00 0.00 0.00 175.76 174.88 3kd3 s SER 62 N 1.79 5.42 0.96 0.00 0.01 -1.14 -4.17 113.70 116.56 3kd3 s SER 62 Ca -0.09 0.10 -0.13 0.00 1.31 0.00 0.00 55.95 57.13 3kd3 s SER 62 Cb -0.06 -1.51 0.17 0.00 0.21 0.00 0.00 66.02 64.83 3kd3 s SER 62 CO -0.19 0.30 1.15 -2.16 0.41 0.00 0.00 173.24 172.74 3kd3 s PRO 63 N -1.51 0.75 0.30 12.44 0.04 -1.26 -4.90 135.00 140.86 3kd3 s PRO 63 Ca 0.20 0.19 0.09 0.00 0.04 0.00 0.00 61.00 61.52 3kd3 s PRO 63 Cb -0.12 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 3kd3 s PRO 63 CO 0.10 -2.44 0.07 0.95 0.04 0.00 0.00 177.00 175.72 3kd3 s THR 64 N -3.29 3.33 0.20 1.26 -4.23 -1.26 -3.67 115.64 107.99 3kd3 s THR 64 Ca 0.66 -1.79 -0.10 0.00 -1.18 0.00 0.00 61.69 59.27 3kd3 s THR 64 Cb -0.13 -2.94 0.12 0.00 1.34 0.00 0.00 72.50 70.89 3kd3 s THR 64 CO 0.54 -0.29 1.81 0.50 -0.54 0.00 0.00 174.62 176.64 3kd3 h LYS 65 N 1.72 0.64 -0.01 3.99 3.64 -1.27 -2.24 116.57 123.04 3kd3 h LYS 65 Ca -0.44 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 58.80 3kd3 h LYS 65 Cb 1.25 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 3kd3 h LYS 65 CO 0.62 0.42 -0.48 0.37 -2.27 0.00 0.00 179.45 178.11 3kd3 h GLN 66 N 0.66 0.01 -0.08 1.90 5.75 -1.94 -2.56 115.11 118.86 3kd3 h GLN 66 Ca 0.27 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.73 3kd3 h GLN 66 Cb 0.15 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 3kd3 h GLN 66 CO -0.16 0.49 -0.11 0.66 -2.65 0.00 0.00 178.83 177.06 3kd3 h SER 67 N 0.01 0.10 -0.09 -0.69 4.64 -1.77 -0.46 113.55 115.29 3kd3 h SER 67 Ca -0.00 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.17 3kd3 h SER 67 Cb 0.86 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.93 3kd3 h SER 67 CO 0.06 0.23 -0.46 0.40 -0.87 0.00 0.00 176.83 176.20 3kd3 h ILE 68 N 0.11 1.39 -0.98 0.95 2.04 -1.26 -1.74 117.51 118.01 3kd3 h ILE 68 Ca 0.02 -1.81 0.01 0.00 1.00 0.00 0.00 64.86 64.08 3kd3 h ILE 68 Cb 0.27 2.26 -0.05 0.00 -0.74 0.00 0.00 36.82 38.55 3kd3 h ILE 68 CO 0.02 0.54 0.64 0.50 0.00 0.00 0.00 178.15 179.85 3kd3 h LYS 69 N 0.03 1.30 -0.74 2.37 1.63 -1.17 -1.71 116.57 118.27 3kd3 h LYS 69 Ca -0.03 -0.08 -0.05 0.00 -0.85 0.00 0.00 60.65 59.64 3kd3 h LYS 69 Cb 1.11 -0.29 -0.03 0.00 -0.60 0.00 0.00 32.23 32.41 3kd3 h LYS 69 CO 0.09 0.87 0.28 0.93 -3.45 0.00 0.00 179.45 178.17 3kd3 h GLU 70 N 1.34 1.12 0.21 1.90 4.39 -1.02 -0.77 114.58 121.75 3kd3 h GLU 70 Ca 0.36 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 3kd3 h GLU 70 Cb -0.14 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.32 3kd3 h GLU 70 CO -0.08 0.92 -0.14 0.35 -1.16 0.00 0.00 179.01 178.91 3kd3 h PHE 71 N 1.08 -0.36 -0.11 4.33 3.57 -0.84 -1.69 116.94 122.92 3kd3 h PHE 71 Ca 0.25 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.61 3kd3 h PHE 71 Cb 0.23 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3kd3 h PHE 71 CO 0.02 -0.22 -0.51 0.66 -2.23 0.00 0.00 178.31 176.03 3kd3 h SER 72 N -0.35 0.32 -0.93 0.41 4.64 -1.14 0.11 113.55 116.61 3kd3 h SER 72 Ca -0.02 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3kd3 h SER 72 Cb 0.29 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.25 3kd3 h SER 72 CO 0.01 0.78 0.58 0.78 -0.87 0.00 0.00 176.83 178.11 3kd3 h ASN 73 N 0.23 1.10 0.10 4.97 2.35 -1.08 -1.35 115.58 121.90 3kd3 h ASN 73 Ca 0.01 -0.06 -0.19 0.00 -0.55 0.00 0.00 56.30 55.51 3kd3 h ASN 73 Cb 0.98 -0.28 0.02 0.00 0.05 0.00 0.00 38.32 39.10 3kd3 h ASN 73 CO 0.08 0.83 -0.80 0.50 -1.65 0.00 0.00 177.43 176.40 3kd3 h LYS 74 N 1.28 0.36 -0.00 0.81 3.64 -0.84 -3.40 116.57 118.41 3kd3 h LYS 74 Ca 0.34 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3kd3 h LYS 74 Cb -0.08 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3kd3 h LYS 74 CO -0.07 1.22 -0.80 0.66 -2.27 0.00 0.00 179.45 178.19 3kd3 n TYR 75 N -4.12 0.00 -3.53 1.91 4.01 0.33 -4.81 117.16 110.95 3kd3 n TYR 75 Ca -0.13 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.23 3kd3 n TYR 75 Cb 0.80 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.73 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 4.69 2.27 0.28 0.00 -0.04 -1.26 -4.84 135.00 136.10 3kd3 n PRO 77 Ca -0.12 -1.88 0.13 0.00 -0.04 0.00 0.00 63.50 61.59 3kd3 n PRO 77 Cb 0.52 -1.46 0.79 0.00 -0.04 0.00 0.00 33.50 33.31 3kd3 n PRO 77 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 3kd3 h ASN 78 N 4.58 0.00 0.81 3.54 -1.07 -1.74 -1.58 115.58 120.12 3kd3 h ASN 78 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3kd3 h ASN 78 Cb 0.98 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.23 3kd3 h ASN 78 CO 0.00 0.06 0.00 -0.11 0.07 0.00 0.00 177.43 177.45 3kd3 n LEU 79 N -3.85 0.00 -4.76 6.14 7.94 -0.24 -4.86 117.00 117.37 3kd3 n LEU 79 Ca -0.02 0.47 -0.38 0.00 -1.11 0.00 0.00 56.01 54.96 3kd3 n LEU 79 Cb 0.15 -0.47 0.03 0.00 0.53 0.00 0.00 43.42 43.66 3kd3 n LEU 79 CO 0.30 -0.06 0.96 -0.76 -1.11 0.00 0.00 177.39 176.72 3kd3 s LEU 80 N -2.93 3.94 0.27 -1.96 1.43 -0.60 -1.19 118.68 117.64 3kd3 s LEU 80 Ca 0.14 2.69 -0.30 0.00 -1.03 0.00 0.00 54.13 55.62 3kd3 s LEU 80 Cb 0.17 -4.20 -0.13 0.00 0.03 0.00 0.00 46.19 42.05 3kd3 s LEU 80 CO 0.45 -1.35 1.39 0.41 0.23 0.00 0.00 176.35 177.49 3kd3 n THR 81 N -0.75 1.23 -1.66 5.49 -1.04 -0.25 -4.74 114.28 112.56 3kd3 n THR 81 Ca 0.09 -0.31 -0.48 0.00 -2.04 0.00 0.00 64.05 61.31 3kd3 n THR 81 Cb 0.45 -1.55 -0.05 0.00 -1.82 0.00 0.00 70.33 67.37 3kd3 n THR 81 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3kd3 n ASP 82 N 1.80 2.89 0.00 8.00 8.00 -1.26 -1.79 116.55 134.19 3kd3 n ASP 82 Ca 0.09 1.07 0.00 0.00 0.71 0.00 0.00 54.79 56.66 3kd3 n ASP 82 Cb 0.33 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 3kd3 n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kd3 n GLY 83 N 3.48 0.99 0.16 0.44 0.00 -1.26 -4.58 105.19 104.41 3kd3 n GLY 83 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 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 1.41 -0.37 -0.61 6.09 -1.71 -2.14 117.51 120.18 3kd3 h ILE 84 Ca 0.00 -2.09 -0.00 0.00 -1.37 0.00 0.00 64.86 61.40 3kd3 h ILE 84 Cb 0.00 2.08 -0.02 0.00 0.47 0.00 0.00 36.82 39.35 3kd3 h ILE 84 CO 0.00 0.61 0.22 0.50 -3.07 0.00 0.00 178.15 176.42 3kd3 h LYS 85 N 0.16 0.50 -0.71 2.19 3.64 -1.91 -0.58 116.57 119.86 3kd3 h LYS 85 Ca -0.01 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 3kd3 h LYS 85 Cb 1.17 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 3kd3 h LYS 85 CO 0.10 0.37 0.19 1.49 -2.27 0.00 0.00 179.45 179.33 3kd3 h GLU 86 N 0.48 1.13 -0.28 1.90 4.81 -1.95 -2.05 114.58 118.62 3kd3 h GLU 86 Ca 0.13 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3kd3 h GLU 86 Cb 0.00 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3kd3 h GLU 86 CO -0.02 0.98 0.15 1.25 -0.73 0.00 0.00 179.01 180.64 3kd3 h LEU 87 N 1.06 0.34 -0.68 1.64 5.85 -1.06 0.30 115.31 122.77 3kd3 h LEU 87 Ca 0.22 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.91 3kd3 h LEU 87 Cb 0.35 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 3kd3 h LEU 87 CO -0.00 0.32 0.40 0.58 -0.34 0.00 0.00 178.44 179.40 3kd3 h VAL 88 N 0.33 1.02 -0.62 1.05 2.07 -0.98 0.96 116.25 120.08 3kd3 h VAL 88 Ca 0.10 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 3kd3 h VAL 88 Cb 0.06 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 3kd3 h VAL 88 CO -0.02 0.14 0.15 -0.61 0.02 0.00 0.00 177.57 177.25 3kd3 h GLN 89 N 0.75 0.99 -0.82 1.57 5.75 -1.08 -1.28 115.11 120.99 3kd3 h GLN 89 Ca 0.29 -0.24 0.01 0.00 -0.15 0.00 0.00 58.65 58.56 3kd3 h GLN 89 Cb 0.12 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.50 3kd3 h GLN 89 CO -0.15 0.90 0.54 -0.44 -2.65 0.00 0.00 178.83 177.03 3kd3 h ASP 90 N 0.90 0.95 -0.57 -0.69 3.32 -0.29 0.31 116.42 120.35 3kd3 h ASP 90 Ca 0.19 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 3kd3 h ASP 90 Cb 0.35 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3kd3 h ASP 90 CO 0.00 0.69 0.09 -0.07 -1.72 0.00 0.00 179.24 178.23 3kd3 h LEU 91 N 1.12 0.91 -0.81 1.55 3.38 -0.49 -1.79 115.31 119.17 3kd3 h LEU 91 Ca 0.30 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3kd3 h LEU 91 Cb -0.13 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.36 3kd3 h LEU 91 CO -0.06 0.94 0.05 0.11 0.09 0.00 0.00 178.44 179.57 3kd3 h LYS 92 N 0.84 0.94 -0.00 1.13 1.57 -0.81 -1.63 116.57 118.61 3kd3 h LYS 92 Ca 0.17 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 3kd3 h LYS 92 Cb 0.42 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3kd3 h LYS 92 CO 0.01 0.90 -0.22 -0.91 -0.57 0.00 0.00 179.45 178.67 3kd3 h ASN 93 N 0.88 0.00 -0.03 0.86 2.35 -0.62 -1.56 115.58 117.47 3kd3 h ASN 93 Ca 0.17 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3kd3 h ASN 93 Cb 0.45 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 3kd3 h ASN 93 CO 0.02 0.22 0.00 0.29 -1.65 0.00 0.00 177.43 176.31 3kd3 n LYS 94 N -4.28 1.30 -0.12 0.81 5.02 -0.70 -4.92 118.16 115.27 3kd3 n LYS 94 Ca -0.02 -0.44 0.00 0.00 -2.02 0.00 0.00 58.31 55.82 3kd3 n LYS 94 Cb 0.27 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 3kd3 n LYS 94 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kd3 n GLY 95 N 1.04 0.93 3.73 0.72 0.00 -0.58 -5.08 105.19 105.94 3kd3 n GLY 95 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 3.73 0.15 1.61 0.08 -0.69 -4.55 117.98 116.30 3kd3 s PHE 96 Ca 0.00 1.62 -0.30 0.00 0.12 0.00 0.00 56.93 58.37 3kd3 s PHE 96 Cb 0.00 -2.97 -0.07 0.00 -0.57 0.00 0.00 43.02 39.41 3kd3 s PHE 96 CO 0.00 0.17 0.97 -2.00 -0.10 0.00 0.00 175.22 174.25 3kd3 s GLU 97 N 0.29 4.73 -0.10 0.44 2.56 -0.54 -4.17 118.70 121.91 3kd3 s GLU 97 Ca 0.44 1.48 0.00 0.00 0.00 0.00 0.00 54.97 56.90 3kd3 s GLU 97 Cb -0.21 -3.35 -0.02 0.00 2.00 0.00 0.00 34.13 32.55 3kd3 s GLU 97 CO 0.26 0.27 -0.09 0.42 -0.56 0.00 0.00 175.26 175.56 3kd3 s ILE 98 N -0.30 3.46 0.08 -3.70 -1.09 -1.26 -1.08 121.20 117.31 3kd3 s ILE 98 Ca 0.46 -0.54 0.04 0.00 -2.23 0.00 0.00 60.65 58.37 3kd3 s ILE 98 Cb -0.24 -2.44 -0.03 0.00 -1.58 0.00 0.00 42.46 38.16 3kd3 s ILE 98 CO 0.31 0.55 -0.11 0.26 -1.23 0.00 0.00 174.94 174.73 3kd3 s TRP 99 N -0.22 1.02 -0.19 3.97 0.52 -0.14 -4.65 118.94 119.26 3kd3 s TRP 99 Ca 0.02 -0.58 0.01 0.00 0.02 0.00 0.00 56.10 55.57 3kd3 s TRP 99 Cb -0.13 -0.57 0.03 0.00 -1.15 0.00 0.00 33.47 31.65 3kd3 s TRP 99 CO 0.03 -0.01 -0.15 0.42 0.02 0.00 0.00 176.95 177.26 3kd3 s ILE 100 N -1.97 1.88 -0.21 2.03 1.01 -0.51 -1.40 121.20 122.03 3kd3 s ILE 100 Ca 0.01 -0.98 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 3kd3 s ILE 100 Cb -0.06 -1.80 -0.00 0.00 0.01 0.00 0.00 42.46 40.61 3kd3 s ILE 100 CO 0.01 0.37 -0.08 -0.36 0.00 0.00 0.00 174.94 174.87 3kd3 s PHE 101 N 1.33 2.92 0.02 3.97 0.08 -0.94 -0.37 117.98 124.99 3kd3 s PHE 101 Ca 0.02 -1.12 -0.03 0.00 0.12 0.00 0.00 56.93 55.92 3kd3 s PHE 101 Cb -0.15 -2.06 -0.01 0.00 -0.57 0.00 0.00 43.02 40.23 3kd3 s PHE 101 CO -0.10 -0.62 0.04 0.45 -0.10 0.00 0.00 175.22 174.89 3kd3 s SER 102 N 1.43 0.19 0.00 1.36 0.15 -0.69 -4.12 113.70 112.01 3kd3 s SER 102 Ca 0.05 -0.46 0.26 0.00 0.70 0.00 0.00 55.95 56.51 3kd3 s SER 102 Cb -0.14 0.16 1.03 0.00 -1.71 0.00 0.00 66.02 65.36 3kd3 s SER 102 CO -0.06 -0.38 1.73 0.61 1.20 0.00 0.00 173.24 176.34 3kd3 n GLY 103 N 1.31 -0.01 3.94 9.45 0.00 -1.26 -3.88 105.19 114.74 3kd3 n GLY 103 Ca -0.22 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.88 1.75 -0.15 -0.02 0.00 -1.26 -4.69 107.32 101.06 3kd3 s GLY 104 Ca 0.37 -1.26 -0.27 0.00 0.00 0.00 0.00 44.72 43.56 3kd3 s GLY 104 CO 0.32 -0.61 0.92 1.08 0.00 0.00 0.00 173.10 174.81 3kd3 s LEU 105 N -5.58 4.19 0.30 0.66 1.43 -1.26 -1.16 118.68 117.26 3kd3 s LEU 105 Ca 0.69 1.33 0.05 0.00 -1.03 0.00 0.00 54.13 55.17 3kd3 s LEU 105 Cb -0.06 -3.39 0.76 0.00 0.03 0.00 0.00 46.19 43.53 3kd3 s LEU 105 CO 0.49 -0.45 1.69 -1.28 0.23 0.00 0.00 176.35 177.04 3kd3 h SER 106 N 7.25 0.36 0.41 2.29 0.87 -0.95 0.11 113.55 123.88 3kd3 h SER 106 Ca -0.29 0.16 -0.05 0.00 -1.23 0.00 0.00 61.79 60.38 3kd3 h SER 106 Cb 1.13 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 3kd3 h SER 106 CO 0.86 -0.01 -0.22 -0.33 -0.53 0.00 0.00 176.83 176.60 3kd3 h GLU 107 N 0.40 0.00 0.00 2.24 5.08 -1.92 -1.58 114.58 118.80 3kd3 h GLU 107 Ca 0.58 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.87 3kd3 h GLU 107 Cb 1.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3kd3 h GLU 107 CO -0.53 0.22 -0.30 0.66 -1.00 0.00 0.00 179.01 178.05 3kd3 h SER 108 N 0.00 0.00 0.58 1.42 4.64 -1.32 -3.33 113.55 115.53 3kd3 h SER 108 Ca -0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 3kd3 h SER 108 Cb 0.49 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 3kd3 h SER 108 CO 0.03 0.30 -1.40 0.40 -0.87 0.00 0.00 176.83 175.29 3kd3 h ILE 109 N 0.00 1.29 -0.69 0.95 2.04 -1.01 -3.40 117.51 116.68 3kd3 h ILE 109 Ca -0.00 -2.94 0.13 0.00 1.00 0.00 0.00 64.86 63.04 3kd3 h ILE 109 Cb 1.16 2.78 -0.09 0.00 -0.74 0.00 0.00 36.82 39.93 3kd3 h ILE 109 CO 0.04 0.83 0.23 -0.61 0.00 0.00 0.00 178.15 178.63 3kd3 h GLN 110 N 0.05 0.35 -0.03 2.37 4.15 -1.61 0.50 115.11 120.90 3kd3 h GLN 110 Ca -0.19 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.15 3kd3 h GLN 110 Cb 1.97 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 29.57 3kd3 h GLN 110 CO 0.16 0.23 -0.27 -1.35 -1.93 0.00 0.00 178.83 175.67 3kd3 h PRO 111 N 0.36 0.06 -0.07 -2.39 0.11 -1.82 -0.58 132.00 127.68 3kd3 h PRO 111 Ca 0.37 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 66.23 3kd3 h PRO 111 Cb 0.56 -0.01 0.02 0.00 0.11 0.00 0.00 31.00 31.68 3kd3 h PRO 111 CO -0.41 0.33 -0.89 0.74 -0.21 0.00 0.00 178.00 177.57 3kd3 h PHE 112 N 0.05 1.03 -0.42 0.65 0.04 -1.20 -2.07 116.94 115.03 3kd3 h PHE 112 Ca 0.01 -0.51 0.01 0.00 2.80 0.00 0.00 57.97 60.28 3kd3 h PHE 112 Cb 0.51 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 3kd3 h PHE 112 CO 0.00 1.34 0.27 0.00 -0.60 0.00 0.00 178.31 179.32 3kd3 h ALA 113 N 0.46 0.53 -0.41 2.45 0.00 -0.83 -0.77 119.26 120.69 3kd3 h ALA 113 Ca -0.09 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.87 3kd3 h ALA 113 Cb 1.53 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 3kd3 h ALA 113 CO 0.18 -0.03 -0.00 -0.44 0.00 0.00 0.00 179.25 178.95 3kd3 h ASP 114 N 0.55 -0.17 -0.63 0.00 3.32 -1.06 0.11 116.42 118.53 3kd3 h ASP 114 Ca 0.16 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 3kd3 h ASP 114 Cb -0.05 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3kd3 h ASP 114 CO -0.04 -0.05 0.37 0.22 -1.72 0.00 0.00 179.24 178.02 3kd3 h TYR 115 N 0.11 0.86 -0.01 4.55 3.20 -0.95 -2.13 116.97 122.60 3kd3 h TYR 115 Ca 0.20 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3kd3 h TYR 115 Cb 0.29 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.28 3kd3 h TYR 115 CO -0.28 0.59 -0.03 1.28 -1.64 0.00 0.00 178.16 178.08 3kd3 n LEU 116 N -4.39 0.69 -3.71 2.82 4.77 -0.33 -4.91 117.00 111.93 3kd3 n LEU 116 Ca 0.06 -0.19 -0.27 0.00 -0.03 0.00 0.00 56.01 55.58 3kd3 n LEU 116 Cb 0.08 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 3kd3 n LEU 116 CO 0.37 0.12 0.15 0.59 -1.33 0.00 0.00 177.39 177.29 3kd3 n ASN 117 N -0.53 -5.52 -4.69 -1.43 3.02 -0.31 -4.81 115.26 101.00 3kd3 n ASN 117 Ca 0.20 -0.64 -0.38 0.00 -0.03 0.00 0.00 54.58 53.74 3kd3 n ASN 117 Cb 0.24 -4.38 -0.07 0.00 -0.61 0.00 0.00 39.78 34.96 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 -3.28 5.21 0.41 2.41 1.01 -0.13 -5.03 121.20 121.80 3kd3 s ILE 118 Ca 0.60 0.71 -0.27 0.00 0.00 0.00 0.00 60.65 61.70 3kd3 s ILE 118 Cb -0.29 -3.73 -0.10 0.00 0.01 0.00 0.00 42.46 38.36 3kd3 s ILE 118 CO 0.75 0.28 1.47 -2.84 0.00 0.00 0.00 174.94 174.60 3kd3 s PRO 119 N 1.10 3.93 0.45 2.79 0.02 -1.26 -4.26 135.00 137.77 3kd3 s PRO 119 Ca 0.20 2.53 0.11 0.00 0.02 0.00 0.00 61.00 63.85 3kd3 s PRO 119 Cb -0.14 -2.84 1.03 0.00 0.02 0.00 0.00 34.50 32.56 3kd3 s PRO 119 CO 0.08 -0.66 2.10 0.00 -0.33 0.00 0.00 177.00 178.18 3kd3 h ARG 120 N 2.71 0.32 0.00 5.54 3.08 -1.96 -1.26 114.38 122.81 3kd3 h ARG 120 Ca -0.51 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.52 3kd3 h ARG 120 Cb 1.25 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3kd3 h ARG 120 CO 0.63 0.21 0.00 -0.85 -1.07 0.00 0.00 179.97 178.89 3kd3 n GLU 121 N -4.50 0.14 -0.54 0.04 0.00 -1.26 -2.45 120.64 112.06 3kd3 n GLU 121 Ca 0.01 0.11 0.09 0.00 0.00 0.00 0.00 57.16 57.37 3kd3 n GLU 121 Cb 0.07 -1.50 0.34 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 -1.41 4.39 -4.43 -1.84 4.13 -0.47 -4.88 115.26 110.75 3kd3 n ASN 122 Ca 0.07 -2.34 -0.37 0.00 1.68 0.00 0.00 54.58 53.62 3kd3 n ASN 122 Cb 0.22 -0.55 -0.12 0.00 -1.54 0.00 0.00 39.78 37.79 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 -1.69 4.37 -0.38 2.41 1.01 -1.03 -1.42 121.20 124.48 3kd3 s ILE 123 Ca 0.48 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.81 3kd3 s ILE 123 Cb 0.30 -3.15 0.11 0.00 0.01 0.00 0.00 42.46 39.73 3kd3 s ILE 123 CO 0.25 0.19 0.12 -0.36 0.00 0.00 0.00 174.94 175.14 3kd3 s PHE 124 N 1.60 3.05 0.18 3.97 0.08 0.50 -4.99 117.98 122.37 3kd3 s PHE 124 Ca 0.05 -2.72 0.01 0.00 0.12 0.00 0.00 56.93 54.40 3kd3 s PHE 124 Cb -0.16 -2.55 -0.01 0.00 -0.57 0.00 0.00 43.02 39.73 3kd3 s PHE 124 CO 0.04 -0.88 0.20 0.00 -0.10 0.00 0.00 175.22 174.49 3kd3 n ALA 125 N 4.09 0.09 -2.67 5.36 0.00 -1.26 -1.71 120.51 124.41 3kd3 n ALA 125 Ca 0.03 -0.93 -0.43 0.00 0.00 0.00 0.00 53.44 52.11 3kd3 n ALA 125 Cb 0.39 0.75 -0.02 0.00 0.00 0.00 0.00 19.45 20.57 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 -2.67 4.73 0.03 0.00 1.01 -0.31 -4.62 120.40 118.57 3kd3 s VAL 126 Ca 0.18 2.02 -0.05 0.00 0.00 0.00 0.00 61.98 64.13 3kd3 s VAL 126 Cb 0.00 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 3kd3 s VAL 126 CO 0.13 -0.10 0.27 -1.61 0.00 0.00 0.00 175.10 173.78 3kd3 s GLU 127 N 2.72 3.56 0.02 2.72 2.02 -1.26 -0.35 118.70 128.12 3kd3 s GLU 127 Ca 0.45 -0.15 0.05 0.00 0.02 0.00 0.00 54.97 55.35 3kd3 s GLU 127 Cb -0.16 -3.04 -0.02 0.00 0.10 0.00 0.00 34.13 31.01 3kd3 s GLU 127 CO 0.11 0.62 -0.15 0.95 0.02 0.00 0.00 175.26 176.80 3kd3 s THR 128 N -1.38 1.21 -0.12 3.63 -4.23 -1.26 -1.12 115.64 112.36 3kd3 s THR 128 Ca 0.31 -0.90 -0.02 0.00 -1.18 0.00 0.00 61.69 59.90 3kd3 s THR 128 Cb -0.13 -1.06 -0.03 0.00 1.34 0.00 0.00 72.50 72.62 3kd3 s THR 128 CO 0.19 0.15 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.76 3kd3 s ILE 129 N -0.66 3.94 0.04 2.99 -1.09 -0.04 -4.83 121.20 121.55 3kd3 s ILE 129 Ca 0.04 -0.36 0.04 0.00 -2.23 0.00 0.00 60.65 58.14 3kd3 s ILE 129 Cb -0.07 -2.68 -0.04 0.00 -1.58 0.00 0.00 42.46 38.09 3kd3 s ILE 129 CO 0.01 0.54 -0.04 0.26 -1.23 0.00 0.00 174.94 174.48 3kd3 s TRP 130 N -0.16 2.94 1.08 3.97 0.52 -1.26 -1.28 118.94 124.75 3kd3 s TRP 130 Ca 0.03 -0.03 -0.16 0.00 0.02 0.00 0.00 56.10 55.97 3kd3 s TRP 130 Cb -0.13 -1.57 0.23 0.00 -1.15 0.00 0.00 33.47 30.85 3kd3 s TRP 130 CO 0.02 0.43 1.12 -0.80 0.02 0.00 0.00 176.95 177.74 3kd3 s ASN 131 N -1.85 1.93 0.50 2.95 0.02 -0.00 -4.77 114.94 113.72 3kd3 s ASN 131 Ca 0.21 0.86 0.29 0.00 -1.02 0.00 0.00 52.86 53.20 3kd3 s ASN 131 Cb -0.11 -1.30 1.16 0.00 0.02 0.00 0.00 41.25 41.02 3kd3 s ASN 131 CO 0.12 -3.52 1.92 0.77 0.02 0.00 0.00 177.10 176.41 3kd3 h SER 132 N -2.17 0.00 -0.31 -1.22 4.64 -2.00 -1.77 113.55 110.72 3kd3 h SER 132 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3kd3 h SER 132 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3kd3 h SER 132 CO 0.47 0.11 0.00 -0.90 -0.87 0.00 0.00 176.83 175.64 3kd3 n ASP 133 N -3.27 2.08 0.00 4.97 5.68 -1.26 -4.93 116.55 119.82 3kd3 n ASP 133 Ca 0.00 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.41 3kd3 n ASP 133 Cb 0.36 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 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 1.17 1.71 3.77 6.12 0.00 -0.66 -4.94 105.19 112.35 3kd3 n GLY 134 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.25 4.94 0.09 1.61 1.04 -1.26 -0.76 113.70 116.11 3kd3 s SER 135 Ca 0.00 1.98 -0.31 0.00 0.48 0.00 0.00 55.95 58.10 3kd3 s SER 135 Cb 0.00 -2.55 -0.07 0.00 0.10 0.00 0.00 66.02 63.50 3kd3 s SER 135 CO 0.00 -1.74 1.33 0.12 0.98 0.00 0.00 173.24 173.93 3kd3 s PHE 136 N -2.44 3.29 -0.15 5.02 5.36 -1.24 -0.82 117.98 127.00 3kd3 s PHE 136 Ca 0.66 1.06 -0.13 0.00 -0.96 0.00 0.00 56.93 57.55 3kd3 s PHE 136 Cb -0.20 -3.60 -0.04 0.00 -0.34 0.00 0.00 43.02 38.84 3kd3 s PHE 136 CO 0.45 -2.04 -0.25 1.17 -1.46 0.00 0.00 175.22 173.08 3kd3 n LYS 137 N 4.01 0.44 -3.57 10.12 4.81 -0.40 -4.72 118.16 128.85 3kd3 n LYS 137 Ca 0.11 0.30 -0.07 0.00 -0.87 0.00 0.00 58.31 57.77 3kd3 n LYS 137 Cb 0.44 -1.42 -0.02 0.00 0.02 0.00 0.00 35.03 34.05 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 -2.48 1.00 0.49 1.64 -1.05 -1.08 -5.03 118.70 112.19 3kd3 s GLU 138 Ca -0.21 -0.44 -0.18 0.00 -0.15 0.00 0.00 54.97 53.99 3kd3 s GLU 138 Cb 0.03 0.42 -0.09 0.00 -0.44 0.00 0.00 34.13 34.05 3kd3 s GLU 138 CO 0.31 -0.44 0.98 -0.51 0.95 0.00 0.00 175.26 176.55 3kd3 s LEU 139 N -2.65 3.73 -0.38 1.83 1.43 -1.26 -0.86 118.68 120.52 3kd3 s LEU 139 Ca 0.07 1.65 -0.01 0.00 -1.03 0.00 0.00 54.13 54.81 3kd3 s LEU 139 Cb -0.01 -4.52 0.10 0.00 0.03 0.00 0.00 46.19 41.79 3kd3 s LEU 139 CO -0.06 -0.57 0.15 -0.62 0.23 0.00 0.00 176.35 175.48 3kd3 s ASP 140 N -2.70 5.09 -0.27 2.29 -1.08 -0.28 -4.80 116.67 114.93 3kd3 s ASP 140 Ca 0.61 -2.04 0.04 0.00 -0.52 0.00 0.00 52.55 50.64 3kd3 s ASP 140 Cb -0.10 -1.76 0.48 0.00 -1.46 0.00 0.00 42.92 40.07 3kd3 s ASP 140 CO 0.25 -0.48 1.55 -3.20 0.52 0.00 0.00 175.17 173.81 3kd3 n ASN 141 N 4.49 3.70 -0.26 -0.34 5.15 -1.26 -4.12 115.26 122.62 3kd3 n ASN 141 Ca -0.01 -2.97 0.17 0.00 -0.60 0.00 0.00 54.58 51.17 3kd3 n ASN 141 Cb 0.42 -0.70 0.46 0.00 -0.53 0.00 0.00 39.78 39.42 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 1.21 0.50 -0.09 1.20 0.02 -1.96 -1.86 113.55 112.58 3kd3 h SER 142 Ca 0.32 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 3kd3 h SER 142 Cb 2.07 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.56 3kd3 h SER 142 CO 0.64 0.21 0.00 -0.46 -1.14 0.00 0.00 176.83 176.09 3kd3 n ASN 143 N -4.55 2.11 0.00 3.07 0.23 -1.26 -4.95 115.26 109.91 3kd3 n ASN 143 Ca 0.19 -1.72 0.00 0.00 -0.53 0.00 0.00 54.58 52.52 3kd3 n ASN 143 Cb 0.62 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.28 3kd3 n ASN 143 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kd3 n GLY 144 N 1.24 2.02 0.24 4.83 0.00 -0.70 -3.96 105.19 108.87 3kd3 n GLY 144 Ca 0.17 0.00 0.16 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 1.00 0.00 4.61 0.00 -1.82 -1.69 119.26 121.35 3kd3 h ALA 145 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 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 0.00 -0.02 0.00 0.00 0.00 0.00 179.25 179.23 3kd3 h ASP 147 N 0.00 0.00 -4.74 0.00 3.32 -1.70 -3.35 116.42 109.95 3kd3 h ASP 147 Ca -0.00 -0.68 0.27 0.00 0.02 0.00 0.00 57.03 56.64 3kd3 h ASP 147 Cb 0.78 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.17 3kd3 h ASP 147 CO 0.00 1.29 0.79 -0.94 -1.72 0.00 0.00 179.24 178.67 3kd3 s SER 148 N -6.60 -0.13 0.28 6.45 1.04 -1.05 -3.58 113.70 110.11 3kd3 s SER 148 Ca -0.25 -0.05 -0.02 0.00 0.48 0.00 0.00 55.95 56.11 3kd3 s SER 148 Cb 0.03 0.17 0.40 0.00 0.10 0.00 0.00 66.02 66.71 3kd3 s SER 148 CO 0.62 -0.29 1.84 0.11 0.98 0.00 0.00 173.24 176.50 3kd3 h LYS 149 N 2.00 0.88 -0.23 4.02 1.57 -1.84 -2.25 116.57 120.71 3kd3 h LYS 149 Ca -0.16 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.48 3kd3 h LYS 149 Cb 1.18 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 3kd3 h LYS 149 CO 0.25 0.75 0.08 1.25 -0.57 0.00 0.00 179.45 181.21 3kd3 h LEU 150 N 0.85 0.08 -0.23 2.94 5.85 -1.93 0.41 115.31 123.28 3kd3 h LEU 150 Ca 0.19 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 3kd3 h LEU 150 Cb 0.24 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3kd3 h LEU 150 CO -0.01 0.08 0.11 -1.28 -0.34 0.00 0.00 178.44 177.00 3kd3 h SER 151 N 0.18 0.31 -0.69 1.25 0.87 -1.79 -1.08 113.55 112.60 3kd3 h SER 151 Ca 0.10 -0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.54 3kd3 h SER 151 Cb 0.07 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 3kd3 h SER 151 CO -0.11 0.36 0.45 0.00 -0.53 0.00 0.00 176.83 177.00 3kd3 h ALA 152 N 0.96 0.87 -0.40 6.23 0.00 -1.15 -1.70 119.26 124.07 3kd3 h ALA 152 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3kd3 h ALA 152 Cb 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3kd3 h ALA 152 CO -0.01 0.28 0.17 0.35 0.00 0.00 0.00 179.25 180.04 3kd3 h PHE 153 N 0.92 0.59 -0.59 0.00 3.57 -0.01 -1.87 116.94 119.55 3kd3 h PHE 153 Ca 0.25 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 3kd3 h PHE 153 Cb -0.09 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 3kd3 h PHE 153 CO -0.03 0.51 0.29 0.22 -2.23 0.00 0.00 178.31 177.08 3kd3 h ASP 154 N 0.50 0.74 0.20 0.41 3.58 -0.91 0.96 116.42 121.90 3kd3 h ASP 154 Ca 0.13 -0.07 -0.09 0.00 0.42 0.00 0.00 57.03 57.43 3kd3 h ASP 154 Cb 0.16 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 3kd3 h ASP 154 CO -0.01 0.62 -0.34 0.11 -2.88 0.00 0.00 179.24 176.74 3kd3 h LYS 155 N 0.82 0.21 -0.02 0.28 1.57 -1.02 -3.19 116.57 115.22 3kd3 h LYS 155 Ca 0.21 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3kd3 h LYS 155 Cb 0.07 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3kd3 h LYS 155 CO -0.03 0.52 -0.18 0.00 -0.57 0.00 0.00 179.45 179.19 3kd3 n ALA 156 N -2.48 2.91 0.30 3.86 0.00 -0.44 -4.62 120.51 120.05 3kd3 n ALA 156 Ca -0.01 -0.54 0.17 0.00 0.00 0.00 0.00 53.44 53.06 3kd3 n ALA 156 Cb 0.42 -0.99 0.97 0.00 0.00 0.00 0.00 19.45 19.85 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 2.62 0.00 0.00 0.00 2.10 -0.86 -0.28 116.57 120.15 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 0.68 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 3kd3 h LYS 157 CO 0.00 0.03 0.00 0.41 -2.00 0.00 0.00 179.45 177.89 3kd3 n GLY 158 N -0.98 -1.15 0.04 0.07 0.00 -1.26 -2.06 105.19 99.84 3kd3 n GLY 158 Ca -0.02 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.21 3kd3 n GLY 158 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kd3 n LEU 159 N -2.16 0.63 -4.13 0.99 4.77 -0.12 -4.86 117.00 112.11 3kd3 n LEU 159 Ca 0.01 0.07 -0.33 0.00 -0.03 0.00 0.00 56.01 55.74 3kd3 n LEU 159 Cb 0.18 -0.17 -0.15 0.00 -2.33 0.00 0.00 43.42 40.95 3kd3 n LEU 159 CO 0.17 0.03 -0.46 -0.63 -1.33 0.00 0.00 177.39 175.17 3kd3 s ILE 160 N -3.13 2.39 0.06 -0.08 1.01 -0.87 -5.10 121.20 115.47 3kd3 s ILE 160 Ca 0.07 -1.23 0.07 0.00 0.00 0.00 0.00 60.65 59.56 3kd3 s ILE 160 Cb 0.15 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 3kd3 s ILE 160 CO 0.74 0.21 -0.17 -1.81 0.00 0.00 0.00 174.94 173.92 3kd3 s ASP 161 N 1.23 3.93 0.00 3.58 1.01 -1.26 -4.93 116.67 120.23 3kd3 s ASP 161 Ca -0.02 -0.44 0.00 0.00 0.71 0.00 0.00 52.55 52.80 3kd3 s ASP 161 Cb -0.17 -0.64 0.00 0.00 1.01 0.00 0.00 42.92 43.12 3kd3 s ASP 161 CO -0.07 0.23 0.00 0.61 0.21 0.00 0.00 175.17 176.15 3kd3 n GLY 162 N 1.27 -1.06 3.77 0.21 0.00 -1.26 -4.28 105.19 103.85 3kd3 n GLY 162 Ca -0.16 -1.33 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 3kd3 n GLY 162 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kd3 s GLU 163 N 0.00 4.34 -0.09 1.61 0.41 -1.26 -4.91 118.70 118.79 3kd3 s GLU 163 Ca 0.00 1.74 0.00 0.00 -0.41 0.00 0.00 54.97 56.30 3kd3 s GLU 163 Cb 0.00 -2.86 0.02 0.00 -1.78 0.00 0.00 34.13 29.51 3kd3 s GLU 163 CO 0.00 -0.04 -0.07 0.08 -0.49 0.00 0.00 175.26 174.74 3kd3 s VAL 164 N -1.37 0.87 -0.18 2.63 1.01 -1.26 -1.07 120.40 121.02 3kd3 s VAL 164 Ca 0.52 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 3kd3 s VAL 164 Cb -0.29 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 3kd3 s VAL 164 CO 0.37 0.33 -0.05 -0.63 0.00 0.00 0.00 175.10 175.12 3kd3 s ILE 165 N 1.46 3.62 -0.18 2.22 1.01 -0.10 -0.72 121.20 128.52 3kd3 s ILE 165 Ca -0.01 -0.44 -0.09 0.00 0.00 0.00 0.00 60.65 60.12 3kd3 s ILE 165 Cb -0.13 -2.60 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 3kd3 s ILE 165 CO -0.04 0.47 0.13 0.00 0.00 0.00 0.00 174.94 175.49 3kd3 s ALA 166 N 0.77 3.73 -0.13 9.38 0.00 -0.25 -0.43 121.76 134.84 3kd3 s ALA 166 Ca -0.02 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3kd3 s ALA 166 Cb -0.15 -2.10 0.02 0.00 0.00 0.00 0.00 23.12 20.89 3kd3 s ALA 166 CO 0.02 0.29 -0.12 0.42 0.00 0.00 0.00 175.76 176.37 3kd3 s ILE 167 N -0.04 1.37 -0.04 0.00 1.01 0.37 -0.40 121.20 123.49 3kd3 s ILE 167 Ca 0.10 -0.52 -0.30 0.00 0.00 0.00 0.00 60.65 59.93 3kd3 s ILE 167 Cb -0.11 -1.31 0.11 0.00 0.01 0.00 0.00 42.46 41.16 3kd3 s ILE 167 CO -0.00 0.42 1.32 -0.83 0.00 0.00 0.00 174.94 175.85 3kd3 s GLY 168 N 1.45 -0.25 0.00 6.18 0.00 -0.94 -2.04 107.32 111.72 3kd3 s GLY 168 Ca 0.03 0.31 0.23 0.00 0.00 0.00 0.00 44.72 45.28 3kd3 s GLY 168 CO -0.08 3.93 1.10 2.09 0.00 0.00 0.00 173.10 180.13 3kd3 n ASP 169 N -0.86 1.89 -4.56 1.64 5.75 -1.25 -0.44 116.55 118.71 3kd3 n ASP 169 Ca -0.00 -1.44 -0.26 0.00 -0.01 0.00 0.00 54.79 53.08 3kd3 n ASP 169 Cb 0.60 0.51 -0.11 0.00 -1.03 0.00 0.00 41.12 41.09 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 -2.53 2.30 0.45 6.12 0.00 -1.26 -4.81 107.32 107.59 3kd3 s GLY 170 Ca 0.18 -2.17 0.11 0.00 0.00 0.00 0.00 44.72 42.84 3kd3 s GLY 170 CO 0.60 -2.04 2.07 -1.82 0.00 0.00 0.00 173.10 171.91 3kd3 h TYR 171 N 1.94 0.26 0.00 1.90 3.20 -1.91 -1.73 116.97 120.63 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 1.24 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 3kd3 h TYR 171 CO 0.74 0.21 -0.29 1.79 -1.64 0.00 0.00 178.16 178.97 3kd3 h THR 172 N 0.27 0.93 -0.03 1.81 1.35 -1.95 -0.32 112.91 114.97 3kd3 h THR 172 Ca 0.07 -1.09 -0.04 0.00 -0.55 0.00 0.00 66.41 64.80 3kd3 h THR 172 Cb 0.05 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3kd3 h THR 172 CO -0.01 0.28 -0.14 0.44 -0.25 0.00 0.00 175.52 175.84 3kd3 h ASP 173 N 0.00 0.18 -0.94 5.36 3.32 -1.71 -3.25 116.42 119.38 3kd3 h ASP 173 Ca -0.00 -0.65 0.19 0.00 0.02 0.00 0.00 57.03 56.59 3kd3 h ASP 173 Cb 0.62 -0.05 -0.11 0.00 0.22 0.00 0.00 39.33 40.00 3kd3 h ASP 173 CO 0.04 0.80 0.52 0.22 -1.72 0.00 0.00 179.24 179.09 3kd3 h TYR 174 N -0.42 0.90 -0.33 4.55 3.20 -1.10 -1.82 116.97 121.95 3kd3 h TYR 174 Ca -0.01 0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.94 3kd3 h TYR 174 Cb 0.79 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 3kd3 h TYR 174 CO 0.14 0.14 0.22 1.96 -1.64 0.00 0.00 178.16 178.99 3kd3 h GLN 175 N 0.63 0.25 -0.63 1.82 4.20 -1.09 0.05 115.11 120.34 3kd3 h GLN 175 Ca 0.55 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 59.26 3kd3 h GLN 175 Cb 0.91 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.60 3kd3 h GLN 175 CO -0.42 0.16 0.40 -0.07 -0.67 0.00 0.00 178.83 178.24 3kd3 h LEU 176 N 0.26 0.69 -0.14 1.46 3.38 -1.42 -1.10 115.31 118.43 3kd3 h LEU 176 Ca 0.14 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3kd3 h LEU 176 Cb 0.24 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3kd3 h LEU 176 CO -0.03 0.49 -0.18 0.22 0.09 0.00 0.00 178.44 179.04 3kd3 h TYR 177 N 0.82 0.45 -0.86 1.13 3.20 -1.31 -1.80 116.97 118.59 3kd3 h TYR 177 Ca 0.24 -0.14 0.04 0.00 3.14 0.00 0.00 58.73 62.00 3kd3 h TYR 177 Cb -0.06 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.07 3kd3 h TYR 177 CO -0.04 0.79 0.57 1.49 -1.64 0.00 0.00 178.16 179.32 3kd3 h GLU 178 N -0.02 1.03 0.00 1.82 4.22 -0.81 -0.37 114.58 120.44 3kd3 h GLU 178 Ca 0.02 -0.06 -0.10 0.00 0.08 0.00 0.00 59.36 59.29 3kd3 h GLU 178 Cb 0.73 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3kd3 h GLU 178 CO 0.04 0.68 -0.50 -0.22 -2.18 0.00 0.00 179.01 176.83 3kd3 h LYS 179 N 1.06 0.00 0.00 1.92 1.63 -1.27 -3.47 116.57 116.43 3kd3 h LYS 179 Ca 0.35 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.15 3kd3 h LYS 179 Cb 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 3kd3 h LYS 179 CO -0.11 0.50 0.00 0.41 -3.45 0.00 0.00 179.45 176.80 3kd3 n GLY 180 N -0.09 0.96 0.12 5.01 0.00 -0.15 -4.98 105.19 106.07 3kd3 n GLY 180 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 0.28 -3.56 1.61 0.05 -1.66 -3.44 116.97 110.25 3kd3 h TYR 181 Ca 0.00 -0.16 -0.67 0.00 0.05 0.00 0.00 58.73 57.95 3kd3 h TYR 181 Cb 0.00 -0.03 -0.20 0.00 1.01 0.00 0.00 36.73 37.51 3kd3 h TYR 181 CO 0.00 0.98 -0.69 0.00 -1.05 0.00 0.00 178.16 177.40 3kd3 s ALA 182 N -3.17 2.99 -0.07 3.88 0.00 -0.73 -4.66 121.76 120.00 3kd3 s ALA 182 Ca -0.03 -0.87 0.23 0.00 0.00 0.00 0.00 51.96 51.29 3kd3 s ALA 182 Cb 0.10 -1.31 0.64 0.00 0.00 0.00 0.00 23.12 22.56 3kd3 s ALA 182 CO 0.83 0.49 1.71 0.00 0.00 0.00 0.00 175.76 178.79 3kd3 h THR 183 N 4.47 0.43 -2.92 0.00 1.03 -1.22 -3.38 112.91 111.32 3kd3 h THR 183 Ca -0.44 -1.28 -0.14 0.00 -0.01 0.00 0.00 66.41 64.54 3kd3 h THR 183 Cb 1.18 1.94 -0.24 0.00 -1.07 0.00 0.00 68.15 69.96 3kd3 h THR 183 CO 0.55 0.21 -0.31 -0.75 -0.01 0.00 0.00 175.52 175.20 3kd3 s LYS 184 N -3.38 0.43 -0.11 0.00 2.20 -1.24 -5.07 119.74 112.57 3kd3 s LYS 184 Ca 0.03 0.41 0.03 0.00 -0.36 0.00 0.00 55.97 56.08 3kd3 s LYS 184 Cb 0.08 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.61 3kd3 s LYS 184 CO 0.66 -0.06 -0.23 0.12 -0.36 0.00 0.00 175.35 175.48 3kd3 s PHE 185 N 0.02 2.50 -0.28 4.03 5.36 -1.26 -1.09 117.98 127.26 3kd3 s PHE 185 Ca -0.01 -1.09 -0.04 0.00 -0.96 0.00 0.00 56.93 54.83 3kd3 s PHE 185 Cb -0.03 -1.69 0.02 0.00 -0.34 0.00 0.00 43.02 40.99 3kd3 s PHE 185 CO 0.01 -0.46 0.02 0.42 -1.46 0.00 0.00 175.22 173.75 3kd3 s ILE 186 N 0.49 3.45 -0.06 3.12 1.01 0.47 -4.34 121.20 125.34 3kd3 s ILE 186 Ca -0.16 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 59.27 3kd3 s ILE 186 Cb -0.17 -2.81 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 3kd3 s ILE 186 CO 0.06 0.08 1.53 0.00 0.00 0.00 0.00 174.94 176.61 3kd3 s ALA 187 N 1.40 3.63 0.14 9.38 0.00 -0.49 -2.22 121.76 133.60 3kd3 s ALA 187 Ca 0.01 0.85 0.05 0.00 0.00 0.00 0.00 51.96 52.87 3kd3 s ALA 187 Cb -0.17 -3.69 -0.04 0.00 0.00 0.00 0.00 23.12 19.21 3kd3 s ALA 187 CO -0.00 -1.25 0.07 -0.47 0.00 0.00 0.00 175.76 174.10 3kd3 s TYR 188 N 3.56 3.04 0.00 0.00 5.04 0.42 -0.94 117.35 128.48 3kd3 s TYR 188 Ca 0.68 -0.04 0.00 0.00 -2.44 0.00 0.00 57.07 55.27 3kd3 s TYR 188 Cb -0.31 -1.49 0.00 0.00 0.35 0.00 0.00 41.96 40.51 3kd3 s TYR 188 CO 0.26 0.51 0.00 -1.91 -1.34 0.00 0.00 175.55 173.07 3kd3 n GLU 190 N -0.03 0.00 -0.01 4.97 2.13 -1.25 -3.86 120.64 122.59 3kd3 n GLU 190 Ca -0.09 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.82 3kd3 n GLU 190 Cb 0.54 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.12 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 -3.63 4.31 8.25 -1.26 -4.96 115.22 117.93 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 -0.33 -0.07 0.00 1.12 0.00 0.00 29.99 30.71 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 -3.11 0.03 -0.46 1.59 2.07 -1.26 -5.05 121.20 115.01 3kd3 s ILE 192 Ca -0.04 -0.22 -0.02 0.00 -1.41 0.00 0.00 60.65 58.96 3kd3 s ILE 192 Cb 0.12 -0.83 0.12 0.00 0.13 0.00 0.00 42.46 42.00 3kd3 s ILE 192 CO 0.73 -0.12 0.24 -0.70 -1.91 0.00 0.00 174.94 173.18 3kd3 s GLU 193 N -1.32 2.07 -0.73 3.50 2.56 -1.26 -5.04 118.70 118.48 3kd3 s GLU 193 Ca -0.12 -2.03 -0.17 0.00 0.00 0.00 0.00 54.97 52.66 3kd3 s GLU 193 Cb -0.02 -3.57 0.15 0.00 2.00 0.00 0.00 34.13 32.69 3kd3 s GLU 193 CO 0.07 -1.09 0.78 1.03 -0.56 0.00 0.00 175.26 175.49 3kd3 s ARG 194 N 0.78 3.34 0.25 4.30 0.52 -1.26 -4.94 118.95 121.93 3kd3 s ARG 194 Ca 0.11 -1.87 -0.04 0.00 -0.52 0.00 0.00 55.73 53.42 3kd3 s ARG 194 Cb -0.22 -4.45 0.46 0.00 0.52 0.00 0.00 34.95 31.25 3kd3 s ARG 194 CO -0.04 -1.47 1.75 1.49 0.02 0.00 0.00 175.30 177.05 3kd3 h GLU 195 N 8.58 0.50 -0.42 3.54 4.81 -1.98 -1.55 114.58 128.06 3kd3 h GLU 195 Ca -0.07 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 3kd3 h GLU 195 Cb 1.06 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 3kd3 h GLU 195 CO 0.97 0.33 -0.01 0.87 -0.73 0.00 0.00 179.01 180.44 3kd3 h LYS 196 N 0.52 0.68 -0.11 1.92 1.57 -1.92 -1.02 116.57 118.21 3kd3 h LYS 196 Ca 0.42 -0.17 -0.19 0.00 -1.87 0.00 0.00 60.65 58.83 3kd3 h LYS 196 Cb 0.59 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.83 3kd3 h LYS 196 CO -0.37 0.70 -0.68 0.28 -0.57 0.00 0.00 179.45 178.81 3kd3 h VAL 197 N 0.64 1.32 -0.85 0.50 2.07 -1.68 -2.85 116.25 115.41 3kd3 h VAL 197 Ca 0.13 -1.95 -0.02 0.00 0.82 0.00 0.00 66.70 65.69 3kd3 h VAL 197 Cb 0.42 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.30 3kd3 h VAL 197 CO 0.02 0.60 0.47 0.40 0.02 0.00 0.00 177.57 179.07 3kd3 h ILE 198 N 0.31 1.25 -0.70 4.57 2.04 -1.16 -1.79 117.51 122.02 3kd3 h ILE 198 Ca -0.05 -0.61 0.04 0.00 1.00 0.00 0.00 64.86 65.24 3kd3 h ILE 198 Cb 1.33 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 3kd3 h ILE 198 CO 0.14 0.28 0.46 0.78 0.00 0.00 0.00 178.15 179.81 3kd3 h ASN 199 N 1.18 0.69 1.34 1.72 2.35 -1.12 -1.64 115.58 120.11 3kd3 h ASN 199 Ca 0.30 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3kd3 h ASN 199 Cb 0.03 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.24 3kd3 h ASN 199 CO -0.05 0.47 0.00 0.18 -1.65 0.00 0.00 177.43 176.38 3kd3 n LEU 200 N -4.47 0.79 -4.89 1.61 4.77 -0.72 -4.90 117.00 109.19 3kd3 n LEU 200 Ca 0.09 0.59 -0.33 0.00 -0.03 0.00 0.00 56.01 56.34 3kd3 n LEU 200 Cb 0.16 -0.36 -0.05 0.00 -2.33 0.00 0.00 43.42 40.84 3kd3 n LEU 200 CO 0.34 -0.25 -0.17 -0.44 -1.33 0.00 0.00 177.39 175.55 3kd3 s SER 201 N -4.47 6.26 0.10 -1.43 0.01 -0.62 -4.99 113.70 108.55 3kd3 s SER 201 Ca 0.10 0.29 0.23 0.00 1.31 0.00 0.00 55.95 57.87 3kd3 s SER 201 Cb 0.12 -1.93 -0.07 0.00 0.21 0.00 0.00 66.02 64.35 3kd3 s SER 201 CO 0.56 0.23 0.90 1.17 0.41 0.00 0.00 173.24 176.52 3kd3 n LYS 202 N 0.77 0.52 -4.46 12.44 4.81 -1.26 -4.88 118.16 126.09 3kd3 n LYS 202 Ca -0.09 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.06 3kd3 n LYS 202 Cb 0.52 -1.68 -0.17 0.00 0.02 0.00 0.00 35.03 33.73 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 -3.35 2.10 -0.03 5.64 2.02 -1.26 -5.10 117.35 117.36 3kd3 s TYR 203 Ca -0.01 -1.01 0.01 0.00 -0.37 0.00 0.00 57.07 55.69 3kd3 s TYR 203 Cb 0.12 -1.50 0.01 0.00 -0.40 0.00 0.00 41.96 40.20 3kd3 s TYR 203 CO 0.82 -0.51 -0.05 0.08 -1.57 0.00 0.00 175.55 174.32 3kd3 s VAL 204 N 0.99 0.51 -0.00 0.71 1.01 -1.26 -1.39 120.40 120.96 3kd3 s VAL 204 Ca -0.06 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 61.82 3kd3 s VAL 204 Cb -0.15 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 3kd3 s VAL 204 CO -0.02 0.20 -0.18 0.00 0.00 0.00 0.00 175.10 175.10 3kd3 s ALA 205 N 0.60 1.47 -0.05 5.51 0.00 -0.11 -4.95 121.76 124.23 3kd3 s ALA 205 Ca -0.08 -0.80 0.08 0.00 0.00 0.00 0.00 51.96 51.16 3kd3 s ALA 205 Cb -0.11 -0.35 0.12 0.00 0.00 0.00 0.00 23.12 22.78 3kd3 s ALA 205 CO 0.00 0.35 1.02 0.54 0.00 0.00 0.00 175.76 177.67 3kd3 n ARG 206 N 2.49 1.73 -3.79 0.00 1.74 -1.26 -3.90 116.66 113.66 3kd3 n ARG 206 Ca -0.15 -1.82 -0.04 0.00 -0.77 0.00 0.00 57.85 55.07 3kd3 n ARG 206 Cb 0.54 -1.12 -0.01 0.00 -1.02 0.00 0.00 32.46 30.86 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 -1.70 -0.13 0.34 0.55 2.20 -1.26 -3.99 114.94 110.95 3kd3 s ASN 207 Ca 0.13 -0.52 0.07 0.00 -0.94 0.00 0.00 52.86 51.60 3kd3 s ASN 207 Cb 0.12 0.53 0.63 0.00 -2.00 0.00 0.00 41.25 40.53 3kd3 s ASN 207 CO 0.01 -1.01 1.84 0.58 -2.94 0.00 0.00 177.10 175.59 3kd3 h VAL 208 N 2.00 1.22 -0.42 3.54 2.07 -1.96 -1.62 116.25 121.08 3kd3 h VAL 208 Ca -0.25 -0.98 0.03 0.00 0.82 0.00 0.00 66.70 66.33 3kd3 h VAL 208 Cb 1.23 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 3kd3 h VAL 208 CO 0.28 0.31 0.21 0.00 0.02 0.00 0.00 177.57 178.39 3kd3 h ALA 209 N 1.52 0.53 -0.28 1.67 0.00 -1.97 0.15 119.26 120.88 3kd3 h ALA 209 Ca 0.06 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 3kd3 h ALA 209 Cb 0.48 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3kd3 h ALA 209 CO 0.03 -0.15 -0.42 0.93 0.00 0.00 0.00 179.25 179.64 3kd3 h GLU 210 N 0.42 0.68 -0.35 0.00 5.08 -1.89 -2.05 114.58 116.48 3kd3 h GLU 210 Ca 0.18 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 3kd3 h GLU 210 Cb 0.09 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3kd3 h GLU 210 CO -0.13 0.97 0.08 1.25 -1.00 0.00 0.00 179.01 180.19 3kd3 h LEU 211 N 0.55 0.53 -1.17 1.33 5.85 -0.95 -2.72 115.31 118.74 3kd3 h LEU 211 Ca 0.04 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 3kd3 h LEU 211 Cb 0.96 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 3kd3 h LEU 211 CO 0.09 0.63 0.33 0.00 -0.34 0.00 0.00 178.44 179.15 3kd3 h ALA 212 N 0.92 1.36 0.00 1.25 0.00 -0.57 -1.90 119.26 120.32 3kd3 h ALA 212 Ca 0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3kd3 h ALA 212 Cb 0.30 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kd3 h ALA 212 CO 0.00 0.51 -0.16 1.03 0.00 0.00 0.00 179.25 180.63 3kd3 h SER 213 N 0.91 0.00 1.42 0.00 0.87 -1.21 -2.85 113.55 112.70 3kd3 h SER 213 Ca 0.23 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 3kd3 h SER 213 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3kd3 h SER 213 CO -0.03 0.16 -0.39 -0.07 -0.53 0.00 0.00 176.83 175.97 3kd3 h LEU 214 N 0.00 0.00 -1.54 2.23 3.38 -1.04 -3.51 115.31 114.83 3kd3 h LEU 214 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3kd3 h LEU 214 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3kd3 h LEU 214 CO 0.02 0.02 0.00 -0.38 0.09 0.00 0.00 178.44 178.19