#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 1.87 0.05 0.00 3.41 -1.26 -4.09 113.62 113.61 3iam n SER 4 Ca 0.00 -1.45 0.04 0.00 -0.26 0.00 0.00 58.87 57.21 3iam n SER 4 Cb 0.00 0.20 0.45 0.00 -0.26 0.00 0.00 64.21 64.61 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 2.57 0.37 -0.72 4.04 4.64 -1.98 -1.67 113.55 120.81 3iam h SER 5 Ca 0.00 -0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.35 3iam h SER 5 Cb 0.70 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.64 3iam h SER 5 CO 0.00 0.30 0.43 -0.33 -0.87 0.00 0.00 176.83 176.36 3iam h GLU 6 N 0.44 0.79 -0.04 4.77 5.08 -1.98 0.67 114.58 124.31 3iam h GLU 6 Ca 0.12 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3iam h GLU 6 Cb -0.01 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 3iam h GLU 6 CO -0.02 0.52 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.41 3iam h ARG 7 N 0.81 0.07 0.00 2.33 2.43 -1.64 -3.05 114.38 115.34 3iam h ARG 7 Ca 0.31 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3iam h ARG 7 Cb 0.12 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3iam h ARG 7 CO -0.15 0.42 0.00 1.49 -1.51 0.00 0.00 179.97 180.22 3iam h GLU 8 N -0.28 0.00 0.07 0.20 4.57 -1.03 -2.40 114.58 115.72 3iam h GLU 8 Ca 0.01 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3iam h GLU 8 Cb 0.39 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 3iam h GLU 8 CO 0.00 0.00 -0.03 1.25 -1.18 0.00 0.00 179.01 179.05 3iam h LEU 9 N 0.00 -0.08 -1.69 1.64 5.85 -0.75 -2.82 115.31 117.46 3iam h LEU 9 Ca 0.00 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 3iam h LEU 9 Cb 0.20 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3iam h LEU 9 CO 0.00 0.32 -0.17 1.88 -0.34 0.00 0.00 178.44 180.13 3iam h TYR 10 N -0.49 0.00 -0.33 1.25 0.05 -1.46 0.06 116.97 116.05 3iam h TYR 10 Ca -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 3iam h TYR 10 Cb 0.42 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.15 3iam h TYR 10 CO 0.06 0.17 0.18 1.49 -1.05 0.00 0.00 178.16 179.00 3iam h GLU 11 N 0.00 0.45 0.09 4.88 4.81 -1.29 -1.67 114.58 121.85 3iam h GLU 11 Ca -0.00 -0.04 -0.30 0.00 -0.13 0.00 0.00 59.36 58.89 3iam h GLU 11 Cb 0.30 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3iam h GLU 11 CO 0.02 0.33 -1.55 0.00 -0.73 0.00 0.00 179.01 177.09 3iam h ALA 12 N 1.74 0.36 -0.60 2.92 0.00 -0.97 -3.27 119.26 119.44 3iam h ALA 12 Ca 0.12 -1.16 0.05 0.00 0.00 0.00 0.00 54.91 53.92 3iam h ALA 12 Cb 0.02 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3iam h ALA 12 CO -0.02 1.22 0.40 2.35 0.00 0.00 0.00 179.25 183.20 3iam h TRP 13 N 0.05 0.61 -0.15 0.00 2.91 -0.33 0.90 115.95 119.94 3iam h TRP 13 Ca -0.24 0.02 -0.14 0.00 1.13 0.00 0.00 58.89 59.66 3iam h TRP 13 Cb 2.00 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 30.43 3iam h TRP 13 CO 0.05 0.34 -0.49 0.28 -1.03 0.00 0.00 178.44 177.58 3iam h VAL 14 N 0.62 1.33 -0.31 2.65 2.07 -1.44 -2.59 116.25 118.57 3iam h VAL 14 Ca 0.25 -1.72 -0.16 0.00 0.82 0.00 0.00 66.70 65.89 3iam h VAL 14 Cb 0.22 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3iam h VAL 14 CO -0.07 0.52 -0.43 -0.08 0.02 0.00 0.00 177.57 177.53 3iam h GLU 15 N 0.32 0.85 -0.30 1.57 4.81 -1.03 -0.62 114.58 120.17 3iam h GLU 15 Ca 0.02 -0.49 0.01 0.00 -0.13 0.00 0.00 59.36 58.76 3iam h GLU 15 Cb 0.98 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 3iam h GLU 15 CO 0.08 1.13 0.17 1.25 -0.73 0.00 0.00 179.01 180.92 3iam h LEU 16 N 0.63 0.28 -0.81 1.64 7.12 -0.91 -1.09 115.31 122.16 3iam h LEU 16 Ca 0.03 0.00 0.12 0.00 0.13 0.00 0.00 57.88 58.17 3iam h LEU 16 Cb 1.03 -0.06 -0.08 0.00 -0.53 0.00 0.00 40.66 41.02 3iam h LEU 16 CO 0.10 0.21 0.43 -0.07 -0.13 0.00 0.00 178.44 178.98 3iam h LEU 17 N 0.36 0.55 -0.60 2.25 3.38 -1.09 -0.65 115.31 119.52 3iam h LEU 17 Ca 0.12 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3iam h LEU 17 Cb 0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3iam h LEU 17 CO -0.06 0.28 0.37 0.28 0.09 0.00 0.00 178.44 179.40 3iam h SER 18 N 0.67 0.72 -0.23 -0.43 0.02 0.09 -0.05 113.55 114.34 3iam h SER 18 Ca 0.42 -0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.34 3iam h SER 18 Cb 0.51 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 3iam h SER 18 CO -0.31 0.56 0.10 -0.50 -1.14 0.00 0.00 176.83 175.53 3iam h TRP 19 N 0.81 0.18 -0.65 3.45 6.55 -0.53 -0.15 115.95 125.61 3iam h TRP 19 Ca 0.22 0.01 0.08 0.00 0.95 0.00 0.00 58.89 60.14 3iam h TRP 19 Cb -0.03 -0.05 -0.06 0.00 -0.86 0.00 0.00 29.16 28.15 3iam h TRP 19 CO -0.02 0.10 0.32 0.52 -1.05 0.00 0.00 178.44 178.31 3iam h MET 20 N 0.22 0.56 -0.03 0.49 2.86 -0.53 0.50 114.93 118.98 3iam h MET 20 Ca 0.10 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.57 3iam h MET 20 Cb 0.04 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 3iam h MET 20 CO -0.08 0.37 -0.58 0.00 1.06 0.00 0.00 176.91 177.68 3iam h ARG 21 N 0.57 0.11 0.69 1.72 3.08 -0.46 -1.37 114.38 118.72 3iam h ARG 21 Ca 0.31 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.26 3iam h ARG 21 Cb 0.29 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.36 3iam h ARG 21 CO -0.24 0.65 -0.33 1.49 -1.07 0.00 0.00 179.97 180.47 3iam h GLU 22 N 0.08 -0.89 -0.73 0.04 4.81 0.08 -2.67 114.58 115.30 3iam h GLU 22 Ca -0.00 0.06 0.16 0.00 -0.13 0.00 0.00 59.36 59.45 3iam h GLU 22 Cb 1.04 0.20 -0.12 0.00 0.63 0.00 0.00 28.75 30.51 3iam h GLU 22 CO 0.08 -0.58 0.09 -0.92 -0.73 0.00 0.00 179.01 176.96 3iam h TYR 23 N -1.20 0.12 -0.82 0.92 5.03 -0.94 0.43 116.97 120.50 3iam h TYR 23 Ca -0.09 0.05 0.06 0.00 2.58 0.00 0.00 58.73 61.32 3iam h TYR 23 Cb 0.73 0.06 -0.06 0.00 1.55 0.00 0.00 36.73 39.01 3iam h TYR 23 CO 0.00 -0.16 0.50 0.00 -1.32 0.00 0.00 178.16 177.18 3iam h ALA 24 N 1.64 1.12 0.00 1.82 0.00 -1.20 0.26 119.26 122.91 3iam h ALA 24 Ca 0.41 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.24 3iam h ALA 24 Cb 0.71 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3iam h ALA 24 CO -0.57 0.23 -0.76 1.96 0.00 0.00 0.00 179.25 180.11 3iam h GLN 25 N 0.92 0.00 0.03 0.00 1.08 -1.06 0.44 115.11 116.51 3iam h GLN 25 Ca 0.36 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 57.30 3iam h GLN 25 Cb 0.17 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 3iam h GLN 25 CO -0.17 0.22 -1.35 0.00 -0.95 0.00 0.00 178.83 176.57 3iam h ALA 26 N 1.71 0.47 -0.14 3.87 0.00 0.08 -3.14 119.26 122.11 3iam h ALA 26 Ca -0.04 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.73 3iam h ALA 26 Cb 1.26 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3iam h ALA 26 CO 0.03 1.33 0.00 1.63 0.00 0.00 0.00 179.25 182.24 3iam n LYS 27 N -3.28 2.19 -3.33 0.00 4.76 0.82 -5.00 118.16 114.31 3iam n LYS 27 Ca -0.09 -1.95 -0.15 0.00 -2.87 0.00 0.00 58.31 53.25 3iam n LYS 27 Cb 1.00 -1.44 0.04 0.00 -1.84 0.00 0.00 35.03 32.78 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 1.29 -1.16 3.11 0.72 0.00 -0.82 -5.04 105.19 103.29 3iam n GLY 28 Ca 0.15 0.52 -0.10 0.00 0.00 0.00 0.00 46.02 46.59 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 -3.26 0.50 0.02 1.61 0.11 0.15 -5.01 120.40 114.52 3iam s VAL 29 Ca 0.29 -1.60 -0.30 0.00 -2.93 0.00 0.00 61.98 57.43 3iam s VAL 29 Cb -0.06 -1.25 -0.06 0.00 -1.53 0.00 0.00 36.38 33.47 3iam s VAL 29 CO 0.78 -0.74 1.53 -0.13 -3.33 0.00 0.00 175.10 173.20 3iam s ARG 30 N -3.07 4.24 -0.14 1.54 1.81 -1.18 -4.45 118.95 117.70 3iam s ARG 30 Ca 0.03 2.13 -0.07 0.00 -1.72 0.00 0.00 55.73 56.09 3iam s ARG 30 Cb 0.01 -3.64 -0.04 0.00 -0.45 0.00 0.00 34.95 30.83 3iam s ARG 30 CO -0.04 -0.67 0.13 0.12 -0.68 0.00 0.00 175.30 174.15 3iam s PHE 31 N 2.72 3.52 -0.04 -0.53 2.19 -1.26 -1.21 117.98 123.38 3iam s PHE 31 Ca 0.69 0.45 0.00 0.00 0.33 0.00 0.00 56.93 58.40 3iam s PHE 31 Cb -0.35 -1.99 0.03 0.00 -1.31 0.00 0.00 43.02 39.40 3iam s PHE 31 CO 0.29 0.60 -0.01 -2.00 1.83 0.00 0.00 175.22 175.93 3iam s GLU 32 N -0.66 0.42 -0.07 10.12 2.12 -0.54 -4.94 118.70 125.15 3iam s GLU 32 Ca 0.13 0.05 -0.30 0.00 0.36 0.00 0.00 54.97 55.21 3iam s GLU 32 Cb -0.12 -0.59 -0.04 0.00 0.26 0.00 0.00 34.13 33.64 3iam s GLU 32 CO 0.02 -0.14 1.50 0.21 -0.54 0.00 0.00 175.26 176.31 3iam s LYS 33 N 1.10 4.21 -0.08 4.30 2.20 -1.26 -1.29 119.74 128.92 3iam s LYS 33 Ca -0.09 2.00 0.21 0.00 -0.36 0.00 0.00 55.97 57.73 3iam s LYS 33 Cb -0.14 -3.85 -0.31 0.00 -1.51 0.00 0.00 37.83 32.03 3iam s LYS 33 CO -0.02 -0.76 0.35 -1.91 -0.36 0.00 0.00 175.35 172.65 3iam n GLU 34 N 6.66 0.67 -3.65 4.03 4.07 0.19 -4.96 120.64 127.66 3iam n GLU 34 Ca 0.16 -0.14 -0.02 0.00 -0.06 0.00 0.00 57.16 57.10 3iam n GLU 34 Cb 0.43 -1.52 -0.07 0.00 -0.06 0.00 0.00 31.44 30.23 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 -3.19 -2.36 0.21 4.31 0.00 -0.74 -4.88 121.76 115.11 3iam s ALA 35 Ca -0.09 1.86 -0.11 0.00 0.00 0.00 0.00 51.96 53.63 3iam s ALA 35 Cb 0.11 -1.81 -0.07 0.00 0.00 0.00 0.00 23.12 21.36 3iam s ALA 35 CO 0.88 -0.22 0.55 -0.51 0.00 0.00 0.00 175.76 176.46 3iam s ASP 36 N 0.54 6.68 -0.03 0.00 1.11 -1.26 0.00 116.67 123.71 3iam s ASP 36 Ca -0.00 0.97 -0.35 0.00 0.18 0.00 0.00 52.55 53.34 3iam s ASP 36 Cb -0.04 -2.24 -0.14 0.00 1.07 0.00 0.00 42.92 41.57 3iam s ASP 36 CO -0.13 -0.03 1.71 0.49 1.18 0.00 0.00 175.17 178.39 3iam n PHE 37 N 0.11 2.16 -0.12 4.23 3.01 -0.39 -4.73 117.46 121.72 3iam n PHE 37 Ca -0.01 0.25 0.02 0.00 1.01 0.00 0.00 57.45 58.72 3iam n PHE 37 Cb 0.52 -2.55 0.33 0.00 -0.01 0.00 0.00 39.48 37.77 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 7.37 0.78 0.00 -1.08 0.11 -1.95 -1.55 132.00 135.68 3iam h PRO 38 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3iam h PRO 38 Cb 1.28 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3iam h PRO 38 CO 0.91 0.51 0.00 -0.40 -0.21 0.00 0.00 178.00 178.82 3iam n ASP 39 N -4.45 0.00 -0.07 -2.05 5.75 -1.26 -2.06 116.55 112.42 3iam n ASP 39 Ca 0.06 -0.09 -0.08 0.00 -0.01 0.00 0.00 54.79 54.67 3iam n ASP 39 Cb 0.05 -0.02 -0.08 0.00 -1.03 0.00 0.00 41.12 40.04 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 -1.02 0.00 0.16 2.11 -0.00 -0.59 -3.52 117.46 114.60 3iam n PHE 40 Ca 0.03 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.49 3iam n PHE 40 Cb 0.01 -0.57 0.25 0.00 -0.00 0.00 0.00 39.48 39.17 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 1.22 -0.01 -2.13 2.04 -1.33 -3.25 117.51 114.05 3iam h ILE 41 Ca -0.33 -1.81 0.00 0.00 1.00 0.00 0.00 64.86 63.72 3iam h ILE 41 Cb 1.60 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.70 3iam h ILE 41 CO -0.02 0.49 -0.35 -1.22 0.00 0.00 0.00 178.15 177.05 3iam n TYR 42 N -3.73 0.00 -1.66 1.37 4.01 -0.92 -4.85 117.16 111.38 3iam n TYR 42 Ca -0.01 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.30 3iam n TYR 42 Cb 0.55 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.55 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 -0.50 2.67 0.00 -0.72 0.00 -1.23 -4.89 116.66 111.99 3iam n ARG 43 Ca 0.04 0.97 0.00 0.00 -0.00 0.00 0.00 57.85 58.86 3iam n ARG 43 Cb 0.25 -2.94 0.00 0.00 0.00 0.00 0.00 32.46 29.76 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 7.44 0.00 0.00 -0.14 2.81 -1.26 -4.70 117.12 121.27 3iam n MET 44 Ca 0.21 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.21 3iam n MET 44 Cb 0.38 -0.09 0.05 0.00 -0.71 0.00 0.00 33.22 32.86 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 -0.28 0.03 -1.15 0.03 0.00 -1.26 -5.00 120.64 113.02 3iam n GLU 45 Ca 0.00 -0.00 -0.35 0.00 0.00 0.00 0.00 57.16 56.81 3iam n GLU 45 Cb 0.00 -1.51 0.09 0.00 0.00 0.00 0.00 31.44 30.02 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 -1.55 0.17 -2.50 3.44 1.74 -1.26 -4.97 116.66 111.74 3iam n ARG 46 Ca 0.04 0.10 -0.33 0.00 -0.77 0.00 0.00 57.85 56.90 3iam n ARG 46 Cb 0.34 -1.91 -0.04 0.00 -1.02 0.00 0.00 32.46 29.84 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 -3.10 3.94 -0.24 5.56 0.04 -1.26 -4.98 135.00 134.96 3iam s PRO 47 Ca 0.64 1.08 -0.14 0.00 0.04 0.00 0.00 61.00 62.63 3iam s PRO 47 Cb -0.31 -2.13 0.07 0.00 0.04 0.00 0.00 34.50 32.17 3iam s PRO 47 CO 0.59 -0.28 0.59 -0.47 0.04 0.00 0.00 177.00 177.47 3iam s TYR 48 N -2.40 -0.91 0.00 0.56 6.14 -1.26 -5.06 117.35 114.42 3iam s TYR 48 Ca 0.61 1.84 0.00 0.00 0.64 0.00 0.00 57.07 60.17 3iam s TYR 48 Cb -0.11 0.51 0.00 0.00 0.42 0.00 0.00 41.96 42.78 3iam s TYR 48 CO 0.25 -0.47 0.41 -0.40 0.64 0.00 0.00 175.55 175.99 3iam n ASP 49 N 4.31 0.00 -4.77 4.32 5.75 -1.26 -5.08 116.55 119.82 3iam n ASP 49 Ca -0.21 -1.00 -0.40 0.00 -0.01 0.00 0.00 54.79 53.17 3iam n ASP 49 Cb 0.58 -0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.66 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 4.27 0.48 -2.12 1.02 -1.26 -4.93 118.68 116.14 3iam s LEU 50 Ca 0.00 2.69 0.17 0.00 0.02 0.00 0.00 54.13 57.01 3iam s LEU 50 Cb 0.00 -3.83 1.18 0.00 0.02 0.00 0.00 46.19 43.56 3iam s LEU 50 CO 0.00 -0.78 2.03 -0.65 0.02 0.00 0.00 176.35 176.96 3iam h PRO 51 N 2.85 0.20 0.00 1.29 0.11 -1.97 -3.44 132.00 131.03 3iam h PRO 51 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3iam h PRO 51 Cb 1.24 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3iam h PRO 51 CO 0.63 0.13 0.00 0.25 -0.21 0.00 0.00 178.00 178.81 3iam n THR 52 N -4.46 0.00 -0.18 -1.15 -2.24 -1.26 -5.08 114.28 99.91 3iam n THR 52 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3iam n THR 52 Cb 0.36 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 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 0.26 -3.60 4.28 -2.24 -1.26 -5.02 114.28 106.70 3iam n THR 53 Ca 0.00 -0.54 -0.37 0.00 -2.27 0.00 0.00 64.05 60.87 3iam n THR 53 Cb 0.00 1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.13 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 -0.26 5.32 -0.25 2.28 -4.36 -1.26 -1.27 121.20 121.40 3iam s ILE 54 Ca 0.00 0.23 -0.06 0.00 -0.26 0.00 0.00 60.65 60.57 3iam s ILE 54 Cb 0.00 -3.54 -0.17 0.00 1.25 0.00 0.00 42.46 40.01 3iam s ILE 54 CO 0.00 0.29 -0.18 0.80 0.24 0.00 0.00 174.94 176.09 3iam n MET 55 N 4.66 0.64 -3.98 0.37 0.00 0.10 -4.85 117.12 114.06 3iam n MET 55 Ca -0.14 0.23 -0.34 0.00 -0.00 0.00 0.00 57.70 57.45 3iam n MET 55 Cb 0.52 -1.55 -0.15 0.00 0.00 0.00 0.00 33.22 32.05 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 -2.51 2.89 0.11 1.12 2.01 -0.66 -3.00 115.64 115.60 3iam s THR 56 Ca -0.35 -0.73 0.07 0.00 0.31 0.00 0.00 61.69 61.00 3iam s THR 56 Cb 0.10 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 3iam s THR 56 CO 0.58 0.41 -0.17 0.00 -0.69 0.00 0.00 174.62 174.75 3iam s ALA 57 N 1.39 1.65 0.09 7.40 0.00 0.17 0.55 121.76 133.00 3iam s ALA 57 Ca 0.04 -1.26 -0.04 0.00 0.00 0.00 0.00 51.96 50.71 3iam s ALA 57 Cb -0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 3iam s ALA 57 CO -0.06 0.23 0.08 -1.54 0.00 0.00 0.00 175.76 174.46 3iam s SER 58 N -2.17 0.31 -0.38 0.00 1.04 -0.42 -0.41 113.70 111.68 3iam s SER 58 Ca 0.07 -0.93 0.01 0.00 0.48 0.00 0.00 55.95 55.58 3iam s SER 58 Cb -0.08 0.28 0.11 0.00 0.10 0.00 0.00 66.02 66.43 3iam s SER 58 CO 0.04 -0.69 0.12 -0.76 0.98 0.00 0.00 173.24 172.93 3iam s LEU 59 N -2.93 4.96 0.53 2.42 1.43 -1.04 -1.46 118.68 122.58 3iam s LEU 59 Ca 0.11 -2.14 0.07 0.00 -1.03 0.00 0.00 54.13 51.14 3iam s LEU 59 Cb 0.07 -1.71 0.06 0.00 0.03 0.00 0.00 46.19 44.63 3iam s LEU 59 CO -0.07 -0.44 0.73 -0.44 0.23 0.00 0.00 176.35 176.36 3iam s SER 60 N 1.23 5.24 0.00 2.29 0.01 -0.35 -1.53 113.70 120.59 3iam s SER 60 Ca 0.10 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.79 3iam s SER 60 Cb -0.21 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.85 3iam s SER 60 CO -0.06 -1.17 0.00 -0.90 0.41 0.00 0.00 173.24 171.52 3iam n ASP 61 N -2.17 0.37 -0.23 2.44 5.68 -0.91 -3.11 116.55 118.61 3iam n ASP 61 Ca 0.12 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.36 3iam n ASP 61 Cb 0.60 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.63 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 0.91 1.43 6.12 0.00 -1.89 -2.64 103.07 107.00 3iam h GLY 62 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3iam h GLY 62 CO 0.00 0.33 -0.18 1.04 0.00 0.00 0.00 176.54 177.74 3iam n LEU 63 N -4.63 0.26 0.00 3.11 4.32 -1.26 -4.92 117.00 113.88 3iam n LEU 63 Ca 0.05 0.23 0.00 0.00 -0.02 0.00 0.00 56.01 56.27 3iam n LEU 63 Cb 0.02 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 41.47 3iam n LEU 63 CO 0.36 0.06 0.00 0.61 -1.22 0.00 0.00 177.39 177.19 3iam n GLY 64 N 1.44 0.67 3.70 -0.72 0.00 -1.00 -5.05 105.19 104.24 3iam n GLY 64 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.68 4.52 0.19 1.61 0.41 -1.26 -4.53 118.70 118.95 3iam s GLU 65 Ca 0.00 1.43 -0.30 0.00 -0.41 0.00 0.00 54.97 55.69 3iam s GLU 65 Cb 0.00 -3.48 -0.08 0.00 -1.78 0.00 0.00 34.13 28.79 3iam s GLU 65 CO 0.00 -0.13 1.19 -2.14 -0.49 0.00 0.00 175.26 173.69 3iam s PRO 66 N 1.29 4.50 0.00 0.39 0.02 -1.26 -2.15 135.00 137.79 3iam s PRO 66 Ca 0.51 1.87 0.08 0.00 0.02 0.00 0.00 61.00 63.49 3iam s PRO 66 Cb -0.21 -3.24 0.03 0.00 0.02 0.00 0.00 34.50 31.11 3iam s PRO 66 CO 0.25 -0.07 0.65 1.97 -0.33 0.00 0.00 177.00 179.47 3iam n PHE 67 N 2.40 0.00 -3.77 6.54 1.16 -0.58 -4.59 117.46 118.63 3iam n PHE 67 Ca 0.04 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.49 3iam n PHE 67 Cb 0.45 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.20 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 -1.08 0.81 0.07 5.98 1.98 -1.18 -4.29 118.68 120.96 3iam s LEU 68 Ca 0.08 0.60 0.05 0.00 -2.89 0.00 0.00 54.13 51.97 3iam s LEU 68 Cb 0.07 1.00 -0.03 0.00 0.66 0.00 0.00 46.19 47.89 3iam s LEU 68 CO 0.15 -0.11 -0.14 -0.76 -1.89 0.00 0.00 176.35 173.60 3iam s LEU 69 N 0.28 2.28 -0.06 -0.68 1.43 0.09 -2.49 118.68 119.52 3iam s LEU 69 Ca -0.01 -0.62 -0.03 0.00 -1.03 0.00 0.00 54.13 52.44 3iam s LEU 69 Cb -0.03 -0.51 0.03 0.00 0.03 0.00 0.00 46.19 45.72 3iam s LEU 69 CO -0.01 -0.08 0.15 0.00 0.23 0.00 0.00 176.35 176.64 3iam s ALA 70 N -1.30 -0.29 0.16 4.21 0.00 0.46 -2.05 121.76 122.94 3iam s ALA 70 Ca -0.02 0.63 -0.02 0.00 0.00 0.00 0.00 51.96 52.55 3iam s ALA 70 Cb -0.10 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 3iam s ALA 70 CO 0.02 -0.14 0.10 0.16 0.00 0.00 0.00 175.76 175.90 3iam s ASP 71 N 0.94 0.24 -0.08 0.00 -4.77 -0.74 -0.66 116.67 111.60 3iam s ASP 71 Ca -0.07 -1.24 -0.06 0.00 -3.30 0.00 0.00 52.55 47.88 3iam s ASP 71 Cb -0.09 0.34 0.03 0.00 -1.09 0.00 0.00 42.92 42.10 3iam s ASP 71 CO -0.05 -0.78 0.21 0.54 0.70 0.00 0.00 175.17 175.79 3iam s VAL 72 N -4.08 -0.02 0.23 2.11 0.11 -1.16 0.35 120.40 117.94 3iam s VAL 72 Ca 0.28 0.06 -0.31 0.00 -2.93 0.00 0.00 61.98 59.08 3iam s VAL 72 Cb 0.07 -0.31 -0.11 0.00 -1.53 0.00 0.00 36.38 34.50 3iam s VAL 72 CO 0.05 0.03 1.62 -0.44 -3.33 0.00 0.00 175.10 173.02 3iam s SER 73 N 0.56 6.46 1.08 3.54 0.01 -1.04 -4.92 113.70 119.39 3iam s SER 73 Ca -0.04 2.81 -0.20 0.00 1.31 0.00 0.00 55.95 59.83 3iam s SER 73 Cb -0.05 -2.61 0.03 0.00 0.21 0.00 0.00 66.02 63.60 3iam s SER 73 CO -0.03 -0.89 -0.34 -0.81 0.41 0.00 0.00 173.24 171.58 3iam n PRO 74 N 3.28 -1.14 0.29 12.44 -0.04 -1.26 -4.90 135.00 143.68 3iam n PRO 74 Ca 0.12 -0.32 -0.16 0.00 -0.04 0.00 0.00 63.50 63.10 3iam n PRO 74 Cb 0.37 -1.54 -0.08 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.78 -0.69 -1.26 0.54 0.11 -1.98 -3.15 114.38 106.17 3iam h ARG 75 Ca -0.50 0.05 -0.16 0.00 0.10 0.00 0.00 59.98 59.47 3iam h ARG 75 Cb 1.36 0.16 -0.09 0.00 1.11 0.00 0.00 29.97 32.51 3iam h ARG 75 CO 0.34 -0.43 0.21 0.72 0.10 0.00 0.00 179.97 180.91 3iam n HIS 76 N -5.37 0.88 -4.28 4.08 8.25 -1.26 -4.88 115.22 112.65 3iam n HIS 76 Ca -0.12 -1.13 -0.25 0.00 -0.26 0.00 0.00 57.72 55.96 3iam n HIS 76 Cb 0.31 -0.56 -0.08 0.00 1.12 0.00 0.00 29.99 30.78 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 -0.98 3.11 0.15 -1.41 0.00 -1.19 -5.13 121.76 116.30 3iam s ALA 77 Ca 0.17 -1.54 0.02 0.00 0.00 0.00 0.00 51.96 50.60 3iam s ALA 77 Cb 0.14 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 3iam s ALA 77 CO 0.02 0.37 0.30 0.21 0.00 0.00 0.00 175.76 176.65 3iam s LYS 78 N -3.28 3.45 -0.75 0.00 2.47 -1.26 -4.59 119.74 115.78 3iam s LYS 78 Ca 0.29 -0.54 -0.01 0.00 -1.56 0.00 0.00 55.97 54.14 3iam s LYS 78 Cb -0.08 -2.95 0.00 0.00 -1.46 0.00 0.00 37.83 33.35 3iam s LYS 78 CO 0.18 0.51 0.66 1.28 0.16 0.00 0.00 175.35 178.14 3iam n LEU 79 N -0.50 -5.12 -4.74 5.43 4.32 -1.26 -4.92 117.00 110.20 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 0.54 -2.72 -0.05 0.00 -1.62 0.00 0.00 43.42 39.57 3iam n LEU 79 CO 0.49 -0.65 0.50 -0.54 -1.22 0.00 0.00 177.39 175.97 3iam s LYS 80 N -3.62 4.53 0.13 3.23 1.02 -1.26 -5.01 119.74 118.76 3iam s LYS 80 Ca 0.02 1.14 -0.14 0.00 0.02 0.00 0.00 55.97 57.00 3iam s LYS 80 Cb -0.00 -3.37 0.02 0.00 -0.52 0.00 0.00 37.83 33.96 3iam s LYS 80 CO 0.80 0.27 0.36 -0.98 -0.92 0.00 0.00 175.35 174.89 3iam s ARG 81 N -0.05 1.08 0.14 1.68 3.03 -1.26 -4.93 118.95 118.64 3iam s ARG 81 Ca 0.40 -0.83 0.03 0.00 2.03 0.00 0.00 55.73 57.36 3iam s ARG 81 Cb -0.21 0.44 -0.04 0.00 -1.03 0.00 0.00 34.95 34.12 3iam s ARG 81 CO 0.24 -0.41 0.24 -1.50 -1.13 0.00 0.00 175.30 172.74 3iam s ILE 82 N -3.84 5.13 -0.06 4.99 2.07 -0.67 -2.51 121.20 126.31 3iam s ILE 82 Ca 0.06 -0.74 -0.00 0.00 -1.41 0.00 0.00 60.65 58.55 3iam s ILE 82 Cb 0.02 -3.62 0.02 0.00 0.13 0.00 0.00 42.46 39.02 3iam s ILE 82 CO -0.09 -0.06 -0.02 -0.83 -1.91 0.00 0.00 174.94 172.02 3iam s GLY 83 N -3.11 0.47 -0.21 1.50 0.00 0.16 -2.52 107.32 103.61 3iam s GLY 83 Ca 0.34 -0.10 -0.04 0.00 0.00 0.00 0.00 44.72 44.91 3iam s GLY 83 CO 0.27 0.76 -0.03 1.08 0.00 0.00 0.00 173.10 175.18 3iam s LEU 84 N 1.41 3.01 -0.07 0.66 1.43 -1.08 -1.79 118.68 122.25 3iam s LEU 84 Ca -0.03 -0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 52.74 3iam s LEU 84 Cb -0.13 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.35 3iam s LEU 84 CO -0.03 0.01 -0.04 -0.60 0.23 0.00 0.00 176.35 175.93 3iam s ARG 85 N 1.29 0.94 -0.50 1.70 3.00 -0.87 -0.58 118.95 123.93 3iam s ARG 85 Ca 0.04 -0.08 -0.20 0.00 -1.00 0.00 0.00 55.73 54.49 3iam s ARG 85 Cb -0.14 -1.06 0.05 0.00 0.00 0.00 0.00 34.95 33.79 3iam s ARG 85 CO -0.01 -0.19 0.67 -0.51 0.00 0.00 0.00 175.30 175.26 3iam s LEU 86 N 1.43 4.80 0.00 -0.88 1.43 -0.56 -0.73 118.68 124.18 3iam s LEU 86 Ca -0.03 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.30 3iam s LEU 86 Cb -0.13 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.56 3iam s LEU 86 CO -0.03 -0.92 0.00 -2.65 0.23 0.00 0.00 176.35 172.98 3iam n PRO 87 N 6.34 0.00 0.00 1.29 -0.02 -1.26 -2.90 135.00 138.45 3iam n PRO 87 Ca -0.05 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.46 3iam n PRO 87 Cb 0.46 -0.29 0.15 0.00 -0.02 0.00 0.00 33.50 33.80 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 -3.29 116.66 112.43 3iam n ARG 88 Ca 0.00 0.37 0.06 0.00 -0.77 0.00 0.00 57.85 57.50 3iam n ARG 88 Cb 0.00 -1.50 0.39 0.00 -1.02 0.00 0.00 32.46 30.33 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 -1.49 3.95 -3.96 7.54 0.00 -1.14 -4.97 120.51 120.44 3iam n ALA 89 Ca 0.02 -1.99 -0.41 0.00 0.00 0.00 0.00 53.44 51.06 3iam n ALA 89 Cb 0.08 -1.13 0.02 0.00 0.00 0.00 0.00 19.45 18.42 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 0.51 -1.57 -3.77 0.00 1.44 -1.21 -4.98 115.22 105.64 3iam n HIS 90 Ca 0.29 0.23 -0.28 0.00 -2.01 0.00 0.00 57.72 55.95 3iam n HIS 90 Cb 1.22 -2.92 -0.16 0.00 0.12 0.00 0.00 29.99 28.25 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 -3.45 0.68 0.10 0.61 1.01 -1.25 -5.05 121.20 113.86 3iam s ILE 91 Ca 0.44 -0.67 0.07 0.00 0.00 0.00 0.00 60.65 60.49 3iam s ILE 91 Cb -0.22 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 3iam s ILE 91 CO 0.94 -0.20 -0.08 -1.00 0.00 0.00 0.00 174.94 174.61 3iam s HIS 92 N 1.79 2.80 0.01 3.97 3.76 -1.26 -1.49 115.29 124.85 3iam s HIS 92 Ca -0.02 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.77 3iam s HIS 92 Cb -0.17 -1.45 -0.01 0.00 1.11 0.00 0.00 32.58 32.06 3iam s HIS 92 CO -0.08 0.44 -0.02 -0.51 -0.85 0.00 0.00 174.74 173.72 3iam s LEU 93 N -2.26 2.10 -0.30 0.89 1.02 0.26 -4.99 118.68 115.40 3iam s LEU 93 Ca 0.23 -0.22 -0.01 0.00 0.02 0.00 0.00 54.13 54.15 3iam s LEU 93 Cb -0.11 -0.01 0.10 0.00 0.02 0.00 0.00 46.19 46.19 3iam s LEU 93 CO 0.15 -0.11 0.09 -1.00 0.02 0.00 0.00 176.35 175.50 3iam s HIS 94 N -0.60 1.61 -0.21 0.29 3.76 -1.26 -2.63 115.29 116.24 3iam s HIS 94 Ca -0.06 -1.63 -0.13 0.00 -0.15 0.00 0.00 55.06 53.08 3iam s HIS 94 Cb -0.04 -1.63 -0.04 0.00 1.11 0.00 0.00 32.58 31.98 3iam s HIS 94 CO -0.00 -0.86 0.28 0.00 -0.85 0.00 0.00 174.74 173.31 3iam s ALA 95 N 1.65 3.59 0.00 -1.40 0.00 -1.05 -4.20 121.76 120.35 3iam s ALA 95 Ca 0.09 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3iam s ALA 95 Cb -0.17 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.48 3iam s ALA 95 CO -0.24 -0.22 0.00 0.72 0.00 0.00 0.00 175.76 176.02 3iam n HIS 96 N 4.31 -0.62 -3.72 0.00 8.25 -0.49 -1.67 115.22 121.28 3iam n HIS 96 Ca -0.12 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.09 3iam n HIS 96 Cb 0.52 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 0.75 0.68 0.07 4.41 5.04 -1.26 -2.73 117.35 124.31 3iam s TYR 97 Ca 0.00 -0.44 -0.13 0.00 -2.44 0.00 0.00 57.07 54.06 3iam s TYR 97 Cb 0.00 -0.85 -0.06 0.00 0.35 0.00 0.00 41.96 41.40 3iam s TYR 97 CO 0.00 -0.46 0.45 -1.21 -1.34 0.00 0.00 175.55 172.99 3iam s GLU 98 N 1.97 3.89 -0.04 4.97 0.41 -0.75 -4.99 118.70 124.16 3iam s GLU 98 Ca 0.02 0.37 -0.30 0.00 -0.41 0.00 0.00 54.97 54.65 3iam s GLU 98 Cb -0.15 -3.07 -0.05 0.00 -1.78 0.00 0.00 34.13 29.08 3iam s GLU 98 CO -0.07 0.59 1.52 -1.25 -0.49 0.00 0.00 175.26 175.56 3iam s PRO 99 N -1.60 4.22 0.00 0.39 0.04 -1.26 -2.80 135.00 134.00 3iam s PRO 99 Ca 0.31 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.40 3iam s PRO 99 Cb -0.15 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.60 3iam s PRO 99 CO 0.17 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.89 3iam n GLY 100 N 3.89 1.74 0.33 0.56 0.00 -1.26 -4.83 105.19 105.62 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 0.00 -1.48 1.61 4.76 -1.17 -5.16 118.16 114.73 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 -0.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.86 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 2.16 0.42 3.57 0.72 0.00 -1.12 -5.01 105.19 105.93 3iam n GLY 102 Ca 0.00 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 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 3.33 0.12 0.99 2.96 -1.26 -1.81 118.68 123.01 3iam s LEU 103 Ca 0.00 0.09 0.08 0.00 -0.22 0.00 0.00 54.13 54.07 3iam s LEU 103 Cb 0.00 -2.88 -0.04 0.00 0.50 0.00 0.00 46.19 43.77 3iam s LEU 103 CO 0.00 -1.80 -0.10 0.68 -1.32 0.00 0.00 176.35 173.81 3iam s VAL 104 N 6.21 3.31 -0.97 1.68 -7.23 -1.10 -0.35 120.40 121.95 3iam s VAL 104 Ca 0.49 -1.37 -0.08 0.00 -1.81 0.00 0.00 61.98 59.21 3iam s VAL 104 Cb -0.10 -2.57 0.25 0.00 0.56 0.00 0.00 36.38 34.51 3iam s VAL 104 CO 0.22 0.06 0.92 0.42 -0.31 0.00 0.00 175.10 176.40 3iam s THR 105 N -1.33 5.38 0.00 5.32 -4.23 0.02 -1.39 115.64 119.41 3iam s THR 105 Ca 0.22 -3.32 0.00 0.00 -1.18 0.00 0.00 61.69 57.41 3iam s THR 105 Cb -0.11 -4.28 0.00 0.00 1.34 0.00 0.00 72.50 69.45 3iam s THR 105 CO 0.14 -1.11 0.00 0.61 -0.54 0.00 0.00 174.62 173.72 3iam n GLY 106 N 2.91 1.25 0.00 3.99 0.00 -1.26 -3.21 105.19 108.86 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 2.31 -3.39 1.61 5.02 -1.26 -5.11 118.16 117.34 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 -0.21 -0.06 0.00 -0.02 0.00 0.00 35.03 34.74 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 -0.09 5.19 0.03 -0.18 1.09 -1.20 -5.04 121.20 121.01 3iam s ILE 108 Ca 0.00 0.84 -0.30 0.00 -1.10 0.00 0.00 60.65 60.09 3iam s ILE 108 Cb 0.00 -3.76 -0.08 0.00 -1.06 0.00 0.00 42.46 37.56 3iam s ILE 108 CO 0.00 0.38 1.85 -2.84 -0.10 0.00 0.00 174.94 174.23 3iam s PRO 109 N 0.34 4.15 -1.19 2.79 0.02 -1.26 -0.80 135.00 139.05 3iam s PRO 109 Ca 0.23 2.49 -0.17 0.00 0.02 0.00 0.00 61.00 63.58 3iam s PRO 109 Cb -0.15 -4.01 0.12 0.00 0.02 0.00 0.00 34.50 30.49 3iam s PRO 109 CO 0.09 -0.90 1.51 -1.17 -0.33 0.00 0.00 177.00 176.20 3iam s LEU 110 N 4.00 4.50 0.90 -5.54 2.96 0.53 -4.91 118.68 121.12 3iam s LEU 110 Ca 0.83 -2.58 -0.11 0.00 -0.22 0.00 0.00 54.13 52.05 3iam s LEU 110 Cb -0.41 -2.48 0.19 0.00 0.50 0.00 0.00 46.19 44.00 3iam s LEU 110 CO 0.37 -0.99 1.23 0.42 -1.32 0.00 0.00 176.35 176.06 3iam s THR 111 N 2.90 2.02 0.29 3.68 -4.23 -1.26 -4.84 115.64 114.20 3iam s THR 111 Ca 0.46 -0.23 0.09 0.00 -1.18 0.00 0.00 61.69 60.83 3iam s THR 111 Cb -0.00 -2.79 0.01 0.00 1.34 0.00 0.00 72.50 71.05 3iam s THR 111 CO 0.01 0.00 1.67 0.50 -0.54 0.00 0.00 174.62 176.26 3iam h LYS 112 N -1.31 0.08 0.67 3.99 3.64 -1.99 -2.28 116.57 119.37 3iam h LYS 112 Ca -0.41 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 3iam h LYS 112 Cb 1.23 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.07 3iam h LYS 112 CO 0.35 0.59 -0.32 0.93 -2.27 0.00 0.00 179.45 178.73 3iam h GLU 113 N 0.07 -0.87 -0.49 1.90 4.39 -1.98 -2.55 114.58 115.04 3iam h GLU 113 Ca -0.00 0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.78 3iam h GLU 113 Cb 0.95 0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 29.77 3iam h GLU 113 CO 0.07 -0.54 0.33 -0.09 -1.16 0.00 0.00 179.01 177.62 3iam h ARG 114 N -1.12 0.58 0.58 2.33 2.43 -1.90 -2.75 114.38 114.53 3iam h ARG 114 Ca -0.09 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 3iam h ARG 114 Cb 0.72 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.15 3iam h ARG 114 CO 0.15 0.38 -0.28 0.35 -1.51 0.00 0.00 179.97 179.06 3iam h PHE 115 N 0.60 -0.73 -1.08 2.20 3.57 -1.43 -2.92 116.94 117.15 3iam h PHE 115 Ca 0.19 -0.02 0.29 0.00 3.53 0.00 0.00 57.97 61.96 3iam h PHE 115 Cb 0.04 0.24 -0.09 0.00 2.79 0.00 0.00 35.95 38.93 3iam h PHE 115 CO -0.00 -0.39 0.70 0.74 -2.23 0.00 0.00 178.31 177.13 3iam h PHE 116 N -1.02 0.56 0.19 0.41 -1.00 -1.23 -0.53 116.94 114.32 3iam h PHE 116 Ca -0.08 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.71 3iam h PHE 116 Cb 0.66 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 40.06 3iam h PHE 116 CO 0.00 0.03 -0.09 0.00 -1.61 0.00 0.00 178.31 176.64 3iam h ALA 117 N 1.59 -0.26 -0.51 2.45 0.00 -1.41 -0.13 119.26 121.00 3iam h ALA 117 Ca 0.61 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.51 3iam h ALA 117 Cb 1.68 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.51 3iam h ALA 117 CO -0.27 -0.62 0.20 1.25 0.00 0.00 0.00 179.25 179.80 3iam h LEU 118 N -0.30 0.22 -0.40 0.00 5.85 -0.95 0.11 115.31 119.84 3iam h LEU 118 Ca -0.03 0.06 -0.18 0.00 0.84 0.00 0.00 57.88 58.57 3iam h LEU 118 Cb 0.23 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 3iam h LEU 118 CO 0.04 0.15 -0.65 0.00 -0.34 0.00 0.00 178.44 177.65 3iam h ALA 119 N 1.33 0.58 0.05 1.25 0.00 -1.20 0.09 119.26 121.36 3iam h ALA 119 Ca 0.24 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3iam h ALA 119 Cb 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3iam h ALA 119 CO -0.24 0.71 -0.03 -0.44 0.00 0.00 0.00 179.25 179.26 3iam h ASP 120 N 0.42 -0.06 -0.75 0.00 3.32 -0.85 0.94 116.42 119.44 3iam h ASP 120 Ca -0.01 -0.33 0.14 0.00 0.02 0.00 0.00 57.03 56.85 3iam h ASP 120 Cb 1.22 0.02 -0.09 0.00 0.22 0.00 0.00 39.33 40.70 3iam h ASP 120 CO 0.12 0.30 0.31 0.03 -1.72 0.00 0.00 179.24 178.28 3iam h ARG 121 N -0.43 0.45 -0.21 3.56 2.47 -0.71 -1.05 114.38 118.45 3iam h ARG 121 Ca -0.01 -0.03 -0.13 0.00 -1.26 0.00 0.00 59.98 58.55 3iam h ARG 121 Cb 0.39 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.59 3iam h ARG 121 CO 0.01 0.30 -0.42 0.00 0.56 0.00 0.00 179.97 180.42 3iam h ALA 122 N 1.54 0.87 -0.07 0.04 0.00 -0.86 -2.96 119.26 117.83 3iam h ALA 122 Ca 0.41 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3iam h ALA 122 Cb 0.61 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3iam h ALA 122 CO -0.39 0.64 -0.00 -0.09 0.00 0.00 0.00 179.25 179.41 3iam h ARG 123 N 0.42 0.13 -0.11 0.00 2.43 0.39 -0.15 114.38 117.48 3iam h ARG 123 Ca 0.03 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3iam h ARG 123 Cb 0.91 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 3iam h ARG 123 CO 0.08 0.41 0.06 0.93 -1.51 0.00 0.00 179.97 179.94 3iam h GLU 124 N -0.17 0.12 0.05 0.20 5.08 -1.30 -2.99 114.58 115.57 3iam h GLU 124 Ca 0.02 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3iam h GLU 124 Cb 0.36 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3iam h GLU 124 CO 0.00 0.08 -0.02 0.00 -1.00 0.00 0.00 179.01 178.07 3iam h ALA 125 N 1.05 -0.44 0.00 3.43 0.00 -1.56 -3.39 119.26 118.34 3iam h ALA 125 Ca 0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3iam h ALA 125 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3iam h ALA 125 CO -0.02 -0.43 -0.48 -0.07 0.00 0.00 0.00 179.25 178.24 3iam h LEU 126 N -0.14 0.00 -9.24 0.00 3.38 -1.14 -3.45 115.31 104.72 3iam h LEU 126 Ca -0.01 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.40 3iam h LEU 126 Cb 0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.82 3iam h LEU 126 CO 0.01 0.48 1.28 0.00 0.09 0.00 0.00 178.44 180.30 3iam n ALA 127 N -2.44 1.53 -0.04 1.53 0.00 -1.13 -4.90 120.51 115.05 3iam n ALA 127 Ca -0.02 0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.38 3iam n ALA 127 Cb 0.50 -2.71 -0.07 0.00 0.00 0.00 0.00 19.45 17.16 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 11.48 0.79 0.00 0.00 -1.00 -1.90 -3.49 116.94 122.81 3iam h PHE 128 Ca -0.47 -0.32 0.00 0.00 2.81 0.00 0.00 57.97 59.99 3iam h PHE 128 Cb 1.25 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 40.67 3iam h PHE 128 CO 0.94 1.09 0.00 0.00 -1.61 0.00 0.00 178.31 178.74