#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iu3 n LEU 3 N 0.00 1.97 -0.20 2.45 -0.00 -1.26 -4.18 117.00 115.78 1iu3 n LEU 3 Ca 0.00 -0.71 0.00 0.00 -0.00 0.00 0.00 56.01 55.30 1iu3 n LEU 3 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.40 1iu3 n LEU 3 CO 0.00 0.36 0.13 0.61 -0.00 0.00 0.00 177.39 178.50 1iu3 n GLY 4 N 1.40 -0.00 0.10 1.47 0.00 -1.26 -1.20 105.19 105.69 1iu3 n GLY 4 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 1iu3 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1iu3 h SER 5 N 0.26 0.00 -0.24 1.61 0.87 -2.01 -2.97 113.55 111.08 1iu3 h SER 5 Ca 0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 1iu3 h SER 5 Cb 0.07 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1iu3 h SER 5 CO 0.00 0.76 -0.11 0.00 -0.53 0.00 0.00 176.83 176.94 1iu3 h ALA 6 N 1.24 1.13 -0.07 6.23 0.00 -1.51 -0.85 119.26 125.44 1iu3 h ALA 6 Ca -0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1iu3 h ALA 6 Cb 1.61 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1iu3 h ALA 6 CO 0.09 0.55 0.02 0.52 0.00 0.00 0.00 179.25 180.43 1iu3 h MET 7 N 0.58 0.10 -0.48 0.00 2.86 -1.68 -2.37 114.93 113.94 1iu3 h MET 7 Ca 0.10 -0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.81 1iu3 h MET 7 Cb 0.54 -0.01 -0.10 0.00 0.06 0.00 0.00 31.60 32.08 1iu3 h MET 7 CO 0.03 0.30 -0.23 0.00 1.06 0.00 0.00 176.91 178.08 1iu3 h ARG 8 N -0.11 -0.12 -0.69 1.72 3.08 -1.25 0.82 114.38 117.84 1iu3 h ARG 8 Ca 0.02 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.21 1iu3 h ARG 8 Cb 0.24 0.03 -0.13 0.00 0.08 0.00 0.00 29.97 30.19 1iu3 h ARG 8 CO 0.00 -0.08 -0.28 0.93 -1.07 0.00 0.00 179.97 179.47 1iu3 h GLU 9 N -0.12 -0.08 -0.13 0.04 5.08 -0.86 0.23 114.58 118.74 1iu3 h GLU 9 Ca 0.22 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 1iu3 h GLU 9 Cb 0.47 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1iu3 h GLU 9 CO -0.56 -0.05 -0.11 1.25 -1.00 0.00 0.00 179.01 178.54 1iu3 h LEU 10 N -0.08 0.18 -0.90 1.33 5.85 -0.39 0.59 115.31 121.89 1iu3 h LEU 10 Ca 0.29 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.88 1iu3 h LEU 10 Cb 0.55 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1iu3 h LEU 10 CO -0.74 0.32 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.38 1iu3 h LEU 11 N 0.19 0.55 0.01 2.25 -0.00 0.84 -3.07 115.31 116.08 1iu3 h LEU 11 Ca 0.04 -0.18 -0.23 0.00 -0.00 0.00 0.00 57.88 57.50 1iu3 h LEU 11 Cb 0.32 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 40.80 1iu3 h LEU 11 CO 0.02 0.78 -1.17 -0.07 -0.00 0.00 0.00 178.44 177.99 1iu3 h LEU 12 N 0.49 0.04 -9.30 1.67 3.38 -0.31 -3.43 115.31 107.85 1iu3 h LEU 12 Ca 0.07 -0.05 -0.62 0.00 0.09 0.00 0.00 57.88 57.37 1iu3 h LEU 12 Cb 0.66 -0.01 0.13 0.00 0.09 0.00 0.00 40.66 41.53 1iu3 h LEU 12 CO 0.05 1.04 -0.31 -1.54 0.09 0.00 0.00 178.44 177.77 1iu3 n SER 13 N -3.31 -0.47 0.20 -0.43 3.41 0.20 -4.80 113.62 108.42 1iu3 n SER 13 Ca -0.04 1.01 0.05 0.00 -0.26 0.00 0.00 58.87 59.62 1iu3 n SER 13 Cb 0.97 -1.12 0.44 0.00 -0.26 0.00 0.00 64.21 64.24 1iu3 n SER 13 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1iu3 h ASP 14 N 1.11 0.00 -0.43 4.04 5.19 -1.90 -0.45 116.42 123.98 1iu3 h ASP 14 Ca -0.38 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 55.93 1iu3 h ASP 14 Cb 1.39 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.89 1iu3 h ASP 14 CO 0.54 0.30 -0.12 -0.08 -3.12 0.00 0.00 179.24 176.76 1iu3 h GLU 15 N 0.00 0.84 -0.51 3.56 4.81 -1.92 0.56 114.58 121.92 1iu3 h GLU 15 Ca -0.00 -0.33 -0.11 0.00 -0.13 0.00 0.00 59.36 58.79 1iu3 h GLU 15 Cb 0.55 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1iu3 h GLU 15 CO 0.04 0.96 -0.10 -0.92 -0.73 0.00 0.00 179.01 178.26 1iu3 h TYR 16 N 0.67 1.05 -0.34 0.92 3.20 -1.48 -2.82 116.97 118.17 1iu3 h TYR 16 Ca 0.11 -0.21 -0.11 0.00 3.14 0.00 0.00 58.73 61.66 1iu3 h TYR 16 Cb 0.66 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1iu3 h TYR 16 CO 0.05 0.98 -0.24 0.00 -1.64 0.00 0.00 178.16 177.32 1iu3 h ALA 17 N 1.03 0.95 -0.09 1.82 0.00 -0.85 -3.17 119.26 118.95 1iu3 h ALA 17 Ca 0.14 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1iu3 h ALA 17 Cb 0.64 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1iu3 h ALA 17 CO 0.04 0.61 -0.40 0.93 0.00 0.00 0.00 179.25 180.43 1iu3 h GLU 18 N 0.58 -0.41 -3.76 0.00 3.07 0.39 -3.43 114.58 111.03 1iu3 h GLU 18 Ca 0.08 0.03 -0.52 0.00 -0.50 0.00 0.00 59.36 58.45 1iu3 h GLU 18 Cb 0.72 0.09 0.02 0.00 -0.84 0.00 0.00 28.75 28.74 1iu3 h GLU 18 CO 0.06 -0.27 0.19 1.04 -1.40 0.00 0.00 179.01 178.62 1iu3 n GLN 19 N -4.64 0.00 -0.01 2.33 1.13 -1.20 -4.88 117.38 110.10 1iu3 n GLN 19 Ca -0.04 0.00 0.06 0.00 -1.94 0.00 0.00 57.00 55.08 1iu3 n GLN 19 Cb 0.28 -0.94 -0.12 0.00 0.11 0.00 0.00 30.24 29.57 1iu3 n GLN 19 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1iu3 n LYS 20 N 1.53 0.59 -3.85 -1.09 3.00 -1.26 -4.95 118.16 112.12 1iu3 n LYS 20 Ca 0.15 -0.13 -0.31 0.00 -0.00 0.00 0.00 58.31 58.02 1iu3 n LYS 20 Cb 0.02 -1.37 -0.04 0.00 0.00 0.00 0.00 35.03 33.64 1iu3 n LYS 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1iu3 s ARG 21 N -3.00 3.49 0.05 1.64 1.81 -1.26 -5.04 118.95 116.63 1iu3 s ARG 21 Ca -0.06 -0.35 -0.29 0.00 -1.72 0.00 0.00 55.73 53.31 1iu3 s ARG 21 Cb 0.09 -2.99 -0.16 0.00 -0.45 0.00 0.00 34.95 31.45 1iu3 s ARG 21 CO 0.64 0.57 1.43 0.00 -0.68 0.00 0.00 175.30 177.26 1iu3 h ALA 22 N 2.97 -1.25 -0.55 2.13 0.00 -1.94 -1.41 119.26 119.21 1iu3 h ALA 22 Ca -0.45 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.33 1iu3 h ALA 22 Cb 1.16 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 19.30 1iu3 h ALA 22 CO 0.75 -1.19 -0.21 0.28 0.00 0.00 0.00 179.25 178.88 1iu3 n VAL 23 N -4.80 -0.29 -0.28 0.00 0.31 -1.26 0.11 118.33 112.12 1iu3 n VAL 23 Ca -0.12 1.29 -0.05 0.00 -0.01 0.00 0.00 64.34 65.45 1iu3 n VAL 23 Cb 0.40 -1.71 0.06 0.00 -0.91 0.00 0.00 33.84 31.68 1iu3 n VAL 23 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1iu3 h ASN 24 N 0.00 0.96 -0.19 4.52 2.35 -1.90 0.05 115.58 121.37 1iu3 h ASN 24 Ca 0.20 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 1iu3 h ASN 24 Cb 0.34 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1iu3 h ASN 24 CO -0.55 0.79 -0.03 0.03 -1.65 0.00 0.00 177.43 176.02 1iu3 h ARG 25 N 1.05 0.35 -0.39 0.81 3.08 0.18 -2.62 114.38 116.85 1iu3 h ARG 25 Ca 0.27 -0.13 0.05 0.00 0.07 0.00 0.00 59.98 60.24 1iu3 h ARG 25 Cb 0.05 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 29.99 1iu3 h ARG 25 CO -0.04 0.59 -0.54 0.35 -1.07 0.00 0.00 179.97 179.26 1iu3 h PHE 26 N 0.08 -1.63 0.00 3.04 3.57 -0.51 0.33 116.94 121.82 1iu3 h PHE 26 Ca 0.05 0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1iu3 h PHE 26 Cb 0.45 0.76 -0.00 0.00 2.79 0.00 0.00 35.95 39.95 1iu3 h PHE 26 CO 0.05 -0.49 -0.03 0.52 -2.23 0.00 0.00 178.31 176.13 1iu3 h MET 27 N -0.40 0.00 -0.00 1.11 0.00 -0.98 -0.75 114.93 113.90 1iu3 h MET 27 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 59.70 59.61 1iu3 h MET 27 Cb 0.60 0.00 -0.02 0.00 0.00 0.00 0.00 31.60 32.18 1iu3 h MET 27 CO -0.58 0.03 -0.81 1.25 0.00 0.00 0.00 176.91 176.80 1iu3 h LEU 28 N 0.00 0.06 0.72 1.22 6.46 -0.04 -0.86 115.31 122.87 1iu3 h LEU 28 Ca -0.00 -0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.68 1iu3 h LEU 28 Cb 0.07 -0.02 0.01 0.00 -0.73 0.00 0.00 40.66 39.99 1iu3 h LEU 28 CO 0.00 0.84 -0.35 -0.07 -0.62 0.00 0.00 178.44 178.25 1iu3 h LEU 29 N 0.03 -0.82 -0.73 2.25 3.38 0.31 -0.94 115.31 118.78 1iu3 h LEU 29 Ca -0.02 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.09 1iu3 h LEU 29 Cb 1.42 0.21 -0.12 0.00 0.09 0.00 0.00 40.66 42.26 1iu3 h LEU 29 CO 0.11 -0.46 -0.44 -0.07 0.09 0.00 0.00 178.44 177.67 1iu3 h LEU 30 N -1.22 -1.55 -0.37 1.67 3.38 -1.26 -0.22 115.31 115.74 1iu3 h LEU 30 Ca -0.10 0.27 0.06 0.00 0.09 0.00 0.00 57.88 58.20 1iu3 h LEU 30 Cb 0.74 0.73 -0.05 0.00 0.09 0.00 0.00 40.66 42.17 1iu3 h LEU 30 CO 0.16 -0.31 0.04 -1.28 0.09 0.00 0.00 178.44 177.14 1iu3 h SER 31 N -0.14 -0.06 -0.40 -0.43 0.87 -1.10 0.11 113.55 112.40 1iu3 h SER 31 Ca 0.22 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.82 1iu3 h SER 31 Cb 0.55 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 1iu3 h SER 31 CO -0.79 0.00 0.14 0.74 -0.53 0.00 0.00 176.83 176.40 1iu3 h THR 32 N 0.15 1.21 0.27 2.23 2.02 0.34 -1.81 112.91 117.31 1iu3 h THR 32 Ca 0.18 -0.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 1iu3 h THR 32 Cb 0.23 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1iu3 h THR 32 CO -0.27 0.24 -0.38 -0.07 0.37 0.00 0.00 175.52 175.41 1iu3 h LEU 33 N 0.51 -1.09 -1.80 2.58 -0.00 -0.39 0.85 115.31 115.96 1iu3 h LEU 33 Ca 0.13 0.10 0.15 0.00 -0.00 0.00 0.00 57.88 58.26 1iu3 h LEU 33 Cb 0.22 0.38 -0.02 0.00 -0.00 0.00 0.00 40.66 41.24 1iu3 h LEU 33 CO -0.01 -0.47 0.59 0.22 -0.00 0.00 0.00 178.44 178.78 1iu3 h TYR 34 N -0.68 0.00 -0.00 1.13 3.20 -0.73 0.64 116.97 120.52 1iu3 h TYR 34 Ca -0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1iu3 h TYR 34 Cb 0.62 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.89 1iu3 h TYR 34 CO -0.28 0.00 -0.04 0.45 -1.64 0.00 0.00 178.16 176.65 1iu3 n SER 35 N -3.59 0.06 0.00 -2.11 2.88 0.29 -3.62 113.62 107.52 1iu3 n SER 35 Ca 0.10 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 1iu3 n SER 35 Cb 0.79 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1iu3 n SER 35 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1iu3 n LEU 36 N -1.41 0.91 -4.15 2.46 4.77 0.22 -4.84 117.00 114.97 1iu3 n LEU 36 Ca 0.09 0.35 -0.36 0.00 -0.03 0.00 0.00 56.01 56.06 1iu3 n LEU 36 Cb 0.31 -0.35 -0.12 0.00 -2.33 0.00 0.00 43.42 40.93 1iu3 n LEU 36 CO 0.26 -0.35 -0.19 -0.62 -1.33 0.00 0.00 177.39 175.16 1iu3 s ASP 37 N -2.39 5.24 0.23 -1.43 3.68 -1.20 -4.96 116.67 115.85 1iu3 s ASP 37 Ca 0.00 -1.84 -0.04 0.00 2.13 0.00 0.00 52.55 52.80 1iu3 s ASP 37 Cb 0.00 -1.83 0.23 0.00 -1.45 0.00 0.00 42.92 39.88 1iu3 s ASP 37 CO 0.00 -0.50 1.69 0.00 0.13 0.00 0.00 175.17 176.49 1iu3 h ALA 38 N 8.08 0.97 0.56 3.66 0.00 -1.86 -2.46 119.26 128.22 1iu3 h ALA 38 Ca -0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1iu3 h ALA 38 Cb 1.05 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1iu3 h ALA 38 CO 0.68 0.61 -0.34 0.37 0.00 0.00 0.00 179.25 180.57 1iu3 h GLN 39 N 0.75 -0.81 -0.04 0.00 -0.00 -1.92 0.01 115.11 113.09 1iu3 h GLN 39 Ca 0.13 0.06 0.01 0.00 -0.00 0.00 0.00 58.65 58.85 1iu3 h GLN 39 Cb 0.58 0.19 -0.00 0.00 0.00 0.00 0.00 27.48 28.24 1iu3 h GLN 39 CO 0.04 -0.54 0.03 0.00 0.00 0.00 0.00 178.83 178.36 1iu3 h ALA 40 N -0.46 1.84 0.24 3.38 0.00 -1.96 -1.25 119.26 121.05 1iu3 h ALA 40 Ca -0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1iu3 h ALA 40 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1iu3 h ALA 40 CO 0.07 -0.05 -0.11 0.35 0.00 0.00 0.00 179.25 179.51 1iu3 h PHE 41 N 0.00 -0.29 -0.52 0.00 3.57 -0.92 -0.83 116.94 117.95 1iu3 h PHE 41 Ca 0.02 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.61 1iu3 h PHE 41 Cb 0.08 0.10 -0.10 0.00 2.79 0.00 0.00 35.95 38.82 1iu3 h PHE 41 CO 0.00 0.09 -0.26 0.00 -2.23 0.00 0.00 178.31 175.91 1iu3 h ALA 42 N -0.28 0.08 -0.85 2.41 0.00 0.11 0.15 119.26 120.88 1iu3 h ALA 42 Ca -0.03 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1iu3 h ALA 42 Cb 0.51 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1iu3 h ALA 42 CO 0.05 -0.59 0.49 0.93 0.00 0.00 0.00 179.25 180.13 1iu3 h GLU 43 N -0.13 1.17 -0.94 0.00 5.08 -1.33 -2.10 114.58 116.31 1iu3 h GLU 43 Ca 0.23 -0.12 0.11 0.00 -1.00 0.00 0.00 59.36 58.59 1iu3 h GLU 43 Cb 0.50 -0.24 -0.08 0.00 0.50 0.00 0.00 28.75 29.43 1iu3 h GLU 43 CO -0.60 0.84 0.57 0.00 -1.00 0.00 0.00 179.01 178.82 1iu3 h ALA 44 N 1.26 1.40 0.46 3.43 0.00 0.64 -3.14 119.26 123.32 1iu3 h ALA 44 Ca 0.30 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1iu3 h ALA 44 Cb -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1iu3 h ALA 44 CO -0.05 0.18 -0.22 1.15 0.00 0.00 0.00 179.25 180.30 1iu3 h THR 45 N 0.92 0.50 -0.97 0.00 2.02 -0.13 -3.32 112.91 111.93 1iu3 h THR 45 Ca 0.47 -0.30 0.24 0.00 0.77 0.00 0.00 66.41 67.58 1iu3 h THR 45 Cb 0.46 0.64 -0.18 0.00 -1.74 0.00 0.00 68.15 67.32 1iu3 h THR 45 CO -0.26 0.05 -0.07 -0.62 0.37 0.00 0.00 175.52 174.99 1iu3 n GLU 46 N -5.29 -0.08 0.00 6.66 1.02 -1.08 0.15 120.64 122.02 1iu3 n GLU 46 Ca -0.11 1.47 0.08 0.00 -0.02 0.00 0.00 57.16 58.57 1iu3 n GLU 46 Cb 0.30 -2.28 0.38 0.00 -0.02 0.00 0.00 31.44 29.81 1iu3 n GLU 46 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1iu3 n SER 47 N -5.49 0.00 -4.59 1.62 3.41 -1.25 -4.71 113.62 102.61 1iu3 n SER 47 Ca 0.20 0.19 -0.38 0.00 -0.26 0.00 0.00 58.87 58.62 1iu3 n SER 47 Cb 0.66 -0.35 -0.10 0.00 -0.26 0.00 0.00 64.21 64.15 1iu3 n SER 47 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1iu3 s LEU 48 N -2.70 4.03 -0.14 1.04 2.96 0.41 -5.02 118.68 119.27 1iu3 s LEU 48 Ca 0.13 0.07 -0.34 0.00 -0.22 0.00 0.00 54.13 53.77 1iu3 s LEU 48 Cb 0.10 -2.21 0.14 0.00 0.50 0.00 0.00 46.19 44.73 1iu3 s LEU 48 CO 0.25 -0.09 1.37 -1.38 -1.32 0.00 0.00 176.35 175.18 1iu3 s HIS 49 N 1.85 -0.03 0.00 5.38 -3.43 -1.26 -4.32 115.29 113.49 1iu3 s HIS 49 Ca 0.09 -0.00 0.00 0.00 -0.80 0.00 0.00 55.06 54.35 1iu3 s HIS 49 Cb -0.16 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.50 1iu3 s HIS 49 CO 0.11 -0.09 0.00 0.41 -2.00 0.00 0.00 174.74 173.17 1iu3 n GLY 50 N -0.32 1.05 0.11 -1.38 0.00 -1.09 -4.99 105.19 98.57 1iu3 n GLY 50 Ca -0.04 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.02 1iu3 n GLY 50 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1iu3 h ARG 51 N 0.00 0.24 0.00 1.61 2.43 -2.03 -3.42 114.38 113.21 1iu3 h ARG 51 Ca 0.00 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1iu3 h ARG 51 Cb 0.00 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1iu3 h ARG 51 CO 0.00 0.80 -0.79 0.25 -1.51 0.00 0.00 179.97 178.72 1iu3 n THR 52 N -4.56 0.00 -3.65 0.20 -2.24 -1.26 -5.08 114.28 97.69 1iu3 n THR 52 Ca -0.08 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.39 1iu3 n THR 52 Cb 0.42 0.33 -0.05 0.00 -2.10 0.00 0.00 70.33 68.93 1iu3 n THR 52 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1iu3 s ARG 53 N -1.59 3.62 -0.04 -0.78 0.52 -1.26 -3.39 118.95 116.03 1iu3 s ARG 53 Ca 0.00 -0.08 -0.04 0.00 -0.52 0.00 0.00 55.73 55.08 1iu3 s ARG 53 Cb 0.00 -2.83 -0.04 0.00 0.52 0.00 0.00 34.95 32.60 1iu3 s ARG 53 CO 0.00 0.45 0.18 0.08 0.02 0.00 0.00 175.30 176.02 1iu3 s VAL 54 N -1.69 5.45 -0.23 3.52 1.01 -1.26 -2.68 120.40 124.52 1iu3 s VAL 54 Ca 0.41 -0.02 -0.16 0.00 0.00 0.00 0.00 61.98 62.21 1iu3 s VAL 54 Cb -0.12 -3.50 -0.10 0.00 0.00 0.00 0.00 36.38 32.66 1iu3 s VAL 54 CO 0.25 0.42 -0.29 -1.22 0.00 0.00 0.00 175.10 174.26 1iu3 n TYR 55 N 1.27 0.16 -3.85 5.22 4.01 -1.26 -4.78 117.16 117.94 1iu3 n TYR 55 Ca -0.14 0.07 -0.22 0.00 -0.16 0.00 0.00 57.90 57.45 1iu3 n TYR 55 Cb 0.53 -0.81 -0.05 0.00 -0.31 0.00 0.00 39.34 38.70 1iu3 n TYR 55 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1iu3 s PHE 56 N -2.62 2.69 0.00 -0.72 0.40 -1.26 -2.40 117.98 114.07 1iu3 s PHE 56 Ca -0.33 -0.50 0.00 0.00 -0.60 0.00 0.00 56.93 55.50 1iu3 s PHE 56 Cb 0.09 -2.00 0.00 0.00 0.51 0.00 0.00 43.02 41.62 1iu3 s PHE 56 CO 0.46 0.07 0.00 0.00 0.70 0.00 0.00 175.22 176.44 1iu3 n ALA 57 N -1.38 0.00 1.44 5.36 0.00 -1.13 -4.96 120.51 119.84 1iu3 n ALA 57 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.58 1iu3 n ALA 57 Cb 0.63 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.57 1iu3 n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iu3 n ALA 58 N -0.08 2.56 -3.34 0.00 0.00 -1.26 -1.77 120.51 116.61 1iu3 n ALA 58 Ca 0.00 -0.46 -0.14 0.00 0.00 0.00 0.00 53.44 52.84 1iu3 n ALA 58 Cb 0.00 -1.15 -0.05 0.00 0.00 0.00 0.00 19.45 18.25 1iu3 n ALA 58 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1iu3 s ASP 59 N -1.88 -0.48 0.17 0.00 -4.77 -1.26 -4.81 116.67 103.65 1iu3 s ASP 59 Ca 0.37 0.21 -0.21 0.00 -3.30 0.00 0.00 52.55 49.62 1iu3 s ASP 59 Cb 0.20 0.51 0.10 0.00 -1.09 0.00 0.00 42.92 42.64 1iu3 s ASP 59 CO 0.31 -0.75 1.61 -0.08 0.70 0.00 0.00 175.17 176.97 1iu3 h GLU 60 N 2.68 -0.18 -0.28 2.11 4.81 -1.92 -2.97 114.58 118.84 1iu3 h GLU 60 Ca -0.31 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.00 1iu3 h GLU 60 Cb 1.22 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.57 1iu3 h GLU 60 CO 0.41 -0.12 -0.15 1.96 -0.73 0.00 0.00 179.01 180.38 1iu3 h GLN 61 N -0.19 -0.11 -1.16 1.92 7.50 -1.99 -0.45 115.11 120.63 1iu3 h GLN 61 Ca 0.20 0.01 0.33 0.00 0.50 0.00 0.00 58.65 59.69 1iu3 h GLN 61 Cb 0.51 0.03 -0.07 0.00 0.05 0.00 0.00 27.48 27.99 1iu3 h GLN 61 CO -0.56 -0.07 0.80 1.15 -1.50 0.00 0.00 178.83 178.65 1iu3 h THR 62 N -0.11 0.41 0.00 -0.54 2.02 -1.94 0.47 112.91 113.22 1iu3 h THR 62 Ca 0.15 -0.05 -0.18 0.00 0.77 0.00 0.00 66.41 67.10 1iu3 h THR 62 Cb 0.34 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 1iu3 h THR 62 CO -0.35 0.03 -0.95 -0.07 0.37 0.00 0.00 175.52 174.54 1iu3 h LEU 63 N 0.15 0.00 -0.55 2.58 3.38 -1.19 -3.24 115.31 116.43 1iu3 h LEU 63 Ca 0.61 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.42 1iu3 h LEU 63 Cb 2.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.80 1iu3 h LEU 63 CO -0.15 0.77 -0.50 -0.07 0.09 0.00 0.00 178.44 178.58 1iu3 h LEU 64 N 0.00 0.63 0.00 1.67 3.38 0.36 -3.38 115.31 117.98 1iu3 h LEU 64 Ca -0.06 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1iu3 h LEU 64 Cb 1.64 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1iu3 h LEU 64 CO 0.09 1.02 0.00 0.29 0.09 0.00 0.00 178.44 179.94 1iu3 n LYS 65 N -3.98 0.00 -1.69 1.13 4.76 -0.61 -4.51 118.16 113.26 1iu3 n LYS 65 Ca -0.03 0.01 -0.43 0.00 -2.87 0.00 0.00 58.31 54.99 1iu3 n LYS 65 Cb 0.58 -0.70 -0.03 0.00 -1.84 0.00 0.00 35.03 33.03 1iu3 n LYS 65 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1iu3 n ASN 66 N -0.21 3.87 -1.34 4.39 4.13 -1.25 -4.33 115.26 120.52 1iu3 n ASN 66 Ca 0.00 1.01 0.00 0.00 1.68 0.00 0.00 54.58 57.27 1iu3 n ASN 66 Cb 0.00 -1.52 0.00 0.00 -1.54 0.00 0.00 39.78 36.72 1iu3 n ASN 66 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1iu3 n GLY 67 N 4.10 -4.59 0.10 7.41 0.00 -1.22 -3.99 105.19 107.00 1iu3 n GLY 67 Ca 0.18 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 1iu3 n GLY 67 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1iu3 n ASN 68 N 0.94 1.86 -4.61 1.61 2.04 -1.26 -4.67 115.26 111.18 1iu3 n ASN 68 Ca 0.00 0.47 -0.42 0.00 -0.44 0.00 0.00 54.58 54.19 1iu3 n ASN 68 Cb 0.00 -0.91 -0.04 0.00 -2.53 0.00 0.00 39.78 36.30 1iu3 n ASN 68 CO 0.00 0.00 0.00 -1.58 -0.44 0.00 0.00 177.26 175.24 1iu3 s GLN 69 N -2.38 3.92 0.07 -3.83 2.00 -1.26 -4.94 119.66 113.24 1iu3 s GLN 69 Ca -0.26 0.61 -0.09 0.00 -2.00 0.00 0.00 55.36 53.61 1iu3 s GLN 69 Cb 0.06 -3.76 0.00 0.00 0.80 0.00 0.00 33.01 30.11 1iu3 s GLN 69 CO 0.47 -0.79 0.20 0.95 -0.50 0.00 0.00 175.29 175.61 1iu3 s THR 70 N 3.18 0.13 -0.82 -0.34 -4.23 -1.26 -4.85 115.64 107.45 1iu3 s THR 70 Ca 0.35 -1.04 -0.01 0.00 -1.18 0.00 0.00 61.69 59.81 1iu3 s THR 70 Cb -0.13 -1.15 0.20 0.00 1.34 0.00 0.00 72.50 72.76 1iu3 s THR 70 CO 0.15 -0.57 0.67 -0.54 -0.54 0.00 0.00 174.62 173.79 1iu3 s LYS 71 N -3.30 3.02 -0.84 3.99 -0.14 -1.26 -4.79 119.74 116.42 1iu3 s LYS 71 Ca 0.01 -3.16 -0.27 0.00 -1.36 0.00 0.00 55.97 51.19 1iu3 s LYS 71 Cb 0.02 -3.83 -0.19 0.00 -1.68 0.00 0.00 37.83 32.16 1iu3 s LYS 71 CO -0.08 -1.25 2.53 -2.30 -0.76 0.00 0.00 175.35 173.49 1iu3 n PRO 72 N 2.47 0.34 -3.31 -1.68 -0.02 -1.26 -2.84 135.00 128.70 1iu3 n PRO 72 Ca 0.19 -0.06 -0.35 0.00 -2.02 0.00 0.00 63.50 61.25 1iu3 n PRO 72 Cb 0.37 -2.16 -0.06 0.00 -0.02 0.00 0.00 33.50 31.63 1iu3 n PRO 72 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1iu3 s LYS 73 N 8.55 4.02 0.00 -0.52 2.47 0.16 -4.92 119.74 129.51 1iu3 s LYS 73 Ca 1.22 0.56 0.00 0.00 -1.56 0.00 0.00 55.97 56.18 1iu3 s LYS 73 Cb -0.82 -2.90 0.00 0.00 -1.46 0.00 0.00 37.83 32.65 1iu3 s LYS 73 CO 0.41 0.45 0.19 0.72 0.16 0.00 0.00 175.35 177.28 1iu3 n HIS 74 N 0.73 0.00 -3.69 4.03 8.25 -1.26 -2.44 115.22 120.83 1iu3 n HIS 74 Ca -0.04 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.31 1iu3 n HIS 74 Cb 0.52 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.52 1iu3 n HIS 74 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1iu3 s VAL 75 N -0.38 -0.02 0.00 1.59 1.01 -1.26 -4.46 120.40 116.87 1iu3 s VAL 75 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1iu3 s VAL 75 Cb 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.76 1iu3 s VAL 75 CO 0.00 0.04 0.80 -2.65 0.00 0.00 0.00 175.10 173.28 1iu3 n PRO 76 N 4.24 0.00 -0.05 2.72 -0.02 -1.26 -4.75 135.00 135.88 1iu3 n PRO 76 Ca -0.23 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1iu3 n PRO 76 Cb 0.55 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 1iu3 n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iu3 n GLY 77 N -0.88 0.42 0.00 -1.23 0.00 -1.26 -4.97 105.19 97.27 1iu3 n GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1iu3 n GLY 77 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iu3 n THR 78 N 0.00 0.00 -1.33 2.61 -2.24 -1.26 -5.07 114.28 106.99 1iu3 n THR 78 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 1iu3 n THR 78 Cb 0.21 0.00 0.19 0.00 -2.10 0.00 0.00 70.33 68.63 1iu3 n THR 78 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1iu3 n PRO 79 N 0.00 1.64 -3.54 -0.78 -0.04 -1.26 -4.98 135.00 126.05 1iu3 n PRO 79 Ca 0.00 -2.98 -0.23 0.00 -0.04 0.00 0.00 63.50 60.25 1iu3 n PRO 79 Cb 0.00 -1.63 -0.00 0.00 -0.04 0.00 0.00 33.50 31.83 1iu3 n PRO 79 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1iu3 n TYR 80 N -1.18 -0.57 -3.89 0.54 4.02 -1.26 -4.67 117.16 110.14 1iu3 n TYR 80 Ca 0.20 -1.98 -0.11 0.00 -0.01 0.00 0.00 57.90 56.00 1iu3 n TYR 80 Cb 0.74 -0.37 -0.13 0.00 -0.02 0.00 0.00 39.34 39.56 1iu3 n TYR 80 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1iu3 s TRP 81 N -2.32 0.05 0.21 -0.72 0.52 -0.73 -4.02 118.94 111.92 1iu3 s TRP 81 Ca 0.24 -0.09 0.06 0.00 0.02 0.00 0.00 56.10 56.33 1iu3 s TRP 81 Cb -0.02 -0.04 -0.05 0.00 -1.15 0.00 0.00 33.47 32.21 1iu3 s TRP 81 CO 0.15 -0.06 -0.09 0.08 0.02 0.00 0.00 176.95 177.05 1iu3 s VAL 82 N -0.39 1.42 0.37 4.03 1.01 -1.02 -2.84 120.40 122.98 1iu3 s VAL 82 Ca -0.04 -2.12 -0.24 0.00 0.00 0.00 0.00 61.98 59.58 1iu3 s VAL 82 Cb -0.03 -2.12 -0.10 0.00 0.00 0.00 0.00 36.38 34.14 1iu3 s VAL 82 CO -0.00 -0.54 0.96 -0.63 0.00 0.00 0.00 175.10 174.89 1iu3 s ILE 83 N -3.17 4.19 0.00 2.22 -1.09 -1.01 -0.66 121.20 121.68 1iu3 s ILE 83 Ca 0.23 1.65 0.00 0.00 -2.23 0.00 0.00 60.65 60.30 1iu3 s ILE 83 Cb 0.02 -3.83 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 1iu3 s ILE 83 CO 0.06 -0.02 0.00 0.41 -1.23 0.00 0.00 174.94 174.16 1iu3 n THR 84 N 0.08 0.00 -2.32 2.92 -1.04 -1.13 -4.83 114.28 107.96 1iu3 n THR 84 Ca 0.04 -0.04 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 1iu3 n THR 84 Cb 0.51 0.48 -0.02 0.00 -1.82 0.00 0.00 70.33 69.48 1iu3 n THR 84 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1iu3 n ASN 85 N -1.21 4.24 -3.64 8.00 4.05 -1.26 -4.76 115.26 120.67 1iu3 n ASN 85 Ca 0.00 -2.84 -0.15 0.00 0.45 0.00 0.00 54.58 52.04 1iu3 n ASN 85 Cb 0.00 -1.72 -0.08 0.00 1.23 0.00 0.00 39.78 39.21 1iu3 n ASN 85 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1iu3 s THR 86 N 6.22 0.01 1.14 -0.44 -4.23 -1.26 -4.87 115.64 112.20 1iu3 s THR 86 Ca 0.58 -0.07 -0.19 0.00 -1.18 0.00 0.00 61.69 60.83 1iu3 s THR 86 Cb 0.04 -0.84 0.27 0.00 1.34 0.00 0.00 72.50 73.31 1iu3 s THR 86 CO 0.09 -0.04 1.19 0.54 -0.54 0.00 0.00 174.62 175.86 1iu3 s ASN 87 N -0.37 1.49 0.39 3.99 2.20 -1.26 -4.81 114.94 116.56 1iu3 s ASN 87 Ca -0.05 0.44 0.18 0.00 -0.94 0.00 0.00 52.86 52.49 1iu3 s ASN 87 Cb -0.03 -0.55 0.77 0.00 -2.00 0.00 0.00 41.25 39.44 1iu3 s ASN 87 CO 0.04 -3.75 1.79 0.74 -2.94 0.00 0.00 177.10 172.97 1iu3 h THR 88 N -2.34 0.96 0.13 0.54 2.02 -1.98 -2.16 112.91 110.08 1iu3 h THR 88 Ca -0.44 -1.38 -0.00 0.00 0.77 0.00 0.00 66.41 65.36 1iu3 h THR 88 Cb 1.27 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 69.48 1iu3 h THR 88 CO 0.32 0.35 -0.14 1.23 0.37 0.00 0.00 175.52 177.66 1iu3 h GLY 89 N 1.68 -0.86 0.44 2.16 0.00 -1.99 1.05 103.07 105.55 1iu3 h GLY 89 Ca -0.00 0.38 0.19 0.00 0.00 0.00 0.00 47.33 47.91 1iu3 h GLY 89 CO 0.05 -0.30 0.56 -0.09 0.00 0.00 0.00 176.54 176.76 1iu3 h ARG 90 N -0.27 0.30 -0.28 4.80 2.43 -1.91 0.66 114.38 120.11 1iu3 h ARG 90 Ca -0.02 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1iu3 h ARG 90 Cb 0.24 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1iu3 h ARG 90 CO -0.02 0.20 0.17 -0.22 -1.51 0.00 0.00 179.97 178.59 1iu3 h LYS 91 N 0.31 0.38 0.59 0.20 1.63 -0.60 0.26 116.57 119.34 1iu3 h LYS 91 Ca 0.42 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 60.17 1iu3 h LYS 91 Cb 1.16 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.69 1iu3 h LYS 91 CO -0.12 0.29 -0.49 0.00 -3.45 0.00 0.00 179.45 175.68 1iu3 h SER 93 N -1.06 0.00 0.39 0.00 4.64 -0.88 1.02 113.55 117.66 1iu3 h SER 93 Ca -0.07 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 1iu3 h SER 93 Cb 0.89 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1iu3 h SER 93 CO -0.01 0.00 -0.12 0.24 -0.87 0.00 0.00 176.83 176.07 1iu3 h MET 94 N 0.00 0.00 0.11 4.77 2.86 -0.08 -1.32 114.93 121.27 1iu3 h MET 94 Ca 0.01 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.46 1iu3 h MET 94 Cb 0.05 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.72 1iu3 h MET 94 CO -0.00 0.12 -0.89 0.82 1.06 0.00 0.00 176.91 178.03 1iu3 h ILE 95 N 0.00 1.40 -0.65 -1.22 1.08 0.11 -1.49 117.51 116.74 1iu3 h ILE 95 Ca -0.00 -2.47 0.13 0.00 -0.39 0.00 0.00 64.86 62.13 1iu3 h ILE 95 Cb 0.35 3.07 -0.12 0.00 -3.07 0.00 0.00 36.82 37.04 1iu3 h ILE 95 CO 0.02 0.68 -0.17 -0.08 -0.69 0.00 0.00 178.15 177.91 1iu3 h GLU 96 N -0.46 -0.01 0.90 2.37 4.81 -0.27 0.30 114.58 122.23 1iu3 h GLU 96 Ca -0.17 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 1iu3 h GLU 96 Cb 1.58 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.97 1iu3 h GLU 96 CO 0.10 -0.01 -0.43 1.25 -0.73 0.00 0.00 179.01 179.19 1iu3 h HIS 97 N -0.01 -1.12 0.00 0.92 2.76 -1.30 0.28 115.15 116.68 1iu3 h HIS 97 Ca 0.31 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.45 1iu3 h HIS 97 Cb 0.48 0.37 0.00 0.00 1.55 0.00 0.00 27.41 29.81 1iu3 h HIS 97 CO -0.54 -0.70 0.11 0.82 -1.30 0.00 0.00 177.93 176.32 1iu3 h ILE 98 N -1.31 0.00 0.09 6.26 2.04 -0.34 -0.73 117.51 123.52 1iu3 h ILE 98 Ca -0.12 0.00 -0.36 0.00 1.00 0.00 0.00 64.86 65.38 1iu3 h ILE 98 Cb 0.93 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1iu3 h ILE 98 CO 0.20 0.00 -2.03 0.80 0.00 0.00 0.00 178.15 177.12 1iu3 n MET 99 N -2.60 0.73 0.22 2.37 1.56 0.97 -3.03 117.12 117.35 1iu3 n MET 99 Ca -0.02 0.25 -0.15 0.00 -0.27 0.00 0.00 57.70 57.51 1iu3 n MET 99 Cb 0.15 -1.69 -0.08 0.00 2.15 0.00 0.00 33.22 33.75 1iu3 n MET 99 CO 0.00 0.00 0.00 1.96 -0.73 0.00 0.00 175.97 177.20 1iu3 h GLN 100 N 0.05 -0.48 -0.15 2.12 4.20 1.00 0.16 115.11 122.01 1iu3 h GLN 100 Ca -0.43 0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.36 1iu3 h GLN 100 Cb 2.02 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.91 1iu3 h GLN 100 CO 0.07 -0.32 0.23 1.03 -0.67 0.00 0.00 178.83 179.16 1iu3 h SER 101 N -0.51 0.00 0.17 1.46 0.87 -1.53 -0.37 113.55 113.64 1iu3 h SER 101 Ca -0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1iu3 h SER 101 Cb 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1iu3 h SER 101 CO 0.08 0.00 -0.09 0.23 -0.53 0.00 0.00 176.83 176.52 1iu3 n MET 102 N -3.52 1.07 -2.54 2.24 2.81 0.48 -4.93 117.12 112.74 1iu3 n MET 102 Ca 0.01 -0.49 -0.06 0.00 -1.81 0.00 0.00 57.70 55.35 1iu3 n MET 102 Cb 0.33 -1.49 0.03 0.00 -0.71 0.00 0.00 33.22 31.38 1iu3 n MET 102 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1iu3 n GLN 103 N -0.53 -2.25 -3.85 0.03 1.13 -0.15 -5.03 117.38 106.73 1iu3 n GLN 103 Ca 0.17 0.28 -0.35 0.00 -1.94 0.00 0.00 57.00 55.15 1iu3 n GLN 103 Cb 0.30 -3.60 -0.05 0.00 0.11 0.00 0.00 30.24 26.99 1iu3 n GLN 103 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1iu3 s PHE 104 N -3.12 3.59 0.28 1.08 0.40 -1.03 -4.70 117.98 114.48 1iu3 s PHE 104 Ca 0.03 0.51 -0.30 0.00 -0.60 0.00 0.00 56.93 56.57 1iu3 s PHE 104 Cb -0.01 -1.93 -0.11 0.00 0.51 0.00 0.00 43.02 41.47 1iu3 s PHE 104 CO 0.24 0.68 1.57 -1.25 0.70 0.00 0.00 175.22 177.16 1iu3 s PRO 105 N -1.45 4.15 0.22 0.24 0.04 -1.26 -4.77 135.00 132.17 1iu3 s PRO 105 Ca 0.22 2.53 0.11 0.00 0.04 0.00 0.00 61.00 63.89 1iu3 s PRO 105 Cb -0.13 -3.04 0.58 0.00 0.04 0.00 0.00 34.50 31.95 1iu3 s PRO 105 CO 0.11 -0.60 1.23 0.00 0.04 0.00 0.00 177.00 177.78 1iu3 n ALA 106 N 2.27 0.73 0.08 8.56 0.00 -1.26 -1.34 120.51 129.55 1iu3 n ALA 106 Ca 0.08 0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.50 1iu3 n ALA 106 Cb 0.38 -0.87 -0.08 0.00 0.00 0.00 0.00 19.45 18.88 1iu3 n ALA 106 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1iu3 h GLU 107 N 0.00 -0.24 0.09 0.00 4.22 -2.01 -2.76 114.58 113.88 1iu3 h GLU 107 Ca 0.00 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.46 1iu3 h GLU 107 Cb 0.38 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1iu3 h GLU 107 CO 0.00 0.15 -0.27 -0.07 -2.18 0.00 0.00 179.01 176.65 1iu3 h LEU 108 N -0.74 -0.79 -0.64 1.64 3.38 -1.58 -2.72 115.31 113.85 1iu3 h LEU 108 Ca -0.03 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.11 1iu3 h LEU 108 Cb 0.51 0.29 -0.09 0.00 0.09 0.00 0.00 40.66 41.45 1iu3 h LEU 108 CO 0.04 -0.29 -0.31 -0.38 0.09 0.00 0.00 178.44 177.60 1iu3 n ILE 109 N -3.96 -0.38 -0.07 1.22 2.08 -1.14 0.84 119.36 117.95 1iu3 n ILE 109 Ca -0.05 1.53 0.01 0.00 0.56 0.00 0.00 62.75 64.81 1iu3 n ILE 109 Cb 0.21 -1.97 0.32 0.00 -0.75 0.00 0.00 39.64 37.46 1iu3 n ILE 109 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1iu3 h GLU 110 N 0.00 0.68 0.04 0.38 4.81 -1.17 -0.32 114.58 119.00 1iu3 h GLU 110 Ca 0.17 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1iu3 h GLU 110 Cb 0.33 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1iu3 h GLU 110 CO -0.63 0.52 -0.02 0.87 -0.73 0.00 0.00 179.01 179.03 1iu3 h LYS 111 N 0.68 -0.05 -0.95 1.92 1.57 0.56 0.10 116.57 120.40 1iu3 h LYS 111 Ca 0.17 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 59.14 1iu3 h LYS 111 Cb 0.07 0.01 -0.18 0.00 0.08 0.00 0.00 32.23 32.21 1iu3 h LYS 111 CO -0.02 -0.04 -0.24 0.28 -0.57 0.00 0.00 179.45 178.85 1iu3 h VAL 112 N -0.06 0.05 0.00 0.50 2.07 -0.39 3.21 116.25 121.63 1iu3 h VAL 112 Ca -0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1iu3 h VAL 112 Cb 0.04 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 1iu3 h VAL 112 CO 0.01 0.00 -0.21 0.00 0.02 0.00 0.00 177.57 177.39 1iu3 h GLY 114 N 0.91 0.42 2.00 0.00 0.00 0.80 -3.04 103.07 104.16 1iu3 h GLY 114 Ca -0.00 -0.27 -0.17 0.00 0.00 0.00 0.00 47.33 46.89 1iu3 h GLY 114 CO 0.03 0.25 -0.81 -0.91 0.00 0.00 0.00 176.54 175.09 1iu3 h THR 115 N 0.37 1.55 0.00 4.70 1.35 -0.78 -3.51 112.91 116.59 1iu3 h THR 115 Ca 0.07 -2.81 0.00 0.00 -0.55 0.00 0.00 66.41 63.12 1iu3 h THR 115 Cb 0.40 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 1iu3 h THR 115 CO 0.02 0.80 0.00 -0.38 -0.25 0.00 0.00 175.52 175.71