#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9v n SER 4 N 0.00 0.81 -0.25 0.00 3.41 -1.26 -3.94 113.62 112.39 3i9v n SER 4 Ca 0.00 -0.61 0.05 0.00 -0.26 0.00 0.00 58.87 58.05 3i9v n SER 4 Cb 0.00 0.25 0.18 0.00 -0.26 0.00 0.00 64.21 64.38 3i9v n SER 4 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3i9v h SER 5 N 0.61 0.19 -0.95 4.04 4.64 -1.98 -0.53 113.55 119.57 3i9v h SER 5 Ca 0.00 0.12 0.30 0.00 -0.47 0.00 0.00 61.79 61.74 3i9v h SER 5 Cb 0.51 0.12 -0.16 0.00 -0.31 0.00 0.00 62.40 62.56 3i9v h SER 5 CO 0.00 0.06 0.33 -0.33 -0.87 0.00 0.00 176.83 176.01 3i9v h GLU 6 N 0.38 0.15 -0.18 4.77 5.08 -1.98 1.04 114.58 123.83 3i9v h GLU 6 Ca 0.41 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.58 3i9v h GLU 6 Cb 0.65 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 3i9v h GLU 6 CO -0.43 0.10 -0.61 -0.09 -1.00 0.00 0.00 179.01 176.97 3i9v h ARG 7 N 0.15 0.63 -0.01 2.33 2.43 -1.38 -1.56 114.38 116.97 3i9v h ARG 7 Ca 0.66 -0.43 -0.16 0.00 -0.81 0.00 0.00 59.98 59.24 3i9v h ARG 7 Cb 1.48 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 31.08 3i9v h ARG 7 CO -0.72 1.05 -0.74 1.49 -1.51 0.00 0.00 179.97 179.54 3i9v h GLU 8 N 0.47 0.08 -0.41 0.20 4.57 -0.03 -0.32 114.58 119.14 3i9v h GLU 8 Ca -0.01 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.06 3i9v h GLU 8 Cb 1.19 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.78 3i9v h GLU 8 CO 0.12 0.78 0.07 1.25 -1.18 0.00 0.00 179.01 180.05 3i9v h LEU 9 N 0.05 0.65 -0.85 1.64 5.85 0.98 -0.42 115.31 123.21 3i9v h LEU 9 Ca -0.02 -0.25 -0.08 0.00 0.84 0.00 0.00 57.88 58.37 3i9v h LEU 9 Cb 1.30 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 3i9v h LEU 9 CO 0.10 0.74 -0.04 1.88 -0.34 0.00 0.00 178.44 180.78 3i9v h TYR 10 N 0.53 0.88 -0.80 1.25 0.05 -1.20 -0.71 116.97 116.96 3i9v h TYR 10 Ca 0.13 -0.14 0.12 0.00 0.05 0.00 0.00 58.73 58.89 3i9v h TYR 10 Cb 0.36 -0.23 -0.08 0.00 1.01 0.00 0.00 36.73 37.78 3i9v h TYR 10 CO 0.02 0.83 0.42 1.49 -1.05 0.00 0.00 178.16 179.87 3i9v h GLU 11 N 0.75 0.63 0.00 4.88 4.81 -0.84 -1.13 114.58 123.68 3i9v h GLU 11 Ca 0.14 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3i9v h GLU 11 Cb 0.51 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 3i9v h GLU 11 CO 0.03 0.42 -0.01 0.00 -0.73 0.00 0.00 179.01 178.72 3i9v h ALA 12 N 1.50 1.00 -0.22 2.92 0.00 -0.15 -2.99 119.26 121.31 3i9v h ALA 12 Ca 0.42 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.19 3i9v h ALA 12 Cb 0.51 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3i9v h ALA 12 CO -0.31 0.01 -0.34 2.35 0.00 0.00 0.00 179.25 180.96 3i9v h TRP 13 N 0.00 0.77 -0.37 0.00 -0.00 0.06 -2.30 115.95 114.11 3i9v h TRP 13 Ca -0.00 -0.26 0.07 0.00 -0.00 0.00 0.00 58.89 58.70 3i9v h TRP 13 Cb 0.74 -0.15 -0.07 0.00 -0.00 0.00 0.00 29.16 29.69 3i9v h TRP 13 CO 0.00 1.00 -0.06 0.28 -0.00 0.00 0.00 178.44 179.66 3i9v h VAL 14 N 0.32 0.66 -0.31 2.65 2.07 -1.23 -1.68 116.25 118.73 3i9v h VAL 14 Ca 0.02 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 3i9v h VAL 14 Cb 0.92 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3i9v h VAL 14 CO 0.08 0.01 -0.02 -0.08 0.02 0.00 0.00 177.57 177.58 3i9v h GLU 15 N 0.03 0.56 -0.69 1.57 4.57 -1.51 -0.07 114.58 119.05 3i9v h GLU 15 Ca 0.18 -0.19 0.10 0.00 -1.18 0.00 0.00 59.36 58.27 3i9v h GLU 15 Cb 0.26 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.73 3i9v h GLU 15 CO -0.35 0.71 0.31 1.25 -1.18 0.00 0.00 179.01 179.75 3i9v h LEU 16 N 0.35 0.38 -1.29 1.64 7.12 -1.31 0.29 115.31 122.49 3i9v h LEU 16 Ca 0.09 0.07 0.04 0.00 0.13 0.00 0.00 57.88 58.21 3i9v h LEU 16 Cb 0.47 0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 40.56 3i9v h LEU 16 CO 0.02 0.21 0.51 -0.07 -0.13 0.00 0.00 178.44 178.98 3i9v h LEU 17 N 0.53 0.79 -0.78 2.25 3.38 -0.81 -1.09 115.31 119.57 3i9v h LEU 17 Ca 0.35 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.28 3i9v h LEU 17 Cb 0.40 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3i9v h LEU 17 CO -0.29 0.53 0.35 -1.28 0.09 0.00 0.00 178.44 177.84 3i9v h SER 18 N 0.91 1.04 -0.14 -0.43 0.87 0.14 -1.38 113.55 114.55 3i9v h SER 18 Ca 0.32 -0.15 -0.13 0.00 -1.23 0.00 0.00 61.79 60.60 3i9v h SER 18 Cb 0.12 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 3i9v h SER 18 CO -0.10 0.90 -0.34 -0.50 -0.53 0.00 0.00 176.83 176.26 3i9v h TRP 19 N 1.11 0.76 -0.06 2.24 6.55 -0.53 -2.35 115.95 123.66 3i9v h TRP 19 Ca 0.26 -0.20 0.01 0.00 0.95 0.00 0.00 58.89 59.91 3i9v h TRP 19 Cb 0.15 -0.17 -0.01 0.00 -0.86 0.00 0.00 29.16 28.28 3i9v h TRP 19 CO 0.01 0.90 0.02 0.52 -1.05 0.00 0.00 178.44 178.85 3i9v h MET 20 N 0.54 0.05 0.00 0.49 2.86 -0.82 0.29 114.93 118.35 3i9v h MET 20 Ca 0.06 -0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.63 3i9v h MET 20 Cb 0.84 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 3i9v h MET 20 CO 0.07 0.03 -0.30 0.00 1.06 0.00 0.00 176.91 177.78 3i9v h ARG 21 N 0.05 0.00 0.32 1.72 3.08 -1.16 -1.05 114.38 117.34 3i9v h ARG 21 Ca 0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3i9v h ARG 21 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3i9v h ARG 21 CO -0.03 0.30 -0.15 1.49 -1.07 0.00 0.00 179.97 180.51 3i9v h GLU 22 N 0.00 -0.41 -0.93 0.04 4.81 -1.18 -2.29 114.58 114.62 3i9v h GLU 22 Ca -0.00 0.03 0.22 0.00 -0.13 0.00 0.00 59.36 59.47 3i9v h GLU 22 Cb 0.61 0.09 -0.12 0.00 0.63 0.00 0.00 28.75 29.97 3i9v h GLU 22 CO 0.04 -0.27 0.48 -0.92 -0.73 0.00 0.00 179.01 177.60 3i9v h TYR 23 N -1.07 0.81 0.61 0.92 5.03 -0.93 0.24 116.97 122.58 3i9v h TYR 23 Ca -0.04 0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.28 3i9v h TYR 23 Cb 0.33 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.39 3i9v h TYR 23 CO 0.00 0.04 -0.41 0.00 -1.32 0.00 0.00 178.16 176.47 3i9v h ALA 24 N 1.69 -1.01 -0.30 1.82 0.00 -1.22 0.19 119.26 120.44 3i9v h ALA 24 Ca 0.58 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 3i9v h ALA 24 Cb 1.05 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 3i9v h ALA 24 CO -0.48 -1.08 0.08 0.37 0.00 0.00 0.00 179.25 178.14 3i9v h GLN 25 N -0.97 0.47 0.00 0.00 -0.00 -1.01 0.08 115.11 113.68 3i9v h GLN 25 Ca -0.07 -0.11 0.01 0.00 -0.00 0.00 0.00 58.65 58.48 3i9v h GLN 25 Cb 0.80 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 28.20 3i9v h GLN 25 CO 0.06 0.53 -0.17 0.00 0.00 0.00 0.00 178.83 179.24 3i9v h ALA 26 N 0.91 -0.65 -0.13 3.38 0.00 -0.37 -1.66 119.26 120.74 3i9v h ALA 26 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3i9v h ALA 26 Cb 0.27 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3i9v h ALA 26 CO -0.00 -0.70 0.00 1.63 0.00 0.00 0.00 179.25 180.18 3i9v n LYS 27 N -3.46 1.53 -3.69 0.00 4.76 0.64 -4.91 118.16 113.04 3i9v n LYS 27 Ca -0.02 -0.57 -0.29 0.00 -2.87 0.00 0.00 58.31 54.55 3i9v n LYS 27 Cb 0.13 -1.35 0.03 0.00 -1.84 0.00 0.00 35.03 32.00 3i9v n LYS 27 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i9v n GLY 28 N 0.46 -1.06 3.00 0.72 0.00 -0.53 -5.00 105.19 102.78 3i9v n GLY 28 Ca 0.05 0.47 -0.16 0.00 0.00 0.00 0.00 46.02 46.38 3i9v n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9v s VAL 29 N -3.33 0.54 0.12 1.61 0.11 -0.10 -5.04 120.40 114.31 3i9v s VAL 29 Ca 0.34 -0.48 -0.33 0.00 -2.93 0.00 0.00 61.98 58.58 3i9v s VAL 29 Cb -0.14 -0.49 -0.12 0.00 -1.53 0.00 0.00 36.38 34.10 3i9v s VAL 29 CO 0.87 0.02 1.72 0.54 -3.33 0.00 0.00 175.10 174.92 3i9v n ARG 30 N 2.56 2.43 -3.82 1.54 5.12 -1.08 -4.49 116.66 118.91 3i9v n ARG 30 Ca -0.15 0.88 -0.35 0.00 -1.93 0.00 0.00 57.85 56.29 3i9v n ARG 30 Cb 0.57 -2.71 -0.09 0.00 -1.16 0.00 0.00 32.46 29.07 3i9v n ARG 30 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3i9v s PHE 31 N 1.94 3.31 -0.12 -1.55 2.19 -1.26 -0.99 117.98 121.50 3i9v s PHE 31 Ca 0.81 0.18 -0.00 0.00 0.33 0.00 0.00 56.93 58.24 3i9v s PHE 31 Cb -0.60 -2.15 0.03 0.00 -1.31 0.00 0.00 43.02 38.98 3i9v s PHE 31 CO 0.39 0.16 -0.07 -2.00 1.83 0.00 0.00 175.22 175.53 3i9v s GLU 32 N 0.56 1.53 -0.15 10.12 2.12 -0.62 -4.96 118.70 127.29 3i9v s GLU 32 Ca 0.06 -0.29 -0.29 0.00 0.36 0.00 0.00 54.97 54.81 3i9v s GLU 32 Cb -0.12 -1.64 -0.04 0.00 0.26 0.00 0.00 34.13 32.58 3i9v s GLU 32 CO 0.00 -0.28 1.78 0.21 -0.54 0.00 0.00 175.26 176.43 3i9v s LYS 33 N 1.70 3.80 -0.07 4.30 2.20 -1.26 -1.91 119.74 128.49 3i9v s LYS 33 Ca 0.05 1.95 -0.06 0.00 -0.36 0.00 0.00 55.97 57.55 3i9v s LYS 33 Cb -0.13 -4.11 -0.28 0.00 -1.51 0.00 0.00 37.83 31.81 3i9v s LYS 33 CO -0.08 -1.31 0.55 1.49 -0.36 0.00 0.00 175.35 175.64 3i9v h GLU 34 N 11.25 0.28 -1.63 4.03 4.57 -0.67 -3.49 114.58 128.92 3i9v h GLU 34 Ca -0.38 -0.48 0.05 0.00 -1.18 0.00 0.00 59.36 57.37 3i9v h GLU 34 Cb 1.18 0.18 -0.24 0.00 -0.16 0.00 0.00 28.75 29.71 3i9v h GLU 34 CO 0.98 1.18 0.45 0.00 -1.18 0.00 0.00 179.01 180.44 3i9v s ALA 35 N -2.58 -1.94 0.39 2.92 0.00 -0.63 -4.94 121.76 114.99 3i9v s ALA 35 Ca -0.17 1.75 -0.03 0.00 0.00 0.00 0.00 51.96 53.51 3i9v s ALA 35 Cb 0.06 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 3i9v s ALA 35 CO 0.81 -0.27 0.65 -0.51 0.00 0.00 0.00 175.76 176.43 3i9v s ASP 36 N -0.30 6.32 -0.04 0.00 1.11 -1.26 -0.17 116.67 122.33 3i9v s ASP 36 Ca 0.00 0.71 -0.30 0.00 0.18 0.00 0.00 52.55 53.15 3i9v s ASP 36 Cb -0.03 -2.15 -0.06 0.00 1.07 0.00 0.00 42.92 41.76 3i9v s ASP 36 CO -0.02 -0.38 1.61 -0.36 1.18 0.00 0.00 175.17 177.20 3i9v s PHE 37 N -2.43 2.15 0.35 4.23 0.40 -1.00 -4.70 117.98 116.98 3i9v s PHE 37 Ca 0.44 0.30 0.35 0.00 -0.60 0.00 0.00 56.93 57.42 3i9v s PHE 37 Cb -0.10 -3.88 1.69 0.00 0.51 0.00 0.00 43.02 41.24 3i9v s PHE 37 CO 0.38 -3.62 2.12 -1.35 0.70 0.00 0.00 175.22 173.45 3i9v h PRO 38 N 9.18 0.00 -0.31 0.24 0.11 -1.96 0.62 132.00 139.88 3i9v h PRO 38 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3i9v h PRO 38 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3i9v h PRO 38 CO 0.95 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 178.38 3i9v n ASP 39 N -3.25 0.31 0.01 -2.05 5.75 -1.26 -0.72 116.55 115.35 3i9v n ASP 39 Ca -0.01 -1.31 0.00 0.00 -0.01 0.00 0.00 54.79 53.46 3i9v n ASP 39 Cb 0.22 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 3i9v n ASP 39 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 3i9v n PHE 40 N -0.18 -0.10 -0.23 2.11 -0.00 0.18 -4.23 117.46 115.01 3i9v n PHE 40 Ca 0.00 0.02 0.03 0.00 -0.00 0.00 0.00 57.45 57.50 3i9v n PHE 40 Cb 0.08 0.09 0.15 0.00 -0.00 0.00 0.00 39.48 39.80 3i9v n PHE 40 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 3i9v h ILE 41 N 0.00 0.68 -0.16 -2.13 2.04 -1.38 -2.88 117.51 113.68 3i9v h ILE 41 Ca 0.00 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3i9v h ILE 41 Cb 0.65 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3i9v h ILE 41 CO 0.00 0.07 0.00 -1.22 0.00 0.00 0.00 178.15 177.00 3i9v n TYR 42 N -5.02 0.19 -2.19 1.37 4.01 0.10 -4.86 117.16 110.75 3i9v n TYR 42 Ca 0.12 -0.13 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 3i9v n TYR 42 Cb 0.36 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.36 3i9v n TYR 42 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3i9v s ARG 43 N -1.39 4.34 0.00 -0.72 3.00 -1.09 -4.98 118.95 118.11 3i9v s ARG 43 Ca 0.26 2.06 0.00 0.00 -1.00 0.00 0.00 55.73 57.04 3i9v s ARG 43 Cb 0.16 -3.24 0.00 0.00 0.00 0.00 0.00 34.95 31.88 3i9v s ARG 43 CO 0.24 -0.38 0.00 -1.33 0.00 0.00 0.00 175.30 173.83 3i9v n MET 44 N 3.58 0.00 0.09 5.12 2.81 -1.26 -4.77 117.12 122.69 3i9v n MET 44 Ca 0.10 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 56.09 3i9v n MET 44 Cb 0.43 0.00 0.43 0.00 -0.71 0.00 0.00 33.22 33.36 3i9v n MET 44 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 3i9v n GLU 45 N 0.00 0.13 -1.88 0.03 0.00 -1.26 -4.85 120.64 112.80 3i9v n GLU 45 Ca 0.00 0.38 -0.37 0.00 0.00 0.00 0.00 57.16 57.17 3i9v n GLU 45 Cb 0.00 -1.75 0.05 0.00 0.00 0.00 0.00 31.44 29.74 3i9v n GLU 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 3i9v s ARG 46 N -3.22 2.80 0.52 3.44 0.52 -1.26 -4.99 118.95 116.76 3i9v s ARG 46 Ca 0.05 1.96 -0.19 0.00 -0.52 0.00 0.00 55.73 57.02 3i9v s ARG 46 Cb 0.09 -1.91 -0.07 0.00 0.52 0.00 0.00 34.95 33.58 3i9v s ARG 46 CO 0.33 -1.38 1.06 -1.25 0.02 0.00 0.00 175.30 174.08 3i9v s PRO 47 N -3.32 3.63 -0.21 3.54 0.04 -1.26 -4.98 135.00 132.43 3i9v s PRO 47 Ca 0.79 1.38 -0.04 0.00 0.04 0.00 0.00 61.00 63.17 3i9v s PRO 47 Cb -0.34 -2.07 0.11 0.00 0.04 0.00 0.00 34.50 32.24 3i9v s PRO 47 CO 0.37 -0.58 0.31 -0.47 0.04 0.00 0.00 177.00 176.67 3i9v s TYR 48 N -2.04 -0.58 -0.59 0.56 6.14 -1.26 -5.03 117.35 114.56 3i9v s TYR 48 Ca 0.68 0.67 0.06 0.00 0.64 0.00 0.00 57.07 59.11 3i9v s TYR 48 Cb -0.18 -0.11 0.01 0.00 0.42 0.00 0.00 41.96 42.11 3i9v s TYR 48 CO 0.24 -0.62 0.53 -0.40 0.64 0.00 0.00 175.55 175.95 3i9v n ASP 49 N 5.35 1.08 -4.49 4.32 5.75 -1.26 -5.04 116.55 122.26 3i9v n ASP 49 Ca -0.05 -1.04 -0.35 0.00 -0.01 0.00 0.00 54.79 53.35 3i9v n ASP 49 Cb 0.50 0.34 0.10 0.00 -1.03 0.00 0.00 41.12 41.03 3i9v n ASP 49 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3i9v n LEU 50 N -0.16 1.11 0.09 -2.12 7.94 -1.26 -4.96 117.00 117.64 3i9v n LEU 50 Ca 0.03 0.50 -0.21 0.00 -1.11 0.00 0.00 56.01 55.23 3i9v n LEU 50 Cb 0.13 -1.26 -0.12 0.00 0.53 0.00 0.00 43.42 42.70 3i9v n LEU 50 CO 0.06 -3.04 -0.04 -0.65 -1.11 0.00 0.00 177.39 172.62 3i9v h PRO 51 N -0.85 0.56 -5.27 1.96 0.11 -1.96 -3.47 132.00 123.09 3i9v h PRO 51 Ca -0.45 -0.75 -0.61 0.00 0.11 0.00 0.00 66.00 64.30 3i9v h PRO 51 Cb 1.32 0.25 -0.13 0.00 0.11 0.00 0.00 31.00 32.54 3i9v h PRO 51 CO 0.40 1.33 -0.55 0.95 -0.21 0.00 0.00 178.00 179.93 3i9v s THR 52 N -2.98 1.22 -0.16 -1.15 -4.23 -1.26 -5.06 115.64 102.02 3i9v s THR 52 Ca -0.08 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.53 3i9v s THR 52 Cb 0.06 -2.49 0.19 0.00 1.34 0.00 0.00 72.50 71.60 3i9v s THR 52 CO 0.92 0.00 1.12 0.35 -0.54 0.00 0.00 174.62 176.47 3i9v n THR 53 N -1.03 1.46 -3.90 3.99 -2.24 -1.26 -4.98 114.28 106.32 3i9v n THR 53 Ca -0.10 -1.57 -0.35 0.00 -2.27 0.00 0.00 64.05 59.76 3i9v n THR 53 Cb 0.66 0.15 -0.14 0.00 -2.10 0.00 0.00 70.33 68.90 3i9v n THR 53 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3i9v s ILE 54 N -1.89 3.36 -0.17 2.28 2.07 -1.26 -2.38 121.20 123.21 3i9v s ILE 54 Ca 0.18 -0.53 0.09 0.00 -1.41 0.00 0.00 60.65 58.98 3i9v s ILE 54 Cb 0.15 -2.55 -0.17 0.00 0.13 0.00 0.00 42.46 40.02 3i9v s ILE 54 CO 0.03 0.40 -0.03 0.80 -1.91 0.00 0.00 174.94 174.23 3i9v n MET 55 N 4.79 1.08 -3.99 3.50 0.00 0.76 -4.87 117.12 118.39 3i9v n MET 55 Ca -0.18 0.04 -0.30 0.00 -0.00 0.00 0.00 57.70 57.26 3i9v n MET 55 Cb 0.50 -1.41 -0.16 0.00 0.00 0.00 0.00 33.22 32.16 3i9v n MET 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 3i9v s THR 56 N -2.39 1.56 0.36 1.12 2.01 -0.45 -2.88 115.64 114.97 3i9v s THR 56 Ca -0.15 -0.87 0.08 0.00 0.31 0.00 0.00 61.69 61.06 3i9v s THR 56 Cb 0.06 -1.61 -0.05 0.00 0.01 0.00 0.00 72.50 70.91 3i9v s THR 56 CO 0.58 0.24 0.09 0.00 -0.69 0.00 0.00 174.62 174.85 3i9v s ALA 57 N 1.45 3.39 0.13 7.40 0.00 0.36 0.08 121.76 134.57 3i9v s ALA 57 Ca 0.01 -1.96 -0.19 0.00 0.00 0.00 0.00 51.96 49.82 3i9v s ALA 57 Cb -0.15 -0.48 0.05 0.00 0.00 0.00 0.00 23.12 22.54 3i9v s ALA 57 CO -0.09 -0.00 0.47 -1.54 0.00 0.00 0.00 175.76 174.60 3i9v s SER 58 N -3.80 -0.36 -0.36 0.00 1.04 -0.80 -0.37 113.70 109.05 3i9v s SER 58 Ca 0.37 -0.18 -0.00 0.00 0.48 0.00 0.00 55.95 56.62 3i9v s SER 58 Cb 0.00 0.52 0.09 0.00 0.10 0.00 0.00 66.02 66.73 3i9v s SER 58 CO 0.21 -0.88 0.10 -0.76 0.98 0.00 0.00 173.24 172.89 3i9v s LEU 59 N -2.73 4.72 0.34 2.42 1.43 -0.76 -1.59 118.68 122.51 3i9v s LEU 59 Ca 0.02 -1.88 0.07 0.00 -1.03 0.00 0.00 54.13 51.30 3i9v s LEU 59 Cb 0.01 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 3i9v s LEU 59 CO -0.12 -0.42 0.47 -0.44 0.23 0.00 0.00 176.35 176.08 3i9v s SER 60 N 1.38 5.93 0.00 2.29 0.01 -0.16 -1.70 113.70 121.45 3i9v s SER 60 Ca 0.05 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.10 3i9v s SER 60 Cb -0.21 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 64.84 3i9v s SER 60 CO -0.05 -0.46 0.00 -0.90 0.41 0.00 0.00 173.24 172.25 3i9v n ASP 61 N -1.65 0.00 -0.16 2.44 5.68 -0.97 -2.62 116.55 119.26 3i9v n ASP 61 Ca 0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.19 3i9v n ASP 61 Cb 0.58 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.56 3i9v n ASP 61 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3i9v h GLY 62 N 0.00 0.95 2.00 6.12 0.00 -1.89 -2.67 103.07 107.59 3i9v h GLY 62 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.57 3i9v h GLY 62 CO 0.00 0.70 0.00 1.41 0.00 0.00 0.00 176.54 178.65 3i9v h LEU 63 N 0.73 0.00 0.00 3.11 4.07 -1.95 -3.47 115.31 117.81 3i9v h LEU 63 Ca 0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.08 3i9v h LEU 63 Cb 0.61 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.35 3i9v h LEU 63 CO 0.04 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.01 3i9v n GLY 64 N -0.16 0.99 3.68 0.83 0.00 -1.01 -5.04 105.19 104.49 3i9v n GLY 64 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i9v n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9v s GLU 65 N -0.58 4.28 0.48 1.61 0.41 -1.26 -4.62 118.70 119.02 3i9v s GLU 65 Ca 0.00 1.90 -0.19 0.00 -0.41 0.00 0.00 54.97 56.27 3i9v s GLU 65 Cb 0.00 -3.63 -0.09 0.00 -1.78 0.00 0.00 34.13 28.63 3i9v s GLU 65 CO 0.00 -0.59 0.98 -2.14 -0.49 0.00 0.00 175.26 173.02 3i9v s PRO 66 N 2.65 4.00 0.00 0.39 0.02 -1.26 -2.29 135.00 138.51 3i9v s PRO 66 Ca 0.62 1.11 0.02 0.00 0.02 0.00 0.00 61.00 62.77 3i9v s PRO 66 Cb -0.29 -2.14 -0.00 0.00 0.02 0.00 0.00 34.50 32.08 3i9v s PRO 66 CO 0.24 -0.23 0.33 1.97 -0.33 0.00 0.00 177.00 178.99 3i9v n PHE 67 N -1.11 0.00 -3.75 6.54 1.16 -0.69 -4.70 117.46 114.90 3i9v n PHE 67 Ca 0.07 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.53 3i9v n PHE 67 Cb 0.54 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.28 3i9v n PHE 67 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 3i9v s LEU 68 N -1.15 0.71 -0.03 5.98 1.98 -1.18 -4.39 118.68 120.60 3i9v s LEU 68 Ca 0.02 0.43 0.04 0.00 -2.89 0.00 0.00 54.13 51.74 3i9v s LEU 68 Cb 0.02 0.62 -0.01 0.00 0.66 0.00 0.00 46.19 47.49 3i9v s LEU 68 CO 0.06 -0.14 -0.17 -0.76 -1.89 0.00 0.00 176.35 173.46 3i9v s LEU 69 N 0.93 1.94 0.04 -0.68 1.43 -0.66 -1.83 118.68 119.85 3i9v s LEU 69 Ca -0.07 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 3i9v s LEU 69 Cb -0.08 -0.92 -0.02 0.00 0.03 0.00 0.00 46.19 45.19 3i9v s LEU 69 CO -0.06 0.17 -0.12 0.00 0.23 0.00 0.00 176.35 176.57 3i9v s ALA 70 N -0.08 0.97 -0.03 4.21 0.00 0.50 -2.05 121.76 125.28 3i9v s ALA 70 Ca -0.01 -0.75 -0.29 0.00 0.00 0.00 0.00 51.96 50.91 3i9v s ALA 70 Cb -0.10 -0.13 0.08 0.00 0.00 0.00 0.00 23.12 22.97 3i9v s ALA 70 CO 0.01 0.16 0.73 0.16 0.00 0.00 0.00 175.76 176.83 3i9v s ASP 71 N -1.11 -0.58 0.16 0.00 -4.77 -0.97 -0.49 116.67 108.91 3i9v s ASP 71 Ca -0.01 0.50 0.09 0.00 -3.30 0.00 0.00 52.55 49.83 3i9v s ASP 71 Cb -0.08 0.50 -0.04 0.00 -1.09 0.00 0.00 42.92 42.21 3i9v s ASP 71 CO 0.01 -0.63 -0.19 0.54 0.70 0.00 0.00 175.17 175.60 3i9v s VAL 72 N -1.73 1.85 0.25 2.11 0.11 -1.14 0.49 120.40 122.35 3i9v s VAL 72 Ca -0.06 -1.91 -0.22 0.00 -2.93 0.00 0.00 61.98 56.85 3i9v s VAL 72 Cb -0.00 -1.85 -0.09 0.00 -1.53 0.00 0.00 36.38 32.91 3i9v s VAL 72 CO 0.04 -0.29 0.80 -0.94 -3.33 0.00 0.00 175.10 171.38 3i9v s SER 73 N -2.63 7.18 1.10 3.54 1.04 -1.08 -4.89 113.70 117.96 3i9v s SER 73 Ca 0.16 1.58 -0.17 0.00 0.48 0.00 0.00 55.95 58.00 3i9v s SER 73 Cb -0.06 -2.48 0.16 0.00 0.10 0.00 0.00 66.02 63.74 3i9v s SER 73 CO 0.07 0.01 0.23 -0.81 0.98 0.00 0.00 173.24 173.72 3i9v n PRO 74 N 0.75 -2.26 0.21 4.02 -0.04 -1.26 -4.90 135.00 131.52 3i9v n PRO 74 Ca -0.01 -0.66 0.10 0.00 -0.04 0.00 0.00 63.50 62.89 3i9v n PRO 74 Cb 0.50 -1.60 0.24 0.00 -0.04 0.00 0.00 33.50 32.61 3i9v n PRO 74 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3i9v h ARG 75 N -2.53 0.00 -0.17 0.54 2.43 -1.97 -3.26 114.38 109.42 3i9v h ARG 75 Ca -0.38 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 3i9v h ARG 75 Cb 1.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3i9v h ARG 75 CO 0.25 0.15 0.00 0.72 -1.51 0.00 0.00 179.97 179.58 3i9v n HIS 76 N -3.16 0.20 -3.87 2.20 8.25 -1.26 -4.98 115.22 112.60 3i9v n HIS 76 Ca 0.03 -0.12 -0.25 0.00 -0.26 0.00 0.00 57.72 57.12 3i9v n HIS 76 Cb 0.53 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 3i9v n HIS 76 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i9v s ALA 77 N -1.58 3.91 0.42 -1.41 0.00 -1.23 -5.10 121.76 116.77 3i9v s ALA 77 Ca 0.29 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 3i9v s ALA 77 Cb 0.19 -1.83 -0.02 0.00 0.00 0.00 0.00 23.12 21.45 3i9v s ALA 77 CO 0.27 0.40 0.66 0.21 0.00 0.00 0.00 175.76 177.29 3i9v s LYS 78 N -3.54 3.38 -1.28 0.00 2.47 -1.26 -4.44 119.74 115.07 3i9v s LYS 78 Ca 0.35 -0.22 -0.02 0.00 -1.56 0.00 0.00 55.97 54.53 3i9v s LYS 78 Cb -0.10 -2.54 0.01 0.00 -1.46 0.00 0.00 37.83 33.73 3i9v s LYS 78 CO 0.29 -0.08 0.90 1.28 0.16 0.00 0.00 175.35 177.90 3i9v n LEU 79 N -2.02 -3.51 -4.68 5.43 4.32 -1.26 -4.84 117.00 110.44 3i9v n LEU 79 Ca -0.02 -0.70 -0.48 0.00 -0.02 0.00 0.00 56.01 54.79 3i9v n LEU 79 Cb 0.56 -2.90 -0.05 0.00 -1.62 0.00 0.00 43.42 39.42 3i9v n LEU 79 CO 0.50 0.42 1.40 0.29 -1.22 0.00 0.00 177.39 178.78 3i9v n LYS 80 N -4.31 2.09 -4.21 3.23 5.02 -1.26 -4.98 118.16 113.74 3i9v n LYS 80 Ca -0.24 0.76 -0.13 0.00 -2.02 0.00 0.00 58.31 56.68 3i9v n LYS 80 Cb 0.65 -2.58 -0.10 0.00 -0.02 0.00 0.00 35.03 32.98 3i9v n LYS 80 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3i9v s ARG 81 N 3.27 0.95 -0.10 1.97 3.03 -1.26 -4.94 118.95 121.87 3i9v s ARG 81 Ca 0.90 -1.36 -0.02 0.00 2.03 0.00 0.00 55.73 57.27 3i9v s ARG 81 Cb -0.72 -0.49 -0.03 0.00 -1.03 0.00 0.00 34.95 32.69 3i9v s ARG 81 CO 0.49 0.05 -0.01 -1.50 -1.13 0.00 0.00 175.30 173.20 3i9v s ILE 82 N -3.25 4.17 0.10 4.99 2.07 -0.76 -2.63 121.20 125.88 3i9v s ILE 82 Ca 0.13 -0.29 0.10 0.00 -1.41 0.00 0.00 60.65 59.18 3i9v s ILE 82 Cb 0.02 -2.76 -0.03 0.00 0.13 0.00 0.00 42.46 39.81 3i9v s ILE 82 CO -0.01 0.58 -0.25 -0.83 -1.91 0.00 0.00 174.94 172.52 3i9v s GLY 83 N -0.58 1.41 -0.09 1.50 0.00 0.18 -0.87 107.32 108.86 3i9v s GLY 83 Ca 0.09 -1.33 0.02 0.00 0.00 0.00 0.00 44.72 43.50 3i9v s GLY 83 CO 0.02 -1.29 -0.13 1.08 0.00 0.00 0.00 173.10 172.78 3i9v s LEU 84 N -1.77 1.60 -0.04 0.66 1.43 -1.05 -2.30 118.68 117.21 3i9v s LEU 84 Ca 0.11 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 3i9v s LEU 84 Cb -0.10 -0.94 0.01 0.00 0.03 0.00 0.00 46.19 45.19 3i9v s LEU 84 CO 0.04 0.00 -0.08 -0.60 0.23 0.00 0.00 176.35 175.95 3i9v s ARG 85 N 0.96 1.04 -0.66 1.70 3.00 -0.87 0.26 118.95 124.38 3i9v s ARG 85 Ca -0.08 -0.26 -0.18 0.00 -1.00 0.00 0.00 55.73 54.21 3i9v s ARG 85 Cb -0.15 -0.95 0.12 0.00 0.00 0.00 0.00 34.95 33.97 3i9v s ARG 85 CO -0.00 0.04 0.75 -0.51 0.00 0.00 0.00 175.30 175.57 3i9v s LEU 86 N 0.50 5.57 0.12 -0.88 1.43 -0.48 -1.65 118.68 123.29 3i9v s LEU 86 Ca -0.08 -1.68 -0.31 0.00 -1.03 0.00 0.00 54.13 51.03 3i9v s LEU 86 Cb -0.12 -2.30 -0.09 0.00 0.03 0.00 0.00 46.19 43.72 3i9v s LEU 86 CO 0.01 -1.03 1.56 -2.16 0.23 0.00 0.00 176.35 174.96 3i9v s PRO 87 N 2.31 4.23 0.00 1.29 0.04 -1.26 -2.03 135.00 139.57 3i9v s PRO 87 Ca 0.14 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.47 3i9v s PRO 87 Cb -0.21 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.01 3i9v s PRO 87 CO 0.02 -0.62 0.00 0.54 0.04 0.00 0.00 177.00 176.99 3i9v n ARG 88 N 4.53 0.00 -0.09 4.56 1.74 -1.26 -4.85 116.66 121.28 3i9v n ARG 88 Ca 0.14 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.25 3i9v n ARG 88 Cb 0.40 -0.34 0.08 0.00 -1.02 0.00 0.00 32.46 31.58 3i9v n ARG 88 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i9v n ALA 89 N -1.47 2.14 -3.64 7.54 0.00 -0.86 -5.03 120.51 119.18 3i9v n ALA 89 Ca 0.00 -1.04 -0.29 0.00 0.00 0.00 0.00 53.44 52.12 3i9v n ALA 89 Cb 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 19.45 19.21 3i9v n ALA 89 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3i9v n HIS 90 N 0.12 -2.14 -3.54 0.00 1.44 -1.23 -5.02 115.22 104.84 3i9v n HIS 90 Ca 0.06 0.89 -0.14 0.00 -2.01 0.00 0.00 57.72 56.53 3i9v n HIS 90 Cb 0.34 -2.31 -0.12 0.00 0.12 0.00 0.00 29.99 28.02 3i9v n HIS 90 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3i9v s ILE 91 N -2.43 -0.45 0.01 0.61 1.01 -1.25 -5.03 121.20 113.67 3i9v s ILE 91 Ca 0.12 0.08 0.06 0.00 0.00 0.00 0.00 60.65 60.91 3i9v s ILE 91 Cb -0.01 -0.61 -0.03 0.00 0.01 0.00 0.00 42.46 41.82 3i9v s ILE 91 CO 0.85 -0.04 -0.18 -1.00 0.00 0.00 0.00 174.94 174.58 3i9v s HIS 92 N 2.43 2.56 0.13 3.97 3.76 -1.26 -1.38 115.29 125.50 3i9v s HIS 92 Ca 0.05 -0.26 0.08 0.00 -0.15 0.00 0.00 55.06 54.79 3i9v s HIS 92 Cb -0.14 -1.50 -0.04 0.00 1.11 0.00 0.00 32.58 32.01 3i9v s HIS 92 CO -0.11 0.21 -0.20 -0.51 -0.85 0.00 0.00 174.74 173.27 3i9v s LEU 93 N -1.19 2.36 -0.28 0.89 1.02 0.14 -4.99 118.68 116.62 3i9v s LEU 93 Ca 0.13 -0.76 -0.04 0.00 0.02 0.00 0.00 54.13 53.49 3i9v s LEU 93 Cb -0.10 -0.88 0.10 0.00 0.02 0.00 0.00 46.19 45.33 3i9v s LEU 93 CO 0.03 0.03 0.12 -1.00 0.02 0.00 0.00 176.35 175.55 3i9v s HIS 94 N -1.52 0.51 -0.20 0.29 3.76 -1.26 -2.54 115.29 114.32 3i9v s HIS 94 Ca 0.11 -0.96 -0.17 0.00 -0.15 0.00 0.00 55.06 53.88 3i9v s HIS 94 Cb -0.08 -1.00 -0.04 0.00 1.11 0.00 0.00 32.58 32.57 3i9v s HIS 94 CO 0.05 -0.81 0.46 0.00 -0.85 0.00 0.00 174.74 173.59 3i9v s ALA 95 N 2.03 3.55 0.00 -1.40 0.00 -0.05 -4.33 121.76 121.56 3i9v s ALA 95 Ca 0.09 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.58 3i9v s ALA 95 Cb -0.16 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.23 3i9v s ALA 95 CO -0.33 -0.38 0.00 0.72 0.00 0.00 0.00 175.76 175.76 3i9v n HIS 96 N 4.66 -0.92 -3.60 0.00 8.25 0.35 -1.83 115.22 122.13 3i9v n HIS 96 Ca -0.06 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.16 3i9v n HIS 96 Cb 0.51 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.45 3i9v n HIS 96 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3i9v s TYR 97 N 1.57 0.07 0.11 4.41 5.04 -1.26 -3.07 117.35 124.21 3i9v s TYR 97 Ca 0.00 -0.08 -0.04 0.00 -2.44 0.00 0.00 57.07 54.51 3i9v s TYR 97 Cb 0.00 -0.58 -0.05 0.00 0.35 0.00 0.00 41.96 41.68 3i9v s TYR 97 CO 0.00 -0.47 0.33 -1.21 -1.34 0.00 0.00 175.55 172.86 3i9v s GLU 98 N 2.19 3.57 -0.03 4.97 0.41 -0.64 -4.97 118.70 124.19 3i9v s GLU 98 Ca 0.03 -0.18 -0.30 0.00 -0.41 0.00 0.00 54.97 54.11 3i9v s GLU 98 Cb -0.15 -2.91 -0.04 0.00 -1.78 0.00 0.00 34.13 29.24 3i9v s GLU 98 CO -0.08 0.52 1.26 -1.25 -0.49 0.00 0.00 175.26 175.21 3i9v s PRO 99 N -2.56 4.33 0.00 0.39 0.04 -1.26 -1.68 135.00 134.26 3i9v s PRO 99 Ca 0.39 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.19 3i9v s PRO 99 Cb -0.12 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.86 3i9v s PRO 99 CO 0.25 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.22 3i9v n GLY 100 N 3.45 1.79 0.24 0.56 0.00 -1.26 -4.69 105.19 105.28 3i9v n GLY 100 Ca 0.12 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 3i9v n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i9v h LYS 101 N 0.00 -0.56 0.00 1.61 1.79 -2.00 -3.50 116.57 113.91 3i9v h LYS 101 Ca 0.00 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3i9v h LYS 101 Cb 0.00 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 3i9v h LYS 101 CO 0.00 -0.37 0.00 0.41 -1.08 0.00 0.00 179.45 178.41 3i9v n GLY 102 N -0.10 0.49 3.67 3.86 0.00 -0.68 -5.00 105.19 107.43 3i9v n GLY 102 Ca -0.07 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.37 3i9v n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i9v s LEU 103 N 0.00 4.33 0.06 0.99 2.96 -1.26 -1.62 118.68 124.13 3i9v s LEU 103 Ca 0.00 2.26 0.06 0.00 -0.22 0.00 0.00 54.13 56.23 3i9v s LEU 103 Cb 0.00 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.12 3i9v s LEU 103 CO 0.00 -0.90 -0.16 0.68 -1.32 0.00 0.00 176.35 174.64 3i9v s VAL 104 N 3.70 1.31 -1.09 1.68 -7.23 -1.18 -0.78 120.40 116.81 3i9v s VAL 104 Ca 0.73 -1.18 -0.06 0.00 -1.81 0.00 0.00 61.98 59.65 3i9v s VAL 104 Cb -0.34 -1.19 0.30 0.00 0.56 0.00 0.00 36.38 35.71 3i9v s VAL 104 CO 0.30 -0.01 1.35 0.35 -0.31 0.00 0.00 175.10 176.77 3i9v n THR 105 N 1.64 5.05 0.00 5.32 -2.24 -0.40 -0.49 114.28 123.15 3i9v n THR 105 Ca -0.19 -5.73 0.00 0.00 -2.27 0.00 0.00 64.05 55.86 3i9v n THR 105 Cb 0.54 -2.27 0.00 0.00 -2.10 0.00 0.00 70.33 66.50 3i9v n THR 105 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i9v n GLY 106 N 1.83 2.28 0.00 3.38 0.00 -1.26 -3.60 105.19 107.81 3i9v n GLY 106 Ca 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3i9v n GLY 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i9v n LYS 107 N 0.00 1.84 -3.45 1.61 5.02 -1.26 -4.99 118.16 116.92 3i9v n LYS 107 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 3i9v n LYS 107 Cb 0.00 -0.85 -0.10 0.00 -0.02 0.00 0.00 35.03 34.06 3i9v n LYS 107 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i9v s ILE 108 N -1.67 5.22 0.24 -0.18 1.09 -1.24 -5.06 121.20 119.59 3i9v s ILE 108 Ca 0.00 0.45 -0.31 0.00 -1.10 0.00 0.00 60.65 59.68 3i9v s ILE 108 Cb 0.00 -3.65 -0.13 0.00 -1.06 0.00 0.00 42.46 37.62 3i9v s ILE 108 CO 0.00 0.19 1.48 -2.65 -0.10 0.00 0.00 174.94 173.86 3i9v n PRO 109 N 5.24 2.20 -3.13 2.79 -0.02 -1.26 -1.28 135.00 139.54 3i9v n PRO 109 Ca -0.10 0.79 -0.44 0.00 -2.02 0.00 0.00 63.50 61.72 3i9v n PRO 109 Cb 0.51 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3i9v n PRO 109 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3i9v n LEU 110 N 2.43 5.65 -4.89 2.45 7.94 0.04 -4.87 117.00 125.74 3i9v n LEU 110 Ca 0.12 -4.89 -0.29 0.00 -1.11 0.00 0.00 56.01 49.84 3i9v n LEU 110 Cb 0.32 -1.49 0.06 0.00 0.53 0.00 0.00 43.42 42.84 3i9v n LEU 110 CO 0.63 1.24 0.75 0.42 -1.11 0.00 0.00 177.39 179.32 3i9v s THR 111 N -0.65 2.98 0.16 1.96 -4.23 -1.26 -4.86 115.64 109.73 3i9v s THR 111 Ca 0.35 0.29 -0.24 0.00 -1.18 0.00 0.00 61.69 60.91 3i9v s THR 111 Cb -0.05 -3.31 0.03 0.00 1.34 0.00 0.00 72.50 70.52 3i9v s THR 111 CO -0.03 -0.40 1.61 0.50 -0.54 0.00 0.00 174.62 175.76 3i9v h LYS 112 N -0.77 -0.28 -0.50 3.99 3.64 -1.99 -0.66 116.57 120.01 3i9v h LYS 112 Ca -0.45 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.01 3i9v h LYS 112 Cb 1.28 0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 33.07 3i9v h LYS 112 CO 0.64 -0.19 -0.52 0.93 -2.27 0.00 0.00 179.45 178.05 3i9v h GLU 113 N -0.29 -0.31 -0.67 1.90 3.07 -1.99 0.26 114.58 116.56 3i9v h GLU 113 Ca 0.15 0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.04 3i9v h GLU 113 Cb 0.53 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.47 3i9v h GLU 113 CO -0.47 -0.20 0.44 -0.09 -1.40 0.00 0.00 179.01 177.29 3i9v h ARG 114 N -0.32 0.86 -0.01 2.33 2.43 -1.83 -0.76 114.38 117.09 3i9v h ARG 114 Ca 0.11 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3i9v h ARG 114 Cb 0.57 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3i9v h ARG 114 CO -0.65 0.57 0.00 0.35 -1.51 0.00 0.00 179.97 178.73 3i9v h PHE 115 N 0.89 0.01 -0.98 2.20 3.57 0.08 -2.54 116.94 120.16 3i9v h PHE 115 Ca 0.25 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.86 3i9v h PHE 115 Cb -0.08 -0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.58 3i9v h PHE 115 CO -0.00 0.20 0.63 0.74 -2.23 0.00 0.00 178.31 177.64 3i9v h PHE 116 N -0.18 1.11 -0.10 0.41 -1.00 0.17 -0.66 116.94 116.70 3i9v h PHE 116 Ca 0.00 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.83 3i9v h PHE 116 Cb 0.19 -0.36 -0.02 0.00 3.61 0.00 0.00 35.95 39.37 3i9v h PHE 116 CO -0.01 0.47 -0.04 0.00 -1.61 0.00 0.00 178.31 177.12 3i9v h ALA 117 N 1.53 0.05 -0.36 2.45 0.00 -1.00 -0.66 119.26 121.27 3i9v h ALA 117 Ca 0.47 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 3i9v h ALA 117 Cb 0.44 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3i9v h ALA 117 CO -0.24 -0.50 0.17 1.25 0.00 0.00 0.00 179.25 179.93 3i9v h LEU 118 N -0.03 0.47 -1.14 0.00 5.85 -0.98 -1.31 115.31 118.17 3i9v h LEU 118 Ca 0.05 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 3i9v h LEU 118 Cb 0.10 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3i9v h LEU 118 CO -0.11 0.46 0.18 0.00 -0.34 0.00 0.00 178.44 178.64 3i9v h ALA 119 N 1.02 1.32 0.34 1.25 0.00 -0.92 0.45 119.26 122.72 3i9v h ALA 119 Ca 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3i9v h ALA 119 Cb 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3i9v h ALA 119 CO -0.02 0.50 -0.16 -0.44 0.00 0.00 0.00 179.25 179.13 3i9v h ASP 120 N 0.78 -0.39 -0.59 0.00 3.32 -0.97 0.19 116.42 118.76 3i9v h ASP 120 Ca 0.18 -0.16 0.10 0.00 0.02 0.00 0.00 57.03 57.16 3i9v h ASP 120 Cb 0.20 0.10 -0.11 0.00 0.22 0.00 0.00 39.33 39.74 3i9v h ASP 120 CO -0.01 0.02 -0.39 0.03 -1.72 0.00 0.00 179.24 177.17 3i9v h ARG 121 N -0.87 -0.19 -0.25 3.56 2.47 -1.06 -0.15 114.38 117.89 3i9v h ARG 121 Ca -0.05 0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.74 3i9v h ARG 121 Cb 0.53 0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 28.84 3i9v h ARG 121 CO 0.08 -0.13 -0.11 0.00 0.56 0.00 0.00 179.97 180.37 3i9v h ALA 122 N 0.80 0.10 -0.28 0.04 0.00 -0.88 -1.95 119.26 117.09 3i9v h ALA 122 Ca 0.21 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.23 3i9v h ALA 122 Cb 0.56 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3i9v h ALA 122 CO -0.69 -0.52 0.14 -0.09 0.00 0.00 0.00 179.25 178.10 3i9v h ARG 123 N -0.07 0.29 -0.39 0.00 2.43 0.93 0.29 114.38 117.86 3i9v h ARG 123 Ca 0.13 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3i9v h ARG 123 Cb 0.27 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3i9v h ARG 123 CO -0.30 0.19 0.03 0.93 -1.51 0.00 0.00 179.97 179.31 3i9v h GLU 124 N 0.30 0.67 -0.01 0.20 5.08 -1.00 -2.93 114.58 116.89 3i9v h GLU 124 Ca 0.11 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3i9v h GLU 124 Cb 0.02 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3i9v h GLU 124 CO -0.07 0.75 -0.10 0.00 -1.00 0.00 0.00 179.01 178.59 3i9v h ALA 125 N 0.89 0.03 0.08 3.43 0.00 -1.06 -3.41 119.26 119.23 3i9v h ALA 125 Ca 0.11 -0.38 -0.32 0.00 0.00 0.00 0.00 54.91 54.32 3i9v h ALA 125 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3i9v h ALA 125 CO 0.02 -0.05 -1.74 1.28 0.00 0.00 0.00 179.25 178.75 3i9v n LEU 126 N -4.65 2.35 -4.62 0.00 4.77 0.99 -4.95 117.00 110.88 3i9v n LEU 126 Ca -0.09 0.29 -0.45 0.00 -0.03 0.00 0.00 56.01 55.73 3i9v n LEU 126 Cb 0.40 -1.06 -0.04 0.00 -2.33 0.00 0.00 43.42 40.38 3i9v n LEU 126 CO 0.36 0.65 1.69 0.00 -1.33 0.00 0.00 177.39 178.76 3i9v n ALA 127 N -3.16 1.47 -0.03 -1.18 0.00 -1.11 -4.88 120.51 111.61 3i9v n ALA 127 Ca -0.32 0.04 -0.03 0.00 0.00 0.00 0.00 53.44 53.12 3i9v n ALA 127 Cb 0.92 -2.72 0.20 0.00 0.00 0.00 0.00 19.45 17.85 3i9v n ALA 127 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3i9v h PHE 128 N 12.05 0.65 0.00 0.00 -1.00 -1.91 -3.49 116.94 123.24 3i9v h PHE 128 Ca -0.45 -0.11 0.00 0.00 2.81 0.00 0.00 57.97 60.22 3i9v h PHE 128 Cb 1.25 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 40.64 3i9v h PHE 128 CO 0.94 0.71 0.00 0.00 -1.61 0.00 0.00 178.31 178.34