#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iam n SER 4 N 0.00 1.83 0.05 0.00 3.41 -1.26 -4.08 113.62 113.56 3iam n SER 4 Ca 0.00 -1.39 0.07 0.00 -0.26 0.00 0.00 58.87 57.28 3iam n SER 4 Cb 0.00 0.33 0.49 0.00 -0.26 0.00 0.00 64.21 64.77 3iam n SER 4 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3iam h SER 5 N 2.30 0.33 -0.66 4.04 4.64 -1.98 -1.50 113.55 120.73 3iam h SER 5 Ca 0.00 -0.01 0.04 0.00 -0.47 0.00 0.00 61.79 61.35 3iam h SER 5 Cb 0.70 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 62.66 3iam h SER 5 CO 0.00 0.23 0.39 -0.33 -0.87 0.00 0.00 176.83 176.26 3iam h GLU 6 N 0.39 0.73 -0.00 4.77 5.08 -1.98 0.41 114.58 123.98 3iam h GLU 6 Ca 0.14 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3iam h GLU 6 Cb 0.07 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 3iam h GLU 6 CO -0.03 0.49 0.00 -0.09 -1.00 0.00 0.00 179.01 178.37 3iam h ARG 7 N 0.76 0.01 0.00 2.33 2.43 -1.59 -3.04 114.38 115.27 3iam h ARG 7 Ca 0.28 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3iam h ARG 7 Cb 0.08 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3iam h ARG 7 CO -0.13 0.30 0.00 1.49 -1.51 0.00 0.00 179.97 180.12 3iam h GLU 8 N -0.29 0.00 0.03 0.20 4.57 -0.95 -2.17 114.58 115.97 3iam h GLU 8 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3iam h GLU 8 Cb 0.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 3iam h GLU 8 CO 0.00 0.00 -0.01 1.25 -1.18 0.00 0.00 179.01 179.07 3iam h LEU 9 N 0.00 -0.03 -1.45 1.64 5.85 -0.80 -2.83 115.31 117.69 3iam h LEU 9 Ca 0.00 -0.37 -0.06 0.00 0.84 0.00 0.00 57.88 58.30 3iam h LEU 9 Cb 0.18 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3iam h LEU 9 CO 0.00 0.36 -0.25 1.88 -0.34 0.00 0.00 178.44 180.09 3iam h TYR 10 N -0.43 0.05 -0.31 1.25 0.05 -1.43 0.13 116.97 116.28 3iam h TYR 10 Ca -0.00 -0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.80 3iam h TYR 10 Cb 0.40 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.11 3iam h TYR 10 CO 0.06 0.29 0.21 1.49 -1.05 0.00 0.00 178.16 179.15 3iam h GLU 11 N 0.04 0.30 0.05 4.88 4.81 -1.31 -1.69 114.58 121.67 3iam h GLU 11 Ca 0.01 -0.02 -0.29 0.00 -0.13 0.00 0.00 59.36 58.93 3iam h GLU 11 Cb 0.46 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 3iam h GLU 11 CO 0.03 0.20 -1.54 0.00 -0.73 0.00 0.00 179.01 176.97 3iam h ALA 12 N 1.82 0.50 -0.52 2.92 0.00 -0.93 -3.27 119.26 119.78 3iam h ALA 12 Ca 0.13 -1.24 -0.00 0.00 0.00 0.00 0.00 54.91 53.79 3iam h ALA 12 Cb 0.12 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3iam h ALA 12 CO -0.03 1.36 0.31 2.35 0.00 0.00 0.00 179.25 183.24 3iam h TRP 13 N 0.03 0.67 -0.21 0.00 2.91 -0.27 0.54 115.95 119.62 3iam h TRP 13 Ca -0.23 0.00 -0.12 0.00 1.13 0.00 0.00 58.89 59.67 3iam h TRP 13 Cb 1.97 -0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 30.38 3iam h TRP 13 CO 0.03 0.45 -0.39 0.28 -1.03 0.00 0.00 178.44 177.78 3iam h VAL 14 N 0.71 1.30 -0.30 2.65 2.07 -1.45 -2.72 116.25 118.51 3iam h VAL 14 Ca 0.19 -1.54 -0.16 0.00 0.82 0.00 0.00 66.70 66.00 3iam h VAL 14 Cb -0.02 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3iam h VAL 14 CO -0.04 0.48 -0.45 -0.08 0.02 0.00 0.00 177.57 177.51 3iam h GLU 15 N 0.40 0.83 -0.44 1.57 4.81 -1.15 -0.85 114.58 119.75 3iam h GLU 15 Ca 0.04 -0.50 0.02 0.00 -0.13 0.00 0.00 59.36 58.79 3iam h GLU 15 Cb 0.87 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 3iam h GLU 15 CO 0.07 1.13 0.26 1.25 -0.73 0.00 0.00 179.01 180.99 3iam h LEU 16 N 0.61 0.41 -0.84 1.64 7.12 -0.99 -1.25 115.31 122.02 3iam h LEU 16 Ca 0.03 0.01 0.09 0.00 0.13 0.00 0.00 57.88 58.14 3iam h LEU 16 Cb 1.05 -0.08 -0.07 0.00 -0.53 0.00 0.00 40.66 41.02 3iam h LEU 16 CO 0.10 0.30 0.48 -0.07 -0.13 0.00 0.00 178.44 179.12 3iam h LEU 17 N 0.52 0.70 -0.60 2.25 3.38 -1.13 -0.93 115.31 119.50 3iam h LEU 17 Ca 0.18 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3iam h LEU 17 Cb 0.02 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3iam h LEU 17 CO -0.08 0.40 0.35 0.28 0.09 0.00 0.00 178.44 179.47 3iam h SER 18 N 0.81 0.73 -0.23 -0.43 0.02 -0.06 -0.54 113.55 113.84 3iam h SER 18 Ca 0.40 -0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.30 3iam h SER 18 Cb 0.36 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 3iam h SER 18 CO -0.24 0.58 0.10 -0.50 -1.14 0.00 0.00 176.83 175.63 3iam h TRP 19 N 0.81 0.19 -0.85 3.45 6.55 -0.66 -0.59 115.95 124.84 3iam h TRP 19 Ca 0.21 0.01 0.08 0.00 0.95 0.00 0.00 58.89 60.14 3iam h TRP 19 Cb 0.00 -0.05 -0.07 0.00 -0.86 0.00 0.00 29.16 28.18 3iam h TRP 19 CO -0.02 0.10 0.51 0.52 -1.05 0.00 0.00 178.44 178.51 3iam h MET 20 N 0.23 0.88 -0.03 0.49 2.86 -0.56 0.25 114.93 119.04 3iam h MET 20 Ca 0.10 -0.05 -0.16 0.00 -2.06 0.00 0.00 59.70 57.53 3iam h MET 20 Cb 0.04 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 3iam h MET 20 CO -0.08 0.58 -0.69 0.00 1.06 0.00 0.00 176.91 177.78 3iam h ARG 21 N 0.91 0.17 0.65 1.72 3.08 -0.69 -1.49 114.38 118.73 3iam h ARG 21 Ca 0.39 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.27 3iam h ARG 21 Cb 0.25 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.34 3iam h ARG 21 CO -0.20 0.80 -0.31 1.49 -1.07 0.00 0.00 179.97 180.67 3iam h GLU 22 N 0.12 -0.84 -0.80 0.04 4.81 -0.26 -2.63 114.58 115.02 3iam h GLU 22 Ca -0.02 0.06 0.19 0.00 -0.13 0.00 0.00 59.36 59.46 3iam h GLU 22 Cb 1.23 0.19 -0.14 0.00 0.63 0.00 0.00 28.75 30.66 3iam h GLU 22 CO 0.10 -0.56 0.04 -0.92 -0.73 0.00 0.00 179.01 176.95 3iam h TYR 23 N -1.00 0.02 -1.00 0.92 5.03 -1.03 0.81 116.97 120.72 3iam h TYR 23 Ca -0.09 0.06 0.04 0.00 2.58 0.00 0.00 58.73 61.32 3iam h TYR 23 Cb 0.67 0.12 -0.06 0.00 1.55 0.00 0.00 36.73 39.01 3iam h TYR 23 CO 0.04 -0.25 0.65 0.00 -1.32 0.00 0.00 178.16 177.28 3iam h ALA 24 N 1.75 1.32 0.00 1.82 0.00 -1.21 0.18 119.26 123.12 3iam h ALA 24 Ca 0.46 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.26 3iam h ALA 24 Cb 0.84 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3iam h ALA 24 CO -0.69 0.54 -0.86 1.96 0.00 0.00 0.00 179.25 180.20 3iam h GLN 25 N 1.26 0.00 0.00 0.00 1.08 -1.00 0.48 115.11 116.92 3iam h GLN 25 Ca 0.40 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.35 3iam h GLN 25 Cb 0.01 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.40 3iam h GLN 25 CO -0.13 0.16 -1.30 0.00 -0.95 0.00 0.00 178.83 176.61 3iam h ALA 26 N 1.76 0.53 -0.11 3.87 0.00 0.07 -3.17 119.26 122.22 3iam h ALA 26 Ca -0.05 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.72 3iam h ALA 26 Cb 1.22 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3iam h ALA 26 CO 0.02 1.39 0.00 1.63 0.00 0.00 0.00 179.25 182.30 3iam n LYS 27 N -3.22 1.96 -3.29 0.00 4.76 0.55 -5.01 118.16 113.91 3iam n LYS 27 Ca -0.07 -1.82 -0.13 0.00 -2.87 0.00 0.00 58.31 53.41 3iam n LYS 27 Cb 0.99 -1.40 0.04 0.00 -1.84 0.00 0.00 35.03 32.81 3iam n LYS 27 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3iam n GLY 28 N 1.18 -1.17 3.07 0.72 0.00 -0.90 -5.04 105.19 103.04 3iam n GLY 28 Ca 0.13 0.53 -0.10 0.00 0.00 0.00 0.00 46.02 46.58 3iam n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iam s VAL 29 N -3.25 0.38 0.02 1.61 0.11 0.16 -5.01 120.40 114.41 3iam s VAL 29 Ca 0.29 -1.42 -0.30 0.00 -2.93 0.00 0.00 61.98 57.62 3iam s VAL 29 Cb -0.06 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.73 3iam s VAL 29 CO 0.77 -0.68 1.60 -0.13 -3.33 0.00 0.00 175.10 173.33 3iam s ARG 30 N -2.66 4.21 -0.14 1.54 1.81 -1.19 -4.43 118.95 118.09 3iam s ARG 30 Ca -0.02 2.21 -0.07 0.00 -1.72 0.00 0.00 55.73 56.13 3iam s ARG 30 Cb -0.02 -3.72 -0.04 0.00 -0.45 0.00 0.00 34.95 30.72 3iam s ARG 30 CO -0.04 -0.74 0.13 0.12 -0.68 0.00 0.00 175.30 174.09 3iam s PHE 31 N 3.04 3.53 -0.03 -0.53 2.19 -1.26 -1.25 117.98 123.65 3iam s PHE 31 Ca 0.72 0.46 0.00 0.00 0.33 0.00 0.00 56.93 58.43 3iam s PHE 31 Cb -0.36 -1.99 0.03 0.00 -1.31 0.00 0.00 43.02 39.39 3iam s PHE 31 CO 0.30 0.61 0.00 -2.00 1.83 0.00 0.00 175.22 175.96 3iam s GLU 32 N -0.66 0.31 -0.11 10.12 2.12 -0.59 -4.96 118.70 124.94 3iam s GLU 32 Ca 0.13 0.10 -0.29 0.00 0.36 0.00 0.00 54.97 55.26 3iam s GLU 32 Cb -0.12 -0.54 -0.04 0.00 0.26 0.00 0.00 34.13 33.69 3iam s GLU 32 CO 0.02 -0.17 1.54 0.21 -0.54 0.00 0.00 175.26 176.33 3iam s LYS 33 N 1.21 4.14 -0.06 4.30 2.20 -1.26 -1.14 119.74 129.13 3iam s LYS 33 Ca -0.07 1.98 0.21 0.00 -0.36 0.00 0.00 55.97 57.73 3iam s LYS 33 Cb -0.13 -3.93 -0.32 0.00 -1.51 0.00 0.00 37.83 31.93 3iam s LYS 33 CO -0.02 -0.87 0.41 -1.91 -0.36 0.00 0.00 175.35 172.60 3iam n GLU 34 N 7.06 0.66 -3.65 4.03 4.07 0.24 -4.97 120.64 128.10 3iam n GLU 34 Ca 0.17 -0.16 -0.02 0.00 -0.06 0.00 0.00 57.16 57.09 3iam n GLU 34 Cb 0.44 -1.52 -0.07 0.00 -0.06 0.00 0.00 31.44 30.22 3iam n GLU 34 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3iam s ALA 35 N -3.32 -2.33 0.22 4.31 0.00 -0.70 -4.88 121.76 115.06 3iam s ALA 35 Ca -0.08 1.79 -0.09 0.00 0.00 0.00 0.00 51.96 53.58 3iam s ALA 35 Cb 0.12 -1.81 -0.07 0.00 0.00 0.00 0.00 23.12 21.36 3iam s ALA 35 CO 0.89 -0.18 0.53 -0.51 0.00 0.00 0.00 175.76 176.50 3iam s ASP 36 N 0.36 6.61 -0.07 0.00 1.11 -1.26 -0.11 116.67 123.31 3iam s ASP 36 Ca 0.02 0.88 -0.36 0.00 0.18 0.00 0.00 52.55 53.27 3iam s ASP 36 Cb -0.04 -2.21 -0.14 0.00 1.07 0.00 0.00 42.92 41.60 3iam s ASP 36 CO -0.13 -0.06 1.72 0.49 1.18 0.00 0.00 175.17 178.36 3iam n PHE 37 N -0.12 2.13 -0.11 4.23 3.01 -0.43 -4.73 117.46 121.44 3iam n PHE 37 Ca 0.00 0.28 0.03 0.00 1.01 0.00 0.00 57.45 58.77 3iam n PHE 37 Cb 0.52 -2.54 0.34 0.00 -0.01 0.00 0.00 39.48 37.80 3iam n PHE 37 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3iam h PRO 38 N 7.45 0.74 0.00 -1.08 0.11 -1.95 -1.81 132.00 135.46 3iam h PRO 38 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3iam h PRO 38 Cb 1.29 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3iam h PRO 38 CO 0.92 0.49 0.00 -0.40 -0.21 0.00 0.00 178.00 178.80 3iam n ASP 39 N -4.45 0.00 -0.06 -2.05 5.75 -1.26 -2.08 116.55 112.40 3iam n ASP 39 Ca 0.06 -0.14 -0.08 0.00 -0.01 0.00 0.00 54.79 54.63 3iam n ASP 39 Cb 0.07 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.10 3iam n ASP 39 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 3iam n PHE 40 N -0.98 0.00 0.13 2.11 -0.00 -0.69 -3.52 117.46 114.51 3iam n PHE 40 Ca 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.47 3iam n PHE 40 Cb 0.01 -0.51 0.21 0.00 -0.00 0.00 0.00 39.48 39.19 3iam n PHE 40 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 3iam h ILE 41 N 0.00 1.38 -0.01 -2.13 2.04 -1.35 -3.26 117.51 114.19 3iam h ILE 41 Ca -0.29 -1.85 0.00 0.00 1.00 0.00 0.00 64.86 63.72 3iam h ILE 41 Cb 1.53 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 39.58 3iam h ILE 41 CO -0.02 0.53 -0.50 -1.22 0.00 0.00 0.00 178.15 176.94 3iam n TYR 42 N -3.90 0.00 -1.68 1.37 4.01 -0.90 -4.84 117.16 111.21 3iam n TYR 42 Ca -0.02 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.26 3iam n TYR 42 Cb 0.55 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.54 3iam n TYR 42 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3iam n ARG 43 N -0.75 2.38 0.00 -0.72 0.00 -1.23 -4.89 116.66 111.45 3iam n ARG 43 Ca 0.05 0.87 0.00 0.00 -0.00 0.00 0.00 57.85 58.76 3iam n ARG 43 Cb 0.27 -2.74 0.00 0.00 0.00 0.00 0.00 32.46 29.99 3iam n ARG 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 3iam n MET 44 N 6.62 0.00 0.00 -0.14 2.81 -1.26 -4.71 117.12 120.45 3iam n MET 44 Ca 0.21 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.22 3iam n MET 44 Cb 0.33 -0.06 0.07 0.00 -0.71 0.00 0.00 33.22 32.85 3iam n MET 44 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 3iam n GLU 45 N -0.25 0.18 -0.99 0.03 0.00 -1.26 -4.99 120.64 113.35 3iam n GLU 45 Ca 0.00 -0.13 -0.34 0.00 0.00 0.00 0.00 57.16 56.69 3iam n GLU 45 Cb 0.00 -1.50 0.11 0.00 0.00 0.00 0.00 31.44 30.06 3iam n GLU 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3iam n ARG 46 N -1.29 -0.02 -2.48 3.44 1.74 -1.26 -4.97 116.66 111.83 3iam n ARG 46 Ca 0.06 0.05 -0.32 0.00 -0.77 0.00 0.00 57.85 56.87 3iam n ARG 46 Cb 0.35 -2.06 -0.04 0.00 -1.02 0.00 0.00 32.46 29.69 3iam n ARG 46 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3iam s PRO 47 N -3.63 3.99 -0.25 5.56 0.04 -1.26 -4.98 135.00 134.47 3iam s PRO 47 Ca 0.65 0.97 -0.15 0.00 0.04 0.00 0.00 61.00 62.50 3iam s PRO 47 Cb -0.27 -2.15 0.07 0.00 0.04 0.00 0.00 34.50 32.19 3iam s PRO 47 CO 0.59 -0.23 0.61 -0.47 0.04 0.00 0.00 177.00 177.54 3iam s TYR 48 N -2.55 -0.90 0.00 0.56 6.14 -1.26 -5.06 117.35 114.28 3iam s TYR 48 Ca 0.59 1.86 0.00 0.00 0.64 0.00 0.00 57.07 60.16 3iam s TYR 48 Cb -0.10 0.49 0.00 0.00 0.42 0.00 0.00 41.96 42.78 3iam s TYR 48 CO 0.28 -0.46 0.46 -0.40 0.64 0.00 0.00 175.55 176.07 3iam n ASP 49 N 4.13 0.00 -4.77 4.32 5.75 -1.26 -5.08 116.55 119.64 3iam n ASP 49 Ca -0.20 -1.13 -0.40 0.00 -0.01 0.00 0.00 54.79 53.05 3iam n ASP 49 Cb 0.58 -0.03 -0.01 0.00 -1.03 0.00 0.00 41.12 40.63 3iam n ASP 49 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3iam s LEU 50 N 0.00 4.28 0.50 -2.12 1.02 -1.26 -4.93 118.68 116.17 3iam s LEU 50 Ca 0.00 2.65 0.18 0.00 0.02 0.00 0.00 54.13 56.98 3iam s LEU 50 Cb 0.00 -3.83 1.23 0.00 0.02 0.00 0.00 46.19 43.62 3iam s LEU 50 CO 0.00 -0.74 2.07 -0.65 0.02 0.00 0.00 176.35 177.05 3iam h PRO 51 N 2.90 0.11 0.00 1.29 0.11 -1.98 -3.44 132.00 131.00 3iam h PRO 51 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3iam h PRO 51 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3iam h PRO 51 CO 0.63 0.07 0.00 0.25 -0.21 0.00 0.00 178.00 178.75 3iam n THR 52 N -4.48 0.00 -0.16 -1.15 -2.24 -1.26 -5.08 114.28 99.92 3iam n THR 52 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3iam n THR 52 Cb 0.28 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 3iam n THR 52 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3iam n THR 53 N 0.00 0.33 -3.67 4.28 -2.24 -1.26 -5.02 114.28 106.70 3iam n THR 53 Ca 0.00 -0.59 -0.37 0.00 -2.27 0.00 0.00 64.05 60.83 3iam n THR 53 Cb 0.00 0.93 -0.10 0.00 -2.10 0.00 0.00 70.33 69.06 3iam n THR 53 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3iam s ILE 54 N -0.33 5.23 -0.26 2.28 -4.36 -1.26 -1.32 121.20 121.18 3iam s ILE 54 Ca 0.00 0.14 -0.03 0.00 -0.26 0.00 0.00 60.65 60.50 3iam s ILE 54 Cb 0.00 -3.45 -0.16 0.00 1.25 0.00 0.00 42.46 40.10 3iam s ILE 54 CO 0.00 0.33 -0.26 0.80 0.24 0.00 0.00 174.94 176.05 3iam n MET 55 N 4.50 0.63 -3.97 0.37 0.00 0.84 -4.84 117.12 114.65 3iam n MET 55 Ca -0.15 0.19 -0.34 0.00 -0.00 0.00 0.00 57.70 57.40 3iam n MET 55 Cb 0.52 -1.52 -0.15 0.00 0.00 0.00 0.00 33.22 32.08 3iam n MET 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 3iam s THR 56 N -2.52 2.90 0.12 1.12 2.01 -0.76 -3.04 115.64 115.47 3iam s THR 56 Ca -0.36 -0.79 0.08 0.00 0.31 0.00 0.00 61.69 60.94 3iam s THR 56 Cb 0.11 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 3iam s THR 56 CO 0.57 0.37 -0.20 0.00 -0.69 0.00 0.00 174.62 174.67 3iam s ALA 57 N 1.38 1.86 0.08 7.40 0.00 -0.12 0.83 121.76 133.18 3iam s ALA 57 Ca 0.04 -1.32 -0.03 0.00 0.00 0.00 0.00 51.96 50.64 3iam s ALA 57 Cb -0.15 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 3iam s ALA 57 CO -0.06 0.31 0.05 -1.54 0.00 0.00 0.00 175.76 174.53 3iam s SER 58 N -2.16 0.35 -0.38 0.00 1.04 -0.29 -0.86 113.70 111.40 3iam s SER 58 Ca 0.09 -0.94 -0.00 0.00 0.48 0.00 0.00 55.95 55.58 3iam s SER 58 Cb -0.09 0.26 0.10 0.00 0.10 0.00 0.00 66.02 66.40 3iam s SER 58 CO 0.05 -0.66 0.13 -0.76 0.98 0.00 0.00 173.24 172.98 3iam s LEU 59 N -2.93 5.00 0.45 2.42 1.43 -0.98 -1.53 118.68 122.54 3iam s LEU 59 Ca 0.10 -2.05 0.08 0.00 -1.03 0.00 0.00 54.13 51.23 3iam s LEU 59 Cb 0.07 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.57 3iam s LEU 59 CO -0.08 -0.47 0.60 -0.44 0.23 0.00 0.00 176.35 176.19 3iam s SER 60 N 1.43 5.49 0.00 2.29 0.01 -0.38 -1.30 113.70 121.24 3iam s SER 60 Ca 0.09 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.80 3iam s SER 60 Cb -0.21 -0.44 0.00 0.00 0.21 0.00 0.00 66.02 65.57 3iam s SER 60 CO -0.06 -0.87 0.00 -0.90 0.41 0.00 0.00 173.24 171.82 3iam n ASP 61 N -1.90 0.19 -0.22 2.44 5.68 -0.80 -3.14 116.55 118.80 3iam n ASP 61 Ca 0.09 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.32 3iam n ASP 61 Cb 0.60 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.62 3iam n ASP 61 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3iam h GLY 62 N 0.00 0.89 1.47 6.12 0.00 -1.89 -2.75 103.07 106.92 3iam h GLY 62 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3iam h GLY 62 CO 0.00 0.35 -0.14 1.04 0.00 0.00 0.00 176.54 177.79 3iam n LEU 63 N -4.62 0.22 0.00 3.11 4.32 -1.26 -4.92 117.00 113.85 3iam n LEU 63 Ca 0.05 0.25 0.00 0.00 -0.02 0.00 0.00 56.01 56.28 3iam n LEU 63 Cb 0.04 -0.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.50 3iam n LEU 63 CO 0.36 0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.19 3iam n GLY 64 N 1.42 0.69 3.72 -0.72 0.00 -1.04 -5.05 105.19 104.21 3iam n GLY 64 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3iam n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iam s GLU 65 N -0.62 4.58 0.16 1.61 0.41 -1.26 -4.53 118.70 119.04 3iam s GLU 65 Ca 0.00 1.51 -0.30 0.00 -0.41 0.00 0.00 54.97 55.77 3iam s GLU 65 Cb 0.00 -3.40 -0.07 0.00 -1.78 0.00 0.00 34.13 28.87 3iam s GLU 65 CO 0.00 -0.00 1.18 -2.14 -0.49 0.00 0.00 175.26 173.81 3iam s PRO 66 N 0.63 4.50 0.00 0.39 0.02 -1.26 -1.90 135.00 137.38 3iam s PRO 66 Ca 0.52 1.83 0.11 0.00 0.02 0.00 0.00 61.00 63.48 3iam s PRO 66 Cb -0.24 -3.27 0.05 0.00 0.02 0.00 0.00 34.50 31.06 3iam s PRO 66 CO 0.29 -0.09 0.77 1.97 -0.33 0.00 0.00 177.00 179.61 3iam n PHE 67 N 2.77 0.00 -3.74 6.54 1.16 -0.42 -4.59 117.46 119.18 3iam n PHE 67 Ca 0.05 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.50 3iam n PHE 67 Cb 0.45 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.22 3iam n PHE 67 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 3iam s LEU 68 N -1.31 0.49 0.08 5.98 1.98 -1.17 -4.29 118.68 120.44 3iam s LEU 68 Ca 0.11 0.75 0.06 0.00 -2.89 0.00 0.00 54.13 52.16 3iam s LEU 68 Cb 0.09 1.24 -0.03 0.00 0.66 0.00 0.00 46.19 48.16 3iam s LEU 68 CO 0.21 -0.14 -0.15 -0.76 -1.89 0.00 0.00 176.35 173.62 3iam s LEU 69 N 0.42 2.29 -0.08 -0.68 1.43 0.06 -2.31 118.68 119.82 3iam s LEU 69 Ca -0.02 -0.65 -0.03 0.00 -1.03 0.00 0.00 54.13 52.40 3iam s LEU 69 Cb -0.04 -0.55 0.04 0.00 0.03 0.00 0.00 46.19 45.67 3iam s LEU 69 CO -0.02 -0.07 0.17 0.00 0.23 0.00 0.00 176.35 176.66 3iam s ALA 70 N -1.37 -0.34 0.19 4.21 0.00 -0.04 -1.93 121.76 122.48 3iam s ALA 70 Ca 0.00 0.76 -0.00 0.00 0.00 0.00 0.00 51.96 52.72 3iam s ALA 70 Cb -0.09 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 3iam s ALA 70 CO 0.03 -0.19 0.09 0.16 0.00 0.00 0.00 175.76 175.84 3iam s ASP 71 N 1.26 0.54 -0.11 0.00 -4.77 -0.66 -0.95 116.67 111.99 3iam s ASP 71 Ca -0.09 -1.31 -0.08 0.00 -3.30 0.00 0.00 52.55 47.78 3iam s ASP 71 Cb -0.11 0.28 0.04 0.00 -1.09 0.00 0.00 42.92 42.03 3iam s ASP 71 CO -0.07 -0.75 0.27 0.54 0.70 0.00 0.00 175.17 175.86 3iam s VAL 72 N -3.98 -0.02 0.26 2.11 0.11 -1.17 0.31 120.40 118.02 3iam s VAL 72 Ca 0.33 0.07 -0.31 0.00 -2.93 0.00 0.00 61.98 59.14 3iam s VAL 72 Cb 0.07 -0.40 -0.11 0.00 -1.53 0.00 0.00 36.38 34.41 3iam s VAL 72 CO 0.08 0.03 1.63 -0.44 -3.33 0.00 0.00 175.10 173.07 3iam s SER 73 N 0.70 6.40 1.08 3.54 0.01 -1.08 -4.93 113.70 119.42 3iam s SER 73 Ca -0.05 2.89 -0.20 0.00 1.31 0.00 0.00 55.95 59.90 3iam s SER 73 Cb -0.06 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.57 3iam s SER 73 CO -0.04 -0.92 -0.35 -0.81 0.41 0.00 0.00 173.24 171.53 3iam n PRO 74 N 2.85 -1.09 0.27 12.44 -0.04 -1.26 -4.89 135.00 143.28 3iam n PRO 74 Ca 0.11 -0.30 -0.16 0.00 -0.04 0.00 0.00 63.50 63.11 3iam n PRO 74 Cb 0.37 -1.53 -0.08 0.00 -0.04 0.00 0.00 33.50 32.22 3iam n PRO 74 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 3iam h ARG 75 N -1.75 -0.64 -1.15 0.54 0.11 -1.98 -3.14 114.38 106.37 3iam h ARG 75 Ca -0.49 0.04 -0.15 0.00 0.10 0.00 0.00 59.98 59.48 3iam h ARG 75 Cb 1.36 0.15 -0.09 0.00 1.11 0.00 0.00 29.97 32.50 3iam h ARG 75 CO 0.34 -0.39 0.20 0.72 0.10 0.00 0.00 179.97 180.93 3iam n HIS 76 N -5.34 0.87 -4.22 4.08 8.25 -1.26 -4.88 115.22 112.71 3iam n HIS 76 Ca -0.12 -1.02 -0.24 0.00 -0.26 0.00 0.00 57.72 56.08 3iam n HIS 76 Cb 0.29 -0.51 -0.07 0.00 1.12 0.00 0.00 29.99 30.82 3iam n HIS 76 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3iam s ALA 77 N -0.95 3.27 0.12 -1.41 0.00 -1.19 -5.13 121.76 116.47 3iam s ALA 77 Ca 0.16 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 50.67 3iam s ALA 77 Cb 0.14 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 3iam s ALA 77 CO 0.02 0.37 0.25 0.21 0.00 0.00 0.00 175.76 176.62 3iam s LYS 78 N -3.36 3.43 -0.77 0.00 2.47 -1.26 -4.61 119.74 115.65 3iam s LYS 78 Ca 0.30 -0.55 -0.00 0.00 -1.56 0.00 0.00 55.97 54.16 3iam s LYS 78 Cb -0.08 -2.99 0.00 0.00 -1.46 0.00 0.00 37.83 33.30 3iam s LYS 78 CO 0.20 0.55 0.67 1.28 0.16 0.00 0.00 175.35 178.21 3iam n LEU 79 N -0.23 -5.25 -4.75 5.43 4.32 -1.26 -4.93 117.00 110.33 3iam n LEU 79 Ca -0.06 -0.35 -0.40 0.00 -0.02 0.00 0.00 56.01 55.18 3iam n LEU 79 Cb 0.53 -2.78 -0.05 0.00 -1.62 0.00 0.00 43.42 39.49 3iam n LEU 79 CO 0.50 -0.65 0.48 -0.54 -1.22 0.00 0.00 177.39 175.95 3iam s LYS 80 N -3.61 4.52 0.14 3.23 1.02 -1.26 -5.01 119.74 118.76 3iam s LYS 80 Ca 0.00 1.10 -0.16 0.00 0.02 0.00 0.00 55.97 56.94 3iam s LYS 80 Cb -0.00 -3.35 0.03 0.00 -0.52 0.00 0.00 37.83 33.99 3iam s LYS 80 CO 0.80 0.33 0.41 -0.98 -0.92 0.00 0.00 175.35 174.98 3iam s ARG 81 N -0.23 1.12 0.15 1.68 3.03 -1.26 -4.93 118.95 118.51 3iam s ARG 81 Ca 0.38 -0.78 0.03 0.00 2.03 0.00 0.00 55.73 57.40 3iam s ARG 81 Cb -0.21 0.47 -0.04 0.00 -1.03 0.00 0.00 34.95 34.14 3iam s ARG 81 CO 0.24 -0.44 0.26 -1.50 -1.13 0.00 0.00 175.30 172.73 3iam s ILE 82 N -3.83 5.19 -0.07 4.99 2.07 -0.66 -2.64 121.20 126.25 3iam s ILE 82 Ca 0.05 -0.75 -0.01 0.00 -1.41 0.00 0.00 60.65 58.53 3iam s ILE 82 Cb 0.02 -3.67 0.03 0.00 0.13 0.00 0.00 42.46 38.96 3iam s ILE 82 CO -0.10 -0.10 -0.02 -0.83 -1.91 0.00 0.00 174.94 171.99 3iam s GLY 83 N -3.22 0.49 -0.22 1.50 0.00 0.15 -2.60 107.32 103.42 3iam s GLY 83 Ca 0.34 -0.14 -0.06 0.00 0.00 0.00 0.00 44.72 44.86 3iam s GLY 83 CO 0.28 0.90 0.04 1.08 0.00 0.00 0.00 173.10 175.39 3iam s LEU 84 N 1.63 3.37 -0.06 0.66 1.43 -1.10 -1.65 118.68 122.96 3iam s LEU 84 Ca 0.00 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 3iam s LEU 84 Cb -0.13 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.24 3iam s LEU 84 CO -0.04 0.02 -0.03 -0.60 0.23 0.00 0.00 176.35 175.93 3iam s ARG 85 N 1.27 0.82 -0.47 1.70 3.00 -0.81 -0.57 118.95 123.90 3iam s ARG 85 Ca 0.04 -0.04 -0.19 0.00 -1.00 0.00 0.00 55.73 54.53 3iam s ARG 85 Cb -0.15 -0.97 0.04 0.00 0.00 0.00 0.00 34.95 33.87 3iam s ARG 85 CO 0.02 -0.18 0.60 -0.51 0.00 0.00 0.00 175.30 175.24 3iam s LEU 86 N 1.39 4.75 0.00 -0.88 1.43 -0.56 -0.76 118.68 124.05 3iam s LEU 86 Ca -0.04 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 3iam s LEU 86 Cb -0.13 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.54 3iam s LEU 86 CO -0.03 -0.80 0.00 -2.65 0.23 0.00 0.00 176.35 173.10 3iam n PRO 87 N 6.13 0.00 0.00 1.29 -0.02 -1.26 -2.99 135.00 138.15 3iam n PRO 87 Ca -0.05 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.47 3iam n PRO 87 Cb 0.47 -0.26 0.16 0.00 -0.02 0.00 0.00 33.50 33.85 3iam n PRO 87 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3iam n ARG 88 N 0.00 0.01 -0.91 -0.52 1.74 -1.26 -3.23 116.66 112.50 3iam n ARG 88 Ca 0.00 0.36 0.04 0.00 -0.77 0.00 0.00 57.85 57.48 3iam n ARG 88 Cb 0.00 -1.50 0.38 0.00 -1.02 0.00 0.00 32.46 30.32 3iam n ARG 88 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iam n ALA 89 N -1.48 4.01 -3.95 7.54 0.00 -1.16 -4.97 120.51 120.50 3iam n ALA 89 Ca 0.02 -2.05 -0.40 0.00 0.00 0.00 0.00 53.44 51.01 3iam n ALA 89 Cb 0.08 -1.13 0.02 0.00 0.00 0.00 0.00 19.45 18.43 3iam n ALA 89 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3iam n HIS 90 N 0.39 -1.60 -3.75 0.00 1.44 -1.20 -4.98 115.22 105.52 3iam n HIS 90 Ca 0.30 0.25 -0.28 0.00 -2.01 0.00 0.00 57.72 55.99 3iam n HIS 90 Cb 1.23 -2.94 -0.16 0.00 0.12 0.00 0.00 29.99 28.24 3iam n HIS 90 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3iam s ILE 91 N -3.44 0.64 0.12 0.61 1.01 -1.24 -5.04 121.20 113.85 3iam s ILE 91 Ca 0.43 -0.68 0.07 0.00 0.00 0.00 0.00 60.65 60.46 3iam s ILE 91 Cb -0.22 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 3iam s ILE 91 CO 0.94 -0.23 -0.04 -1.00 0.00 0.00 0.00 174.94 174.60 3iam s HIS 92 N 1.80 2.84 0.01 3.97 3.76 -1.26 -1.50 115.29 124.91 3iam s HIS 92 Ca -0.01 -0.11 -0.00 0.00 -0.15 0.00 0.00 55.06 54.79 3iam s HIS 92 Cb -0.17 -1.44 -0.01 0.00 1.11 0.00 0.00 32.58 32.07 3iam s HIS 92 CO -0.09 0.47 -0.01 -0.51 -0.85 0.00 0.00 174.74 173.75 3iam s LEU 93 N -2.46 2.08 -0.30 0.89 1.02 0.27 -4.99 118.68 115.18 3iam s LEU 93 Ca 0.24 -0.20 -0.01 0.00 0.02 0.00 0.00 54.13 54.18 3iam s LEU 93 Cb -0.11 0.06 0.10 0.00 0.02 0.00 0.00 46.19 46.26 3iam s LEU 93 CO 0.16 -0.13 0.10 -1.00 0.02 0.00 0.00 176.35 175.50 3iam s HIS 94 N -0.62 1.50 -0.21 0.29 3.76 -1.26 -2.72 115.29 116.03 3iam s HIS 94 Ca -0.07 -1.60 -0.14 0.00 -0.15 0.00 0.00 55.06 53.11 3iam s HIS 94 Cb -0.04 -1.59 -0.04 0.00 1.11 0.00 0.00 32.58 32.02 3iam s HIS 94 CO -0.00 -0.86 0.31 0.00 -0.85 0.00 0.00 174.74 173.34 3iam s ALA 95 N 1.69 3.58 0.00 -1.40 0.00 -1.07 -4.20 121.76 120.36 3iam s ALA 95 Ca 0.09 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.43 3iam s ALA 95 Cb -0.17 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.44 3iam s ALA 95 CO -0.26 -0.21 0.00 0.72 0.00 0.00 0.00 175.76 176.00 3iam n HIS 96 N 4.29 -0.64 -3.73 0.00 8.25 -0.56 -1.66 115.22 121.18 3iam n HIS 96 Ca -0.11 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.10 3iam n HIS 96 Cb 0.51 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.45 3iam n HIS 96 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3iam s TYR 97 N 0.78 0.72 0.07 4.41 5.04 -1.26 -2.77 117.35 124.34 3iam s TYR 97 Ca 0.00 -0.45 -0.14 0.00 -2.44 0.00 0.00 57.07 54.05 3iam s TYR 97 Cb 0.00 -0.86 -0.06 0.00 0.35 0.00 0.00 41.96 41.39 3iam s TYR 97 CO 0.00 -0.46 0.47 -1.21 -1.34 0.00 0.00 175.55 173.01 3iam s GLU 98 N 1.96 3.93 -0.04 4.97 0.41 -0.73 -4.98 118.70 124.21 3iam s GLU 98 Ca 0.02 0.41 -0.30 0.00 -0.41 0.00 0.00 54.97 54.70 3iam s GLU 98 Cb -0.15 -3.08 -0.05 0.00 -1.78 0.00 0.00 34.13 29.08 3iam s GLU 98 CO -0.07 0.59 1.48 -1.25 -0.49 0.00 0.00 175.26 175.52 3iam s PRO 99 N -1.57 4.23 0.00 0.39 0.04 -1.26 -2.75 135.00 134.08 3iam s PRO 99 Ca 0.31 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.37 3iam s PRO 99 Cb -0.16 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.63 3iam s PRO 99 CO 0.17 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 176.92 3iam n GLY 100 N 3.83 1.71 0.37 0.56 0.00 -1.26 -4.83 105.19 105.57 3iam n GLY 100 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 3iam n GLY 100 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iam n LYS 101 N -2.00 0.01 -1.34 1.61 4.76 -1.16 -5.16 118.16 114.87 3iam n LYS 101 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3iam n LYS 101 Cb 0.00 -0.34 0.00 0.00 -1.84 0.00 0.00 35.03 32.85 3iam n LYS 101 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3iam n GLY 102 N 2.24 0.47 3.56 0.72 0.00 -1.11 -5.01 105.19 106.06 3iam n GLY 102 Ca -0.00 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 3iam n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iam s LEU 103 N 0.00 3.30 0.12 0.99 2.96 -1.26 -1.77 118.68 123.01 3iam s LEU 103 Ca 0.00 -0.02 0.08 0.00 -0.22 0.00 0.00 54.13 53.96 3iam s LEU 103 Cb 0.00 -2.80 -0.04 0.00 0.50 0.00 0.00 46.19 43.85 3iam s LEU 103 CO 0.00 -1.82 -0.11 0.68 -1.32 0.00 0.00 176.35 173.78 3iam s VAL 104 N 6.20 3.28 -0.97 1.68 -7.23 -1.11 -0.29 120.40 121.95 3iam s VAL 104 Ca 0.46 -1.37 -0.08 0.00 -1.81 0.00 0.00 61.98 59.19 3iam s VAL 104 Cb -0.10 -2.55 0.24 0.00 0.56 0.00 0.00 36.38 34.54 3iam s VAL 104 CO 0.20 0.07 0.92 0.42 -0.31 0.00 0.00 175.10 176.40 3iam s THR 105 N -1.30 5.37 0.00 5.32 -4.23 -0.00 -1.49 115.64 119.31 3iam s THR 105 Ca 0.22 -3.33 0.00 0.00 -1.18 0.00 0.00 61.69 57.40 3iam s THR 105 Cb -0.11 -4.28 0.00 0.00 1.34 0.00 0.00 72.50 69.46 3iam s THR 105 CO 0.14 -1.11 0.00 0.61 -0.54 0.00 0.00 174.62 173.71 3iam n GLY 106 N 2.90 1.26 0.00 3.99 0.00 -1.26 -3.22 105.19 108.86 3iam n GLY 106 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3iam n GLY 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iam n LYS 107 N 0.00 1.78 -3.38 1.61 5.02 -1.26 -5.11 118.16 116.82 3iam n LYS 107 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 3iam n LYS 107 Cb 0.00 -0.19 -0.06 0.00 -0.02 0.00 0.00 35.03 34.76 3iam n LYS 107 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3iam s ILE 108 N -0.21 5.16 0.03 -0.18 1.09 -1.20 -5.03 121.20 120.87 3iam s ILE 108 Ca 0.00 0.88 -0.30 0.00 -1.10 0.00 0.00 60.65 60.13 3iam s ILE 108 Cb 0.00 -3.77 -0.08 0.00 -1.06 0.00 0.00 42.46 37.54 3iam s ILE 108 CO 0.00 0.39 1.85 -2.84 -0.10 0.00 0.00 174.94 174.24 3iam s PRO 109 N 0.23 4.15 -1.16 2.79 0.02 -1.26 -0.82 135.00 138.96 3iam s PRO 109 Ca 0.24 2.49 -0.17 0.00 0.02 0.00 0.00 61.00 63.59 3iam s PRO 109 Cb -0.15 -3.98 0.12 0.00 0.02 0.00 0.00 34.50 30.51 3iam s PRO 109 CO 0.10 -0.89 1.46 -1.17 -0.33 0.00 0.00 177.00 176.17 3iam s LEU 110 N 3.91 4.54 0.85 -5.54 2.96 0.60 -4.90 118.68 121.10 3iam s LEU 110 Ca 0.83 -2.48 -0.09 0.00 -0.22 0.00 0.00 54.13 52.17 3iam s LEU 110 Cb -0.41 -2.47 0.17 0.00 0.50 0.00 0.00 46.19 43.98 3iam s LEU 110 CO 0.37 -1.01 1.17 0.42 -1.32 0.00 0.00 176.35 175.98 3iam s THR 111 N 2.91 2.05 0.31 3.68 -4.23 -1.26 -4.83 115.64 114.27 3iam s THR 111 Ca 0.44 -0.28 0.11 0.00 -1.18 0.00 0.00 61.69 60.78 3iam s THR 111 Cb -0.01 -2.77 0.03 0.00 1.34 0.00 0.00 72.50 71.08 3iam s THR 111 CO -0.01 0.00 1.71 0.50 -0.54 0.00 0.00 174.62 176.28 3iam h LYS 112 N -1.13 0.03 0.58 3.99 3.64 -1.99 -2.23 116.57 119.46 3iam h LYS 112 Ca -0.40 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 58.93 3iam h LYS 112 Cb 1.25 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.08 3iam h LYS 112 CO 0.39 0.52 -0.28 0.93 -2.27 0.00 0.00 179.45 178.74 3iam h GLU 113 N 0.02 -0.75 -0.42 1.90 4.39 -1.98 -2.65 114.58 115.08 3iam h GLU 113 Ca -0.00 0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.75 3iam h GLU 113 Cb 0.89 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 3iam h GLU 113 CO 0.07 -0.44 0.28 -0.09 -1.16 0.00 0.00 179.01 177.67 3iam h ARG 114 N -1.04 0.55 0.66 2.33 2.43 -1.90 -2.82 114.38 114.58 3iam h ARG 114 Ca -0.08 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 3iam h ARG 114 Cb 0.66 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3iam h ARG 114 CO 0.13 0.36 -0.32 0.35 -1.51 0.00 0.00 179.97 178.99 3iam h PHE 115 N 0.56 -0.82 -1.09 2.20 3.57 -1.44 -3.00 116.94 116.93 3iam h PHE 115 Ca 0.16 -0.02 0.31 0.00 3.53 0.00 0.00 57.97 61.95 3iam h PHE 115 Cb -0.05 0.27 -0.11 0.00 2.79 0.00 0.00 35.95 38.84 3iam h PHE 115 CO -0.00 -0.47 0.69 0.74 -2.23 0.00 0.00 178.31 177.03 3iam h PHE 116 N -1.13 0.71 0.18 0.41 -1.00 -1.30 -0.58 116.94 114.23 3iam h PHE 116 Ca -0.09 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.72 3iam h PHE 116 Cb 0.71 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 40.07 3iam h PHE 116 CO 0.00 -0.03 -0.14 0.00 -1.61 0.00 0.00 178.31 176.53 3iam h ALA 117 N 1.66 -0.30 -0.44 2.45 0.00 -1.43 0.22 119.26 121.41 3iam h ALA 117 Ca 0.67 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.59 3iam h ALA 117 Cb 1.73 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 19.65 3iam h ALA 117 CO -0.39 -0.69 0.12 1.25 0.00 0.00 0.00 179.25 179.55 3iam h LEU 118 N -0.33 0.09 -0.41 0.00 5.85 -1.00 0.46 115.31 119.97 3iam h LEU 118 Ca -0.01 0.06 -0.18 0.00 0.84 0.00 0.00 57.88 58.60 3iam h LEU 118 Cb 0.29 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 3iam h LEU 118 CO -0.01 0.08 -0.61 0.00 -0.34 0.00 0.00 178.44 177.56 3iam h ALA 119 N 1.32 0.59 -0.02 1.25 0.00 -1.19 0.10 119.26 121.30 3iam h ALA 119 Ca 0.21 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3iam h ALA 119 Cb 0.24 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3iam h ALA 119 CO -0.25 0.70 -0.00 -0.44 0.00 0.00 0.00 179.25 179.26 3iam h ASP 120 N 0.46 0.03 -0.78 0.00 3.32 -0.81 0.12 116.42 118.76 3iam h ASP 120 Ca -0.01 -0.33 0.12 0.00 0.02 0.00 0.00 57.03 56.83 3iam h ASP 120 Cb 1.18 -0.01 -0.08 0.00 0.22 0.00 0.00 39.33 40.64 3iam h ASP 120 CO 0.12 0.35 0.39 0.03 -1.72 0.00 0.00 179.24 178.41 3iam h ARG 121 N -0.29 0.60 -0.16 3.56 2.47 -0.83 -1.27 114.38 118.46 3iam h ARG 121 Ca 0.00 -0.04 -0.15 0.00 -1.26 0.00 0.00 59.98 58.54 3iam h ARG 121 Cb 0.33 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 3iam h ARG 121 CO 0.00 0.40 -0.53 0.00 0.56 0.00 0.00 179.97 180.40 3iam h ALA 122 N 1.49 0.80 0.06 0.04 0.00 -0.82 -2.92 119.26 117.91 3iam h ALA 122 Ca 0.40 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3iam h ALA 122 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3iam h ALA 122 CO -0.31 0.68 -0.03 -0.09 0.00 0.00 0.00 179.25 179.50 3iam h ARG 123 N 0.35 -0.08 -0.13 0.00 2.43 0.31 -0.29 114.38 116.96 3iam h ARG 123 Ca 0.01 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3iam h ARG 123 Cb 1.04 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 3iam h ARG 123 CO 0.09 0.21 -0.00 0.93 -1.51 0.00 0.00 179.97 179.69 3iam h GLU 124 N -0.36 0.04 0.12 0.20 5.08 -1.30 -2.93 114.58 115.42 3iam h GLU 124 Ca -0.01 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3iam h GLU 124 Cb 0.32 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3iam h GLU 124 CO 0.01 0.02 -0.06 0.00 -1.00 0.00 0.00 179.01 177.99 3iam h ALA 125 N 1.11 -0.48 0.00 3.43 0.00 -1.56 -3.40 119.26 118.37 3iam h ALA 125 Ca 0.06 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3iam h ALA 125 Cb 0.07 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3iam h ALA 125 CO -0.11 -0.46 -0.62 -0.07 0.00 0.00 0.00 179.25 177.99 3iam h LEU 126 N -0.32 0.00 -9.19 0.00 3.38 -1.15 -3.45 115.31 104.57 3iam h LEU 126 Ca -0.02 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.36 3iam h LEU 126 Cb 0.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.89 3iam h LEU 126 CO 0.03 0.62 1.23 0.00 0.09 0.00 0.00 178.44 180.41 3iam n ALA 127 N -2.41 1.25 -0.05 1.53 0.00 -1.11 -4.90 120.51 114.83 3iam n ALA 127 Ca -0.01 0.14 -0.15 0.00 0.00 0.00 0.00 53.44 53.42 3iam n ALA 127 Cb 0.62 -2.63 -0.07 0.00 0.00 0.00 0.00 19.45 17.37 3iam n ALA 127 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3iam h PHE 128 N 10.88 0.71 0.00 0.00 -1.00 -1.90 -3.49 116.94 122.13 3iam h PHE 128 Ca -0.46 -0.28 0.00 0.00 2.81 0.00 0.00 57.97 60.04 3iam h PHE 128 Cb 1.26 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 40.70 3iam h PHE 128 CO 0.92 1.04 0.00 0.00 -1.61 0.00 0.00 178.31 178.66