#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iv3 s ILE 3 N 0.00 1.07 -0.01 0.55 2.07 -1.26 -1.23 121.20 122.39 1iv3 s ILE 3 Ca 0.00 -1.38 -0.03 0.00 -1.41 0.00 0.00 60.65 57.83 1iv3 s ILE 3 Cb 0.00 -1.12 -0.00 0.00 0.13 0.00 0.00 42.46 41.46 1iv3 s ILE 3 CO 0.00 -0.30 0.06 -0.83 -1.91 0.00 0.00 174.94 171.96 1iv3 s GLY 4 N -1.90 0.05 -0.05 1.50 0.00 -0.52 -4.15 107.32 102.26 1iv3 s GLY 4 Ca -0.00 -0.09 0.04 0.00 0.00 0.00 0.00 44.72 44.66 1iv3 s GLY 4 CO 0.02 -0.16 -0.15 -0.47 0.00 0.00 0.00 173.10 172.34 1iv3 s TYR 5 N -0.69 1.58 0.12 1.90 5.04 -1.26 -0.56 117.35 123.49 1iv3 s TYR 5 Ca -0.08 -0.48 -0.08 0.00 -2.44 0.00 0.00 57.07 53.99 1iv3 s TYR 5 Cb -0.05 -1.09 -0.01 0.00 0.35 0.00 0.00 41.96 41.16 1iv3 s TYR 5 CO 0.00 -0.19 0.22 0.20 -1.34 0.00 0.00 175.55 174.44 1iv3 s GLY 6 N 0.20 0.31 0.03 8.97 0.00 -0.08 -4.30 107.32 112.45 1iv3 s GLY 6 Ca -0.06 -0.79 -0.00 0.00 0.00 0.00 0.00 44.72 43.86 1iv3 s GLY 6 CO 0.03 -0.86 -0.03 -0.54 0.00 0.00 0.00 173.10 171.70 1iv3 s GLU 7 N -3.92 0.42 -0.01 2.90 2.02 -1.26 -0.16 118.70 118.69 1iv3 s GLU 7 Ca 0.11 -0.82 -0.21 0.00 0.02 0.00 0.00 54.97 54.08 1iv3 s GLU 7 Cb 0.04 0.15 0.04 0.00 0.10 0.00 0.00 34.13 34.46 1iv3 s GLU 7 CO -0.06 -0.07 0.45 0.34 0.02 0.00 0.00 175.26 175.94 1iv3 s ASP 8 N -1.97 -0.36 0.02 -0.19 2.15 -0.36 -4.50 116.67 111.46 1iv3 s ASP 8 Ca -0.08 0.27 -0.07 0.00 0.43 0.00 0.00 52.55 53.10 1iv3 s ASP 8 Cb -0.04 0.41 -0.00 0.00 -0.30 0.00 0.00 42.92 42.99 1iv3 s ASP 8 CO -0.04 -0.55 0.13 -0.94 -0.17 0.00 0.00 175.17 173.60 1iv3 s SER 9 N -1.43 0.08 -0.02 -0.34 1.04 -1.26 -0.29 113.70 111.48 1iv3 s SER 9 Ca -0.11 -0.34 -0.04 0.00 0.48 0.00 0.00 55.95 55.95 1iv3 s SER 9 Cb -0.03 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1iv3 s SER 9 CO 0.05 -0.44 0.09 -1.00 0.98 0.00 0.00 173.24 172.92 1iv3 s HIS 10 N -1.92 -0.02 0.33 5.02 3.76 -0.65 -4.99 115.29 116.82 1iv3 s HIS 10 Ca -0.11 0.05 -0.29 0.00 -0.15 0.00 0.00 55.06 54.57 1iv3 s HIS 10 Cb -0.05 -0.02 -0.10 0.00 1.11 0.00 0.00 32.58 33.52 1iv3 s HIS 10 CO -0.01 -0.13 1.39 0.50 -0.85 0.00 0.00 174.74 175.64 1iv3 s ARG 11 N -0.52 4.26 -0.13 1.40 3.52 -1.26 -1.09 118.95 125.13 1iv3 s ARG 11 Ca -0.06 2.34 -0.05 0.00 -0.13 0.00 0.00 55.73 57.83 1iv3 s ARG 11 Cb -0.04 -3.04 -0.04 0.00 -1.56 0.00 0.00 34.95 30.27 1iv3 s ARG 11 CO 0.00 -0.33 0.05 -0.51 -0.81 0.00 0.00 175.30 173.70 1iv3 s LEU 12 N -1.65 3.84 0.06 -0.88 1.43 0.24 -2.07 118.68 119.65 1iv3 s LEU 12 Ca 0.52 0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.85 1iv3 s LEU 12 Cb -0.42 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 1iv3 s LEU 12 CO 0.55 0.31 -0.13 -0.70 0.23 0.00 0.00 176.35 176.60 1iv3 s GLU 13 N -0.44 0.77 0.30 1.70 2.56 0.14 -4.85 118.70 118.88 1iv3 s GLU 13 Ca 0.09 -0.88 -0.30 0.00 0.00 0.00 0.00 54.97 53.88 1iv3 s GLU 13 Cb -0.12 -0.73 -0.12 0.00 2.00 0.00 0.00 34.13 35.16 1iv3 s GLU 13 CO 0.02 0.16 1.49 0.39 -0.56 0.00 0.00 175.26 176.76 1iv3 n GLU 14 N 1.41 2.44 -1.04 4.30 4.71 -1.26 -1.07 120.64 130.12 1iv3 n GLU 14 Ca -0.21 0.86 -0.01 0.00 -0.01 0.00 0.00 57.16 57.79 1iv3 n GLU 14 Cb 0.54 -2.58 -0.01 0.00 -1.01 0.00 0.00 31.44 28.39 1iv3 n GLU 14 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1iv3 n GLY 15 N 1.75 0.47 3.89 0.62 0.00 -0.75 -4.88 105.19 106.28 1iv3 n GLY 15 Ca 0.08 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1iv3 n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iv3 s ARG 16 N -1.05 3.65 0.47 1.61 0.52 -1.15 -4.95 118.95 118.05 1iv3 s ARG 16 Ca 0.00 -0.02 -0.24 0.00 -0.52 0.00 0.00 55.73 54.95 1iv3 s ARG 16 Cb 0.00 -2.88 -0.07 0.00 0.52 0.00 0.00 34.95 32.52 1iv3 s ARG 16 CO 0.00 0.49 1.28 -1.25 0.02 0.00 0.00 175.30 175.84 1iv3 s PRO 17 N -2.47 3.63 -0.22 3.54 0.04 -1.26 -2.32 135.00 135.94 1iv3 s PRO 17 Ca 0.39 2.07 -0.06 0.00 0.04 0.00 0.00 61.00 63.44 1iv3 s PRO 17 Cb -0.12 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.90 1iv3 s PRO 17 CO 0.23 -0.74 0.04 -1.17 0.04 0.00 0.00 177.00 175.39 1iv3 s LEU 18 N -2.97 3.41 -0.12 -3.56 2.96 -1.26 -3.33 118.68 113.80 1iv3 s LEU 18 Ca 0.64 -0.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.38 1iv3 s LEU 18 Cb -0.36 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.42 1iv3 s LEU 18 CO 0.44 0.03 -0.13 -0.31 -1.32 0.00 0.00 176.35 175.06 1iv3 s TYR 19 N 1.24 2.79 -0.11 5.38 2.02 -1.26 0.37 117.35 127.78 1iv3 s TYR 19 Ca 0.04 -0.58 -0.06 0.00 -0.37 0.00 0.00 57.07 56.10 1iv3 s TYR 19 Cb -0.15 -1.81 0.04 0.00 -0.40 0.00 0.00 41.96 39.65 1iv3 s TYR 19 CO 0.03 -0.16 0.26 -0.51 -1.57 0.00 0.00 175.55 173.59 1iv3 s LEU 20 N 0.20 0.49 -1.96 -1.29 1.43 -0.08 -4.07 118.68 113.39 1iv3 s LEU 20 Ca -0.08 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 1iv3 s LEU 20 Cb -0.15 0.79 0.00 0.00 0.03 0.00 0.00 46.19 46.86 1iv3 s LEU 20 CO 0.05 -0.15 0.00 0.00 0.23 0.00 0.00 176.35 176.48 1iv3 n GLY 22 N -0.70 0.88 3.66 0.00 0.00 -1.26 -4.47 105.19 103.30 1iv3 n GLY 22 Ca -0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 1iv3 n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iv3 s LEU 23 N 0.00 3.32 -0.06 0.99 1.43 -0.51 -5.04 118.68 118.82 1iv3 s LEU 23 Ca 0.00 -0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 52.50 1iv3 s LEU 23 Cb 0.00 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 1iv3 s LEU 23 CO 0.00 0.14 1.42 -0.22 0.23 0.00 0.00 176.35 177.92 1iv3 s LEU 24 N -2.52 4.28 -0.21 1.79 0.20 -1.26 -0.90 118.68 120.05 1iv3 s LEU 24 Ca 0.25 2.03 -0.03 0.00 0.69 0.00 0.00 54.13 57.07 1iv3 s LEU 24 Cb -0.11 -3.55 -0.00 0.00 -0.43 0.00 0.00 46.19 42.10 1iv3 s LEU 24 CO 0.17 -0.77 -0.07 -0.63 -0.29 0.00 0.00 176.35 174.76 1iv3 s ILE 25 N 3.07 3.17 0.08 6.68 -1.09 0.16 -4.96 121.20 128.30 1iv3 s ILE 25 Ca 0.64 -0.57 -0.34 0.00 -2.23 0.00 0.00 60.65 58.15 1iv3 s ILE 25 Cb -0.29 -2.42 -0.13 0.00 -1.58 0.00 0.00 42.46 38.04 1iv3 s ILE 25 CO 0.24 0.45 1.70 -2.65 -1.23 0.00 0.00 174.94 173.45 1iv3 n PRO 26 N 4.69 2.22 -3.58 2.79 -0.02 -1.26 -4.08 135.00 135.76 1iv3 n PRO 26 Ca -0.19 0.81 -0.12 0.00 -2.02 0.00 0.00 63.50 61.98 1iv3 n PRO 26 Cb 0.51 -2.61 -0.06 0.00 -0.02 0.00 0.00 33.50 31.32 1iv3 n PRO 26 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1iv3 s SER 27 N 2.09 -0.50 0.00 2.55 0.15 -1.26 -4.89 113.70 111.84 1iv3 s SER 27 Ca 0.83 0.68 0.23 0.00 0.70 0.00 0.00 55.95 58.40 1iv3 s SER 27 Cb -0.66 0.60 0.98 0.00 -1.71 0.00 0.00 66.02 65.23 1iv3 s SER 27 CO 0.42 -0.36 1.73 -0.81 1.20 0.00 0.00 173.24 175.42 1iv3 n PRO 28 N 1.29 0.01 -3.88 5.44 -0.04 -1.26 -4.85 135.00 131.71 1iv3 n PRO 28 Ca -0.13 0.11 -0.11 0.00 -0.04 0.00 0.00 63.50 63.32 1iv3 n PRO 28 Cb 0.57 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.42 1iv3 n PRO 28 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1iv3 s VAL 29 N -2.98 0.07 0.27 0.52 -7.23 -1.26 -1.81 120.40 107.97 1iv3 s VAL 29 Ca 0.11 -0.56 -0.09 0.00 -1.81 0.00 0.00 61.98 59.63 1iv3 s VAL 29 Cb 0.15 -0.33 -0.01 0.00 0.56 0.00 0.00 36.38 36.75 1iv3 s VAL 29 CO 0.41 -0.31 0.44 -0.83 -0.31 0.00 0.00 175.10 174.50 1iv3 s GLY 30 N -1.04 0.88 0.33 2.32 0.00 -0.23 -4.30 107.32 105.28 1iv3 s GLY 30 Ca -0.11 -1.14 -0.27 0.00 0.00 0.00 0.00 44.72 43.20 1iv3 s GLY 30 CO 0.01 -0.82 1.07 0.00 0.00 0.00 0.00 173.10 173.36 1iv3 s ALA 31 N -3.77 3.25 -0.34 3.20 0.00 -1.21 0.28 121.76 123.17 1iv3 s ALA 31 Ca 0.26 0.79 -0.18 0.00 0.00 0.00 0.00 51.96 52.84 1iv3 s ALA 31 Cb 0.00 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 1iv3 s ALA 31 CO 0.12 -0.17 0.51 -1.17 0.00 0.00 0.00 175.76 175.05 1iv3 s LEU 32 N -2.00 4.30 0.00 0.00 0.20 -0.88 -4.78 118.68 115.52 1iv3 s LEU 32 Ca 0.51 0.04 0.00 0.00 0.69 0.00 0.00 54.13 55.37 1iv3 s LEU 32 Cb -0.27 -2.59 0.00 0.00 -0.43 0.00 0.00 46.19 42.90 1iv3 s LEU 32 CO 0.34 -0.45 0.00 0.00 -0.29 0.00 0.00 176.35 175.96 1iv3 n ALA 33 N 5.70 0.00 -0.02 5.97 0.00 -1.26 -4.61 120.51 126.30 1iv3 n ALA 33 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.35 1iv3 n ALA 33 Cb 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.82 1iv3 n ALA 33 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1iv3 n HIS 34 N 0.02 0.73 -1.60 0.00 8.25 -1.26 -4.92 115.22 116.44 1iv3 n HIS 34 Ca 0.00 0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 1iv3 n HIS 34 Cb 0.00 -1.07 0.00 0.00 1.12 0.00 0.00 29.99 30.04 1iv3 n HIS 34 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1iv3 n SER 35 N -2.87 0.00 0.00 0.41 3.41 -1.26 -4.74 113.62 108.57 1iv3 n SER 35 Ca -0.16 -0.43 0.15 0.00 -0.26 0.00 0.00 58.87 58.16 1iv3 n SER 35 Cb 0.96 0.00 0.79 0.00 -0.26 0.00 0.00 64.21 65.70 1iv3 n SER 35 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1iv3 n ASP 36 N -1.30 0.00 -1.82 4.04 3.85 -1.26 -4.92 116.55 115.13 1iv3 n ASP 36 Ca 0.00 -0.39 -0.20 0.00 -0.71 0.00 0.00 54.79 53.49 1iv3 n ASP 36 Cb 0.00 -0.20 -0.05 0.00 -1.35 0.00 0.00 41.12 39.52 1iv3 n ASP 36 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1iv3 n GLY 37 N 1.12 0.87 3.55 6.12 0.00 -1.26 -4.43 105.19 111.17 1iv3 n GLY 37 Ca 0.17 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1iv3 n GLY 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iv3 s ASP 38 N -2.50 5.75 0.33 1.61 -1.08 -1.26 -4.81 116.67 114.72 1iv3 s ASP 38 Ca 0.00 -0.50 0.04 0.00 -0.52 0.00 0.00 52.55 51.56 1iv3 s ASP 38 Cb 0.00 -2.55 0.59 0.00 -1.46 0.00 0.00 42.92 39.49 1iv3 s ASP 38 CO 0.00 -2.13 1.88 0.00 0.52 0.00 0.00 175.17 175.44 1iv3 h ALA 39 N 11.66 1.37 0.47 3.66 0.00 -1.91 -0.66 119.26 133.85 1iv3 h ALA 39 Ca -0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1iv3 h ALA 39 Cb 1.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1iv3 h ALA 39 CO 1.28 0.44 -0.23 0.00 0.00 0.00 0.00 179.25 180.75 1iv3 h ALA 40 N 1.49 -0.63 -0.65 0.00 0.00 -1.89 -0.02 119.26 117.57 1iv3 h ALA 40 Ca 0.12 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1iv3 h ALA 40 Cb 0.30 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1iv3 h ALA 40 CO 0.01 -0.85 0.38 0.52 0.00 0.00 0.00 179.25 179.31 1iv3 h MET 41 N -0.65 0.70 -0.47 0.00 2.86 -1.86 -1.26 114.93 114.25 1iv3 h MET 41 Ca -0.06 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 1iv3 h MET 41 Cb 0.49 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1iv3 h MET 41 CO 0.11 0.47 0.01 0.45 1.06 0.00 0.00 176.91 179.00 1iv3 h HIS 42 N 0.73 0.89 -0.44 -0.22 3.86 -0.94 -0.67 115.15 118.36 1iv3 h HIS 42 Ca 0.27 -0.15 -0.11 0.00 -1.16 0.00 0.00 60.37 59.22 1iv3 h HIS 42 Cb 0.10 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 1iv3 h HIS 42 CO -0.06 0.85 -0.17 0.00 0.86 0.00 0.00 177.93 179.41 1iv3 h ALA 43 N 0.92 0.88 -0.71 2.45 0.00 -0.78 -0.49 119.26 121.53 1iv3 h ALA 43 Ca 0.13 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1iv3 h ALA 43 Cb 0.49 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1iv3 h ALA 43 CO 0.02 0.63 0.17 -0.07 0.00 0.00 0.00 179.25 180.00 1iv3 h LEU 44 N 0.74 1.09 -0.18 0.00 3.38 -1.09 -1.14 115.31 118.10 1iv3 h LEU 44 Ca 0.11 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1iv3 h LEU 44 Cb 0.68 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1iv3 h LEU 44 CO 0.05 1.04 -0.01 0.74 0.09 0.00 0.00 178.44 180.35 1iv3 h THR 45 N 1.08 1.26 -0.90 0.22 2.02 -0.74 -1.10 112.91 114.75 1iv3 h THR 45 Ca 0.22 -0.90 0.03 0.00 0.77 0.00 0.00 66.41 66.53 1iv3 h THR 45 Cb 0.39 1.49 -0.05 0.00 -1.74 0.00 0.00 68.15 68.24 1iv3 h THR 45 CO 0.00 0.27 0.59 0.44 0.37 0.00 0.00 175.52 177.19 1iv3 h ASP 46 N 0.07 0.98 -0.58 4.18 3.32 -1.06 -0.60 116.42 122.74 1iv3 h ASP 46 Ca 0.05 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1iv3 h ASP 46 Cb 0.41 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 1iv3 h ASP 46 CO 0.01 0.68 0.30 0.00 -1.72 0.00 0.00 179.24 178.51 1iv3 h ALA 47 N 1.36 0.75 -0.12 3.45 0.00 -0.87 0.18 119.26 124.01 1iv3 h ALA 47 Ca 0.35 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1iv3 h ALA 47 Cb -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1iv3 h ALA 47 CO -0.11 0.29 0.07 -0.07 0.00 0.00 0.00 179.25 179.44 1iv3 h LEU 48 N 0.79 0.14 -0.48 0.00 3.38 -0.88 -1.43 115.31 116.84 1iv3 h LEU 48 Ca 0.20 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1iv3 h LEU 48 Cb 0.09 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1iv3 h LEU 48 CO -0.03 0.14 0.31 -0.07 0.09 0.00 0.00 178.44 178.88 1iv3 h LEU 49 N 0.13 0.52 -1.16 1.67 3.38 -0.87 -2.40 115.31 116.58 1iv3 h LEU 49 Ca 0.04 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.10 1iv3 h LEU 49 Cb 0.03 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 1iv3 h LEU 49 CO -0.01 0.38 0.59 -1.28 0.09 0.00 0.00 178.44 178.20 1iv3 h SER 50 N 0.63 0.84 0.03 -0.43 0.87 -0.47 -1.28 113.55 113.74 1iv3 h SER 50 Ca 0.18 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1iv3 h SER 50 Cb -0.04 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 1iv3 h SER 50 CO -0.06 0.51 0.00 0.00 -0.53 0.00 0.00 176.83 176.75 1iv3 h ALA 51 N 1.54 1.00 0.00 6.23 0.00 -0.72 -1.59 119.26 125.72 1iv3 h ALA 51 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1iv3 h ALA 51 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1iv3 h ALA 51 CO -0.18 0.00 -0.01 0.66 0.00 0.00 0.00 179.25 179.73 1iv3 n TYR 52 N -2.98 0.00 -1.45 0.00 4.02 -0.60 -4.71 117.16 111.44 1iv3 n TYR 52 Ca -0.03 -0.60 -0.11 0.00 -0.01 0.00 0.00 57.90 57.15 1iv3 n TYR 52 Cb 0.07 -0.07 -0.04 0.00 -0.02 0.00 0.00 39.34 39.28 1iv3 n TYR 52 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1iv3 n GLY 53 N -0.71 1.08 0.03 2.72 0.00 -0.60 -4.89 105.19 102.82 1iv3 n GLY 53 Ca 0.04 -0.49 0.14 0.00 0.00 0.00 0.00 46.02 45.71 1iv3 n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iv3 n LEU 54 N -1.35 0.29 0.00 0.99 4.77 -0.58 -4.99 117.00 116.12 1iv3 n LEU 54 Ca -0.12 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1iv3 n LEU 54 Cb 0.41 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1iv3 n LEU 54 CO 0.17 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1iv3 n GLY 55 N 1.44 0.15 3.66 -0.72 0.00 -1.26 -4.95 105.19 103.51 1iv3 n GLY 55 Ca 0.06 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 1iv3 n GLY 55 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1iv3 s ASP 56 N -4.00 0.47 0.45 1.61 1.47 -1.26 -4.26 116.67 111.15 1iv3 s ASP 56 Ca 0.00 -1.33 0.24 0.00 1.18 0.00 0.00 52.55 52.63 1iv3 s ASP 56 Cb 0.00 0.78 1.01 0.00 -0.34 0.00 0.00 42.92 44.37 1iv3 s ASP 56 CO 0.00 -1.53 1.88 0.16 0.68 0.00 0.00 175.17 176.35 1iv3 h ILE 57 N 2.04 0.63 -0.40 2.11 3.07 -1.92 -1.04 117.51 122.00 1iv3 h ILE 57 Ca -0.31 -1.04 -0.07 0.00 1.55 0.00 0.00 64.86 64.99 1iv3 h ILE 57 Cb 1.24 1.68 -0.02 0.00 -0.27 0.00 0.00 36.82 39.46 1iv3 h ILE 57 CO 0.40 0.22 -0.04 1.23 -1.05 0.00 0.00 178.15 178.91 1iv3 h GLY 58 N 1.71 0.71 0.30 0.16 0.00 -1.97 0.16 103.07 104.15 1iv3 h GLY 58 Ca -0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 1iv3 h GLY 58 CO 0.03 0.44 -0.23 -2.00 0.00 0.00 0.00 176.54 174.78 1iv3 h LEU 59 N 0.62 0.16 0.00 3.11 5.85 -1.78 -3.35 115.31 119.92 1iv3 h LEU 59 Ca 0.12 -0.90 -0.10 0.00 0.84 0.00 0.00 57.88 57.85 1iv3 h LEU 59 Cb 0.45 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1iv3 h LEU 59 CO 0.02 1.04 -1.22 -0.07 -0.34 0.00 0.00 178.44 177.87 1iv3 h LEU 60 N -0.70 0.00 -4.94 2.25 3.38 -1.22 -3.39 115.31 110.69 1iv3 h LEU 60 Ca -0.04 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.43 1iv3 h LEU 60 Cb 1.10 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.44 1iv3 h LEU 60 CO 0.04 0.34 -0.91 0.49 0.09 0.00 0.00 178.44 178.49 1iv3 n PHE 61 N -2.81 2.46 -2.47 1.13 3.72 0.04 -5.04 117.46 114.49 1iv3 n PHE 61 Ca -0.05 -3.22 -0.33 0.00 -0.05 0.00 0.00 57.45 53.80 1iv3 n PHE 61 Cb 0.72 -0.27 -0.04 0.00 -0.94 0.00 0.00 39.48 38.95 1iv3 n PHE 61 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1iv3 s PRO 62 N -3.28 3.89 0.00 -1.08 0.04 -1.25 -4.82 135.00 128.50 1iv3 s PRO 62 Ca 0.41 1.11 0.27 0.00 0.04 0.00 0.00 61.00 62.83 1iv3 s PRO 62 Cb 0.40 -2.12 1.61 0.00 0.04 0.00 0.00 34.50 34.42 1iv3 s PRO 62 CO -0.10 -0.33 1.97 -0.40 0.04 0.00 0.00 177.00 178.19 1iv3 n ASP 63 N -1.30 0.00 0.10 6.66 5.75 -1.26 -0.96 116.55 125.53 1iv3 n ASP 63 Ca 0.08 -0.79 0.12 0.00 -0.01 0.00 0.00 54.79 54.19 1iv3 n ASP 63 Cb 0.54 -0.02 0.45 0.00 -1.03 0.00 0.00 41.12 41.05 1iv3 n ASP 63 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1iv3 n THR 64 N -1.02 0.64 -3.34 2.12 -2.24 -1.26 -4.64 114.28 104.54 1iv3 n THR 64 Ca 0.20 -0.05 -0.41 0.00 -2.27 0.00 0.00 64.05 61.52 1iv3 n THR 64 Cb 0.10 -0.80 -0.09 0.00 -2.10 0.00 0.00 70.33 67.45 1iv3 n THR 64 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iv3 s ASP 65 N -4.18 6.25 0.60 3.42 -1.08 -0.14 -4.93 116.67 116.60 1iv3 s ASP 65 Ca 0.09 -0.06 0.33 0.00 -0.52 0.00 0.00 52.55 52.39 1iv3 s ASP 65 Cb 0.12 -2.23 1.92 0.00 -1.46 0.00 0.00 42.92 41.27 1iv3 s ASP 65 CO 0.50 -0.37 2.25 1.55 0.52 0.00 0.00 175.17 179.63 1iv3 h PRO 66 N 8.41 0.00 0.00 4.34 0.13 -1.86 0.14 132.00 143.16 1iv3 h PRO 66 Ca -0.29 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.82 1iv3 h PRO 66 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1iv3 h PRO 66 CO 0.72 0.02 -0.09 0.00 -0.23 0.00 0.00 178.00 178.42 1iv3 h ARG 67 N 0.00 0.00 0.00 0.86 3.08 -1.93 -3.31 114.38 113.08 1iv3 h ARG 67 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1iv3 h ARG 67 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1iv3 h ARG 67 CO 0.00 0.09 -1.30 0.91 -1.07 0.00 0.00 179.97 178.60 1iv3 n TRP 68 N -4.36 0.00 -1.74 3.04 5.03 -0.05 -4.86 117.44 114.49 1iv3 n TRP 68 Ca -0.03 0.00 -0.42 0.00 3.03 0.00 0.00 57.50 60.08 1iv3 n TRP 68 Cb 0.17 -0.17 -0.01 0.00 -1.03 0.00 0.00 31.31 30.26 1iv3 n TRP 68 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 1iv3 n ARG 69 N -1.85 2.56 -0.13 -0.99 0.63 -0.68 -1.93 116.66 114.27 1iv3 n ARG 69 Ca -0.03 0.90 0.00 0.00 -0.92 0.00 0.00 57.85 57.80 1iv3 n ARG 69 Cb 0.31 -2.63 0.00 0.00 0.45 0.00 0.00 32.46 30.59 1iv3 n ARG 69 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1iv3 n GLY 70 N 1.34 2.33 3.78 5.14 0.00 -1.26 -5.00 105.19 111.51 1iv3 n GLY 70 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1iv3 n GLY 70 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iv3 s GLU 71 N -0.02 3.89 0.54 1.61 0.41 -0.81 -5.02 118.70 119.29 1iv3 s GLU 71 Ca 0.00 1.60 -0.22 0.00 -0.41 0.00 0.00 54.97 55.94 1iv3 s GLU 71 Cb 0.00 -2.38 -0.05 0.00 -1.78 0.00 0.00 34.13 29.91 1iv3 s GLU 71 CO 0.00 -0.40 1.30 0.54 -0.49 0.00 0.00 175.26 176.22 1iv3 n ARG 72 N -0.46 1.63 0.28 1.61 1.74 -1.26 -4.72 116.66 115.48 1iv3 n ARG 72 Ca 0.07 0.60 0.14 0.00 -0.77 0.00 0.00 57.85 57.89 1iv3 n ARG 72 Cb 0.50 -2.51 0.85 0.00 -1.02 0.00 0.00 32.46 30.27 1iv3 n ARG 72 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1iv3 h SER 73 N 1.40 0.00 -0.01 0.55 0.02 -1.96 -1.26 113.55 112.28 1iv3 h SER 73 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1iv3 h SER 73 Cb 1.31 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.85 1iv3 h SER 73 CO 0.57 0.05 0.01 -0.08 -1.14 0.00 0.00 176.83 176.24 1iv3 h GLU 74 N 0.00 0.00 -0.30 3.45 4.81 -1.96 -1.55 114.58 119.03 1iv3 h GLU 74 Ca -0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1iv3 h GLU 74 Cb 0.14 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1iv3 h GLU 74 CO 0.01 0.00 -0.14 0.28 -0.73 0.00 0.00 179.01 178.43 1iv3 h VAL 75 N 0.00 1.24 -0.24 0.32 2.07 -1.59 -0.51 116.25 117.54 1iv3 h VAL 75 Ca 0.01 -1.07 -0.09 0.00 0.82 0.00 0.00 66.70 66.37 1iv3 h VAL 75 Cb 0.02 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1iv3 h VAL 75 CO -0.00 0.35 -0.19 -0.26 0.02 0.00 0.00 177.57 177.49 1iv3 h PHE 76 N 0.48 0.65 -0.42 1.57 0.04 -1.43 -1.85 116.94 115.98 1iv3 h PHE 76 Ca 0.09 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.67 1iv3 h PHE 76 Cb 0.53 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 1iv3 h PHE 76 CO 0.02 0.86 0.27 1.25 -0.60 0.00 0.00 178.31 180.11 1iv3 h LEU 77 N 0.25 0.49 -1.10 1.54 5.85 -0.98 -0.60 115.31 120.77 1iv3 h LEU 77 Ca 0.04 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1iv3 h LEU 77 Cb 0.73 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1iv3 h LEU 77 CO 0.05 0.38 0.13 0.03 -0.34 0.00 0.00 178.44 178.69 1iv3 h ARG 78 N 0.57 0.77 -0.63 1.25 3.08 -1.11 -0.17 114.38 118.13 1iv3 h ARG 78 Ca 0.15 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 1iv3 h ARG 78 Cb -0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 1iv3 h ARG 78 CO -0.03 0.69 0.05 1.49 -1.07 0.00 0.00 179.97 181.09 1iv3 h GLU 79 N 0.75 1.09 -0.76 0.04 4.57 -0.77 -0.25 114.58 119.25 1iv3 h GLU 79 Ca 0.17 -0.32 -0.03 0.00 -1.18 0.00 0.00 59.36 57.99 1iv3 h GLU 79 Cb 0.26 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 1iv3 h GLU 79 CO -0.00 1.03 0.35 0.00 -1.18 0.00 0.00 179.01 179.21 1iv3 h ALA 80 N 1.01 1.18 -0.93 2.92 0.00 -0.62 -0.27 119.26 122.56 1iv3 h ALA 80 Ca 0.19 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1iv3 h ALA 80 Cb 0.51 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1iv3 h ALA 80 CO 0.02 0.61 0.58 0.52 0.00 0.00 0.00 179.25 180.99 1iv3 h MET 81 N 1.09 1.25 -0.44 0.00 2.86 -0.64 -1.24 114.93 117.81 1iv3 h MET 81 Ca 0.26 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.76 1iv3 h MET 81 Cb 0.13 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1iv3 h MET 81 CO -0.03 0.86 0.11 -0.09 1.06 0.00 0.00 176.91 178.82 1iv3 h ARG 82 N 1.28 0.70 -0.46 1.72 2.43 0.29 -0.91 114.38 119.43 1iv3 h ARG 82 Ca 0.34 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1iv3 h ARG 82 Cb -0.09 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1iv3 h ARG 82 CO -0.07 0.70 0.18 -0.07 -1.51 0.00 0.00 179.97 179.21 1iv3 h LEU 83 N 0.57 0.63 -0.49 3.80 3.38 -0.80 -0.34 115.31 122.05 1iv3 h LEU 83 Ca 0.14 -0.17 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 1iv3 h LEU 83 Cb 0.31 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1iv3 h LEU 83 CO 0.00 0.62 -0.72 -0.37 0.09 0.00 0.00 178.44 178.06 1iv3 h VAL 84 N 0.59 1.43 -0.59 1.22 -1.51 -1.08 -3.01 116.25 113.30 1iv3 h VAL 84 Ca 0.15 -2.26 -0.05 0.00 -1.23 0.00 0.00 66.70 63.31 1iv3 h VAL 84 Cb 0.19 2.20 -0.03 0.00 -2.13 0.00 0.00 31.29 31.52 1iv3 h VAL 84 CO -0.01 0.66 0.16 -0.33 -1.23 0.00 0.00 177.57 176.81 1iv3 h GLU 85 N 0.15 0.90 0.00 5.19 5.08 -0.98 0.72 114.58 125.64 1iv3 h GLU 85 Ca -0.02 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1iv3 h GLU 85 Cb 1.28 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1iv3 h GLU 85 CO 0.11 0.80 -0.00 0.00 -1.00 0.00 0.00 179.01 178.92 1iv3 h ALA 86 N 1.30 1.00 -0.61 3.43 0.00 -0.93 -1.17 119.26 122.27 1iv3 h ALA 86 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1iv3 h ALA 86 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1iv3 h ALA 86 CO -0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1iv3 n ARG 87 N -3.09 3.58 -0.31 0.00 1.74 0.15 -4.91 116.66 113.83 1iv3 n ARG 87 Ca -0.01 -2.70 0.00 0.00 -0.77 0.00 0.00 57.85 54.37 1iv3 n ARG 87 Cb 0.18 -1.87 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 1iv3 n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iv3 n GLY 88 N 1.10 0.75 3.79 -0.13 0.00 -0.44 -5.07 105.19 105.19 1iv3 n GLY 88 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 1iv3 n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iv3 s ALA 89 N -2.31 2.98 -0.30 4.61 0.00 -0.64 -4.98 121.76 121.12 1iv3 s ALA 89 Ca 0.00 0.67 0.03 0.00 0.00 0.00 0.00 51.96 52.66 1iv3 s ALA 89 Cb 0.00 -3.27 0.08 0.00 0.00 0.00 0.00 23.12 19.93 1iv3 s ALA 89 CO 0.00 -0.28 -0.01 0.15 0.00 0.00 0.00 175.76 175.62 1iv3 s LYS 90 N -2.84 1.72 0.29 0.00 3.01 -1.26 -4.45 119.74 116.20 1iv3 s LYS 90 Ca 0.62 -1.59 -0.30 0.00 -1.01 0.00 0.00 55.97 53.69 1iv3 s LYS 90 Cb -0.20 -2.99 -0.12 0.00 -1.01 0.00 0.00 37.83 33.51 1iv3 s LYS 90 CO 0.24 -0.79 1.56 -0.11 0.51 0.00 0.00 175.35 176.76 1iv3 n LEU 91 N 4.37 4.14 -0.04 3.17 7.94 -1.26 -0.43 117.00 134.89 1iv3 n LEU 91 Ca -0.04 1.15 -0.06 0.00 -1.11 0.00 0.00 56.01 55.95 1iv3 n LEU 91 Cb 0.42 -1.56 -0.05 0.00 0.53 0.00 0.00 43.42 42.76 1iv3 n LEU 91 CO 0.21 0.03 -0.79 -0.11 -1.11 0.00 0.00 177.39 175.61 1iv3 n LEU 92 N 2.10 2.30 -3.60 -1.96 7.94 0.04 -4.82 117.00 119.00 1iv3 n LEU 92 Ca 0.09 -0.04 -0.16 0.00 -1.11 0.00 0.00 56.01 54.79 1iv3 n LEU 92 Cb 0.36 -0.21 -0.07 0.00 0.53 0.00 0.00 43.42 44.03 1iv3 n LEU 92 CO 0.64 0.55 0.32 -1.58 -1.11 0.00 0.00 177.39 176.21 1iv3 s GLN 93 N -2.19 0.90 -0.03 1.96 0.74 -0.79 -4.87 119.66 115.39 1iv3 s GLN 93 Ca -0.11 0.29 0.02 0.00 0.05 0.00 0.00 55.36 55.61 1iv3 s GLN 93 Cb 0.03 0.42 0.01 0.00 1.10 0.00 0.00 33.01 34.57 1iv3 s GLN 93 CO 0.24 -0.25 -0.07 0.00 -0.55 0.00 0.00 175.29 174.66 1iv3 s ALA 94 N -0.90 0.76 -0.10 1.58 0.00 -0.70 -0.99 121.76 121.41 1iv3 s ALA 94 Ca -0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 51.96 51.65 1iv3 s ALA 94 Cb -0.02 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.78 1iv3 s ALA 94 CO 0.07 0.08 -0.06 0.45 0.00 0.00 0.00 175.76 176.30 1iv3 s SER 95 N 0.46 1.93 0.07 0.00 0.15 -0.38 -0.19 113.70 115.73 1iv3 s SER 95 Ca -0.07 -0.24 -0.07 0.00 0.70 0.00 0.00 55.95 56.27 1iv3 s SER 95 Cb -0.11 -0.72 -0.01 0.00 -1.71 0.00 0.00 66.02 63.48 1iv3 s SER 95 CO 0.01 -0.12 0.15 -1.48 1.20 0.00 0.00 173.24 172.99 1iv3 s LEU 96 N 1.64 1.61 -0.09 3.45 2.34 0.16 -0.90 118.68 126.89 1iv3 s LEU 96 Ca 0.02 -0.65 0.04 0.00 0.06 0.00 0.00 54.13 53.61 1iv3 s LEU 96 Cb -0.13 0.86 -0.00 0.00 -0.56 0.00 0.00 46.19 46.36 1iv3 s LEU 96 CO -0.06 -0.66 -0.24 -0.69 -1.06 0.00 0.00 176.35 173.64 1iv3 s VAL 97 N -3.56 2.10 -0.16 1.48 1.01 0.08 -1.55 120.40 119.80 1iv3 s VAL 97 Ca 0.03 -1.02 -0.05 0.00 0.00 0.00 0.00 61.98 60.94 1iv3 s VAL 97 Cb 0.04 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1iv3 s VAL 97 CO -0.09 0.56 -0.01 -0.76 0.00 0.00 0.00 175.10 174.80 1iv3 s LEU 98 N 0.22 3.39 -0.13 3.92 1.43 -0.69 -1.56 118.68 125.27 1iv3 s LEU 98 Ca -0.15 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1iv3 s LEU 98 Cb -0.17 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.23 1iv3 s LEU 98 CO 0.08 0.17 -0.18 -0.89 0.23 0.00 0.00 176.35 175.75 1iv3 s THR 99 N 0.38 1.76 -0.18 5.49 2.01 0.42 -0.66 115.64 124.86 1iv3 s THR 99 Ca -0.02 -0.80 -0.29 0.00 0.31 0.00 0.00 61.69 60.89 1iv3 s THR 99 Cb -0.14 -1.59 0.12 0.00 0.01 0.00 0.00 72.50 70.91 1iv3 s THR 99 CO 0.02 0.49 0.99 -1.48 -0.69 0.00 0.00 174.62 173.95 1iv3 s LEU 100 N 0.95 -0.41 0.26 4.42 2.34 -0.31 -0.05 118.68 125.88 1iv3 s LEU 100 Ca -0.06 0.53 0.16 0.00 0.06 0.00 0.00 54.13 54.83 1iv3 s LEU 100 Cb -0.15 1.91 0.05 0.00 -0.56 0.00 0.00 46.19 47.44 1iv3 s LEU 100 CO -0.03 -0.31 1.36 0.44 -1.06 0.00 0.00 176.35 176.75 1iv3 h ASP 101 N 2.98 0.00 -5.00 1.48 5.19 -1.83 -3.35 116.42 115.89 1iv3 h ASP 101 Ca -0.21 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.14 1iv3 h ASP 101 Cb 1.16 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.50 1iv3 h ASP 101 CO 0.27 0.47 0.11 0.00 -3.12 0.00 0.00 179.24 176.97 1iv3 s ARG 102 N -2.98 1.05 0.78 3.56 1.70 -1.26 -4.76 118.95 117.03 1iv3 s ARG 102 Ca 0.03 0.00 -0.11 0.00 -0.47 0.00 0.00 55.73 55.19 1iv3 s ARG 102 Cb 0.08 0.49 0.07 0.00 -0.57 0.00 0.00 34.95 35.01 1iv3 s ARG 102 CO 0.75 -0.36 1.14 -1.25 -1.08 0.00 0.00 175.30 174.51 1iv3 s PRO 103 N -1.83 2.10 0.23 3.89 0.04 -1.26 -4.94 135.00 133.23 1iv3 s PRO 103 Ca -0.08 0.08 -0.31 0.00 0.04 0.00 0.00 61.00 60.73 1iv3 s PRO 103 Cb -0.01 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.43 1iv3 s PRO 103 CO 0.04 -1.47 1.58 0.15 0.04 0.00 0.00 177.00 177.33 1iv3 s LYS 104 N -5.49 4.18 0.06 4.56 1.02 -1.26 -4.91 119.74 117.89 1iv3 s LYS 104 Ca 0.61 2.46 0.22 0.00 0.02 0.00 0.00 55.97 59.28 1iv3 s LYS 104 Cb -0.11 -3.09 -0.11 0.00 -0.52 0.00 0.00 37.83 34.00 1iv3 s LYS 104 CO 0.48 -0.60 0.84 1.28 -0.92 0.00 0.00 175.35 176.43 1iv3 n LEU 105 N 3.10 0.48 -0.33 3.17 4.77 -1.26 -4.50 117.00 122.42 1iv3 n LEU 105 Ca 0.11 0.05 -0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1iv3 n LEU 105 Cb 0.38 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.48 1iv3 n LEU 105 CO 0.62 -0.02 0.62 1.23 -1.33 0.00 0.00 177.39 178.52 1iv3 h GLY 106 N 4.25 0.21 2.00 -0.72 0.00 -2.00 0.19 103.07 107.00 1iv3 h GLY 106 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1iv3 h GLY 106 CO 0.00 -0.25 0.00 -1.05 0.00 0.00 0.00 176.54 175.24 1iv3 n PRO 107 N -5.50 0.12 -0.20 4.80 -0.02 -1.26 -1.76 135.00 131.18 1iv3 n PRO 107 Ca 0.10 0.53 0.07 0.00 -2.02 0.00 0.00 63.50 62.19 1iv3 n PRO 107 Cb 0.41 -1.82 0.18 0.00 -0.02 0.00 0.00 33.50 32.25 1iv3 n PRO 107 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1iv3 n HIS 108 N -2.05 0.51 -0.08 6.00 8.25 0.65 -4.71 115.22 123.79 1iv3 n HIS 108 Ca 0.00 -0.41 -0.07 0.00 -0.26 0.00 0.00 57.72 56.98 1iv3 n HIS 108 Cb 0.08 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.18 1iv3 n HIS 108 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1iv3 h ARG 109 N 2.75 0.14 -0.11 -0.41 2.43 -1.15 0.43 114.38 118.46 1iv3 h ARG 109 Ca 0.00 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1iv3 h ARG 109 Cb 0.78 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 1iv3 h ARG 109 CO 0.00 0.09 0.07 -0.22 -1.51 0.00 0.00 179.97 178.40 1iv3 h LYS 110 N 0.15 0.15 -0.56 0.20 3.64 -1.84 -0.24 116.57 118.07 1iv3 h LYS 110 Ca 0.14 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1iv3 h LYS 110 Cb 0.16 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1iv3 h LYS 110 CO -0.20 0.15 0.35 0.00 -2.27 0.00 0.00 179.45 177.48 1iv3 h ALA 111 N 0.99 0.71 -0.09 5.00 0.00 -1.80 0.13 119.26 124.21 1iv3 h ALA 111 Ca 0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1iv3 h ALA 111 Cb 0.04 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1iv3 h ALA 111 CO -0.01 0.19 0.05 -0.07 0.00 0.00 0.00 179.25 179.40 1iv3 h LEU 112 N 0.75 0.12 -0.74 0.00 3.38 -0.65 -0.72 115.31 117.46 1iv3 h LEU 112 Ca 0.20 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1iv3 h LEU 112 Cb -0.03 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1iv3 h LEU 112 CO -0.04 0.21 0.31 0.58 0.09 0.00 0.00 178.44 179.58 1iv3 h VAL 113 N 0.03 1.25 -0.91 1.22 2.07 -0.91 -0.94 116.25 118.06 1iv3 h VAL 113 Ca 0.03 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.79 1iv3 h VAL 113 Cb 0.12 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 1iv3 h VAL 113 CO -0.00 0.31 0.59 0.44 0.02 0.00 0.00 177.57 178.93 1iv3 h ASP 114 N 1.05 1.06 -0.23 0.57 3.32 -0.52 -0.24 116.42 121.43 1iv3 h ASP 114 Ca 0.25 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 1iv3 h ASP 114 Cb 0.19 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1iv3 h ASP 114 CO -0.02 0.78 -0.04 -1.28 -1.72 0.00 0.00 179.24 176.95 1iv3 h SER 115 N 1.24 0.44 -0.92 6.45 0.87 -0.57 -1.48 113.55 119.59 1iv3 h SER 115 Ca 0.33 -0.35 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1iv3 h SER 115 Cb -0.13 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 61.67 1iv3 h SER 115 CO -0.07 0.70 0.52 -0.07 -0.53 0.00 0.00 176.83 177.38 1iv3 h LEU 116 N 0.19 1.13 -0.67 2.23 3.38 -0.82 0.12 115.31 120.87 1iv3 h LEU 116 Ca 0.06 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1iv3 h LEU 116 Cb 0.49 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1iv3 h LEU 116 CO 0.02 0.89 0.44 -1.28 0.09 0.00 0.00 178.44 178.60 1iv3 h SER 117 N 1.28 0.76 -0.16 -0.43 0.87 -0.84 -0.79 113.55 114.25 1iv3 h SER 117 Ca 0.33 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.81 1iv3 h SER 117 Cb -0.00 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.76 1iv3 h SER 117 CO -0.06 0.55 -0.12 -0.09 -0.53 0.00 0.00 176.83 176.59 1iv3 h ARG 118 N 0.90 0.36 -0.63 2.24 2.43 -0.81 0.50 114.38 119.38 1iv3 h ARG 118 Ca 0.25 -0.17 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 1iv3 h ARG 118 Cb -0.10 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1iv3 h ARG 118 CO -0.06 0.71 0.04 -0.07 -1.51 0.00 0.00 179.97 179.08 1iv3 h LEU 119 N 0.01 1.05 -1.68 3.80 4.07 -0.85 -3.04 115.31 118.67 1iv3 h LEU 119 Ca 0.03 -0.28 0.00 0.00 0.08 0.00 0.00 57.88 57.71 1iv3 h LEU 119 Cb 0.62 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1iv3 h LEU 119 CO 0.03 1.08 -0.10 0.23 -1.08 0.00 0.00 178.44 178.60 1iv3 n MET 120 N -4.19 2.05 -3.73 1.13 2.81 -0.31 -4.96 117.12 109.92 1iv3 n MET 120 Ca 0.03 -1.68 -0.22 0.00 -1.81 0.00 0.00 57.70 54.02 1iv3 n MET 120 Cb 0.33 -1.47 0.03 0.00 -0.71 0.00 0.00 33.22 31.41 1iv3 n MET 120 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1iv3 n ARG 121 N 0.99 -5.01 -4.38 0.03 1.74 0.03 -5.00 116.66 105.05 1iv3 n ARG 121 Ca 0.13 0.62 -0.29 0.00 -0.77 0.00 0.00 57.85 57.54 1iv3 n ARG 121 Cb 0.56 -5.22 -0.13 0.00 -1.02 0.00 0.00 32.46 26.65 1iv3 n ARG 121 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1iv3 s LEU 122 N -6.76 2.38 0.81 0.55 1.43 -0.38 -5.04 118.68 111.67 1iv3 s LEU 122 Ca 0.09 -0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 52.34 1iv3 s LEU 122 Cb -0.05 -1.25 0.08 0.00 0.03 0.00 0.00 46.19 45.00 1iv3 s LEU 122 CO 0.81 0.17 1.11 -2.16 0.23 0.00 0.00 176.35 176.52 1iv3 s PRO 123 N -2.14 1.89 0.44 1.29 0.04 -1.26 -4.59 135.00 130.67 1iv3 s PRO 123 Ca 0.15 1.32 0.12 0.00 0.04 0.00 0.00 61.00 62.63 1iv3 s PRO 123 Cb -0.10 -1.84 0.99 0.00 0.04 0.00 0.00 34.50 33.59 1iv3 s PRO 123 CO 0.07 -1.95 2.03 1.96 0.04 0.00 0.00 177.00 179.15 1iv3 h GLN 124 N -1.28 0.17 0.00 4.56 1.08 -1.95 -1.62 115.11 116.06 1iv3 h GLN 124 Ca -0.44 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 1iv3 h GLN 124 Cb 1.25 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 1iv3 h GLN 124 CO 0.48 0.22 0.00 -0.40 -0.95 0.00 0.00 178.83 178.18 1iv3 n ASP 125 N -4.40 0.00 -1.00 1.46 5.68 -1.26 -2.00 116.55 115.03 1iv3 n ASP 125 Ca -0.01 -0.14 0.09 0.00 -0.50 0.00 0.00 54.79 54.23 1iv3 n ASP 125 Cb 0.17 -0.26 0.23 0.00 -1.14 0.00 0.00 41.12 40.11 1iv3 n ASP 125 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1iv3 n ARG 126 N -1.26 2.62 -3.68 0.11 5.12 -0.62 -4.80 116.66 114.15 1iv3 n ARG 126 Ca 0.13 -2.29 -0.39 0.00 -1.93 0.00 0.00 57.85 53.37 1iv3 n ARG 126 Cb 0.20 -1.43 -0.12 0.00 -1.16 0.00 0.00 32.46 29.96 1iv3 n ARG 126 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1iv3 s ILE 127 N -1.07 4.08 -0.63 0.55 -1.09 -0.85 -1.73 121.20 120.47 1iv3 s ILE 127 Ca 0.36 -1.12 -0.07 0.00 -2.23 0.00 0.00 60.65 57.58 1iv3 s ILE 127 Cb 0.19 -3.35 0.16 0.00 -1.58 0.00 0.00 42.46 37.89 1iv3 s ILE 127 CO 0.25 -0.27 0.49 -0.83 -1.23 0.00 0.00 174.94 173.36 1iv3 s GLY 128 N 1.58 2.41 -0.23 6.18 0.00 0.73 -5.00 107.32 113.00 1iv3 s GLY 128 Ca 0.00 -3.07 -0.07 0.00 0.00 0.00 0.00 44.72 41.59 1iv3 s GLY 128 CO 0.04 1.14 0.05 -2.27 0.00 0.00 0.00 173.10 172.06 1iv3 s LEU 129 N 0.40 3.41 0.17 0.66 2.96 -1.26 0.40 118.68 125.41 1iv3 s LEU 129 Ca 0.14 -0.18 0.08 0.00 -0.22 0.00 0.00 54.13 53.95 1iv3 s LEU 129 Cb -0.19 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 1iv3 s LEU 129 CO -0.04 0.02 -0.17 0.42 -1.32 0.00 0.00 176.35 175.26 1iv3 s THR 130 N 1.30 1.73 -0.03 3.68 -4.23 -0.60 -4.99 115.64 112.51 1iv3 s THR 130 Ca 0.05 -1.96 0.07 0.00 -1.18 0.00 0.00 61.69 58.67 1iv3 s THR 130 Cb -0.15 -1.84 -0.02 0.00 1.34 0.00 0.00 72.50 71.84 1iv3 s THR 130 CO 0.03 -0.39 -0.24 -0.36 -0.54 0.00 0.00 174.62 173.11 1iv3 s PHE 131 N -2.27 2.20 0.05 3.99 0.08 -1.26 -1.70 117.98 119.07 1iv3 s PHE 131 Ca 0.16 -0.50 -0.01 0.00 0.12 0.00 0.00 56.93 56.71 1iv3 s PHE 131 Cb -0.04 -1.43 -0.04 0.00 -0.57 0.00 0.00 43.02 40.94 1iv3 s PHE 131 CO 0.06 -0.09 -0.03 0.15 -0.10 0.00 0.00 175.22 175.20 1iv3 s LYS 132 N -0.42 0.60 0.36 0.44 -0.14 0.17 -4.97 119.74 115.78 1iv3 s LYS 132 Ca 0.05 -1.16 0.07 0.00 -1.36 0.00 0.00 55.97 53.58 1iv3 s LYS 132 Cb -0.11 0.15 -0.02 0.00 -1.68 0.00 0.00 37.83 36.17 1iv3 s LYS 132 CO 0.00 -0.09 0.33 0.95 -0.76 0.00 0.00 175.35 175.78 1iv3 s THR 133 N -3.58 3.33 -2.10 2.17 -4.23 -1.26 -1.17 115.64 108.81 1iv3 s THR 133 Ca 0.05 -1.34 0.28 0.00 -1.18 0.00 0.00 61.69 59.50 1iv3 s THR 133 Cb 0.05 -3.14 0.54 0.00 1.34 0.00 0.00 72.50 71.29 1iv3 s THR 133 CO -0.08 -0.13 1.81 -1.54 -0.54 0.00 0.00 174.62 174.14 1iv3 n SER 134 N -1.44 0.96 -3.27 3.99 3.41 -1.26 -4.78 113.62 111.23 1iv3 n SER 134 Ca -0.00 -1.11 -0.23 0.00 -0.26 0.00 0.00 58.87 57.26 1iv3 n SER 134 Cb 0.60 0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.57 1iv3 n SER 134 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1iv3 n GLU 135 N -0.40 -4.18 -0.99 4.33 -0.58 -1.26 -0.69 120.64 116.85 1iv3 n GLU 135 Ca 0.18 0.65 0.00 0.00 -0.42 0.00 0.00 57.16 57.57 1iv3 n GLU 135 Cb 0.30 -5.44 0.00 0.00 -0.57 0.00 0.00 31.44 25.73 1iv3 n GLU 135 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iv3 n GLY 136 N -1.35 0.93 0.27 0.62 0.00 -1.26 -4.88 105.19 99.52 1iv3 n GLY 136 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 1iv3 n GLY 136 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1iv3 h LEU 137 N 0.00 0.89 -5.87 0.99 5.85 -1.31 -3.38 115.31 112.48 1iv3 h LEU 137 Ca 0.00 -0.28 -0.51 0.00 0.84 0.00 0.00 57.88 57.92 1iv3 h LEU 137 Cb 0.00 -0.24 -0.36 0.00 0.37 0.00 0.00 40.66 40.44 1iv3 h LEU 137 CO 0.00 0.95 -1.03 0.00 -0.34 0.00 0.00 178.44 178.02 1iv3 n ALA 138 N -2.43 1.92 1.00 1.25 0.00 -1.26 -4.99 120.51 115.99 1iv3 n ALA 138 Ca 0.02 -3.14 0.11 0.00 0.00 0.00 0.00 53.44 50.43 1iv3 n ALA 138 Cb 0.29 -0.88 0.55 0.00 0.00 0.00 0.00 19.45 19.41 1iv3 n ALA 138 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1iv3 n PRO 139 N 1.44 0.24 -0.35 0.00 -0.04 -1.26 -3.03 135.00 132.00 1iv3 n PRO 139 Ca 0.19 0.08 0.07 0.00 -0.04 0.00 0.00 63.50 63.81 1iv3 n PRO 139 Cb 0.54 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.64 1iv3 n PRO 139 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1iv3 n SER 140 N -1.34 1.85 -4.22 3.54 7.64 -1.26 -4.70 113.62 115.13 1iv3 n SER 140 Ca 0.09 -3.16 -0.17 0.00 1.01 0.00 0.00 58.87 56.65 1iv3 n SER 140 Cb 0.20 -0.43 -0.11 0.00 -1.01 0.00 0.00 64.21 62.86 1iv3 n SER 140 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1iv3 s HIS 141 N -2.53 1.30 -0.17 1.43 3.76 -1.17 0.80 115.29 118.70 1iv3 s HIS 141 Ca 0.31 -0.57 -0.09 0.00 -0.15 0.00 0.00 55.06 54.56 1iv3 s HIS 141 Cb 0.28 -0.69 -0.05 0.00 1.11 0.00 0.00 32.58 33.24 1iv3 s HIS 141 CO -0.01 0.10 0.12 0.54 -0.85 0.00 0.00 174.74 174.63 1iv3 s VAL 142 N -2.14 5.29 0.06 -0.90 0.11 -0.25 -4.51 120.40 118.06 1iv3 s VAL 142 Ca 0.07 0.14 0.08 0.00 -2.93 0.00 0.00 61.98 59.35 1iv3 s VAL 142 Cb -0.05 -3.38 -0.03 0.00 -1.53 0.00 0.00 36.38 31.40 1iv3 s VAL 142 CO 0.02 0.49 -0.23 -1.10 -3.33 0.00 0.00 175.10 170.95 1iv3 s GLN 143 N -0.01 1.48 0.00 1.54 -0.21 0.93 -1.63 119.66 121.77 1iv3 s GLN 143 Ca 0.09 -1.07 0.03 0.00 0.02 0.00 0.00 55.36 54.43 1iv3 s GLN 143 Cb -0.11 -1.68 -0.01 0.00 1.00 0.00 0.00 33.01 32.20 1iv3 s GLN 143 CO -0.00 0.42 -0.09 0.00 -2.12 0.00 0.00 175.29 173.51 1iv3 s ALA 144 N -0.88 0.71 -0.02 6.09 0.00 0.61 -0.44 121.76 127.83 1iv3 s ALA 144 Ca 0.09 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.63 1iv3 s ALA 144 Cb -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1iv3 s ALA 144 CO 0.03 0.15 -0.05 1.03 0.00 0.00 0.00 175.76 176.92 1iv3 s ARG 145 N -0.44 0.53 0.01 0.00 0.52 -0.60 -1.23 118.95 117.74 1iv3 s ARG 145 Ca 0.02 -0.16 0.01 0.00 -0.52 0.00 0.00 55.73 55.08 1iv3 s ARG 145 Cb -0.04 -0.54 -0.01 0.00 0.52 0.00 0.00 34.95 34.88 1iv3 s ARG 145 CO -0.00 0.05 -0.05 0.00 0.02 0.00 0.00 175.30 175.33 1iv3 s ALA 146 N 0.21 0.37 -0.05 2.13 0.00 0.78 -0.74 121.76 124.46 1iv3 s ALA 146 Ca -0.02 -0.31 0.06 0.00 0.00 0.00 0.00 51.96 51.69 1iv3 s ALA 146 Cb -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 1iv3 s ALA 146 CO -0.00 0.05 -0.24 0.08 0.00 0.00 0.00 175.76 175.65 1iv3 s VAL 147 N -0.40 2.18 0.17 0.00 1.01 -0.08 -0.90 120.40 122.39 1iv3 s VAL 147 Ca -0.01 -1.03 0.11 0.00 0.00 0.00 0.00 61.98 61.05 1iv3 s VAL 147 Cb -0.04 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1iv3 s VAL 147 CO -0.00 0.57 -0.25 0.68 0.00 0.00 0.00 175.10 176.10 1iv3 s VAL 148 N -0.26 2.31 -0.04 2.92 -7.23 0.28 -1.25 120.40 117.12 1iv3 s VAL 148 Ca -0.00 -1.95 0.04 0.00 -1.81 0.00 0.00 61.98 58.26 1iv3 s VAL 148 Cb -0.13 -2.08 -0.00 0.00 0.56 0.00 0.00 36.38 34.73 1iv3 s VAL 148 CO 0.03 -0.06 -0.17 -0.22 -0.31 0.00 0.00 175.10 174.37 1iv3 s LEU 149 N -2.49 1.90 -0.00 1.32 2.96 -0.16 -1.44 118.68 120.76 1iv3 s LEU 149 Ca 0.19 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 1iv3 s LEU 149 Cb -0.08 -0.96 -0.01 0.00 0.50 0.00 0.00 46.19 45.64 1iv3 s LEU 149 CO 0.09 0.14 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.43 1iv3 s LEU 150 N 0.09 2.03 0.00 -0.68 1.02 -0.37 -0.78 118.68 119.99 1iv3 s LEU 150 Ca -0.05 -0.15 0.00 0.00 0.02 0.00 0.00 54.13 53.95 1iv3 s LEU 150 Cb -0.12 -0.34 0.00 0.00 0.02 0.00 0.00 46.19 45.75 1iv3 s LEU 150 CO 0.02 0.07 0.00 0.47 0.02 0.00 0.00 176.35 176.93