#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iam n ARG 2 N 0.00 0.05 0.01 0.03 1.74 -1.26 -2.67 116.66 114.57 3iam n ARG 2 Ca 0.00 0.23 -0.05 0.00 -0.77 0.00 0.00 57.85 57.26 3iam n ARG 2 Cb 0.00 -1.58 -0.11 0.00 -1.02 0.00 0.00 32.46 29.75 3iam n ARG 2 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3iam h LEU 3 N 0.00 0.00 -0.10 0.55 5.85 -1.96 -3.29 115.31 116.36 3iam h LEU 3 Ca 0.00 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.75 3iam h LEU 3 Cb 0.34 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 3iam h LEU 3 CO 0.00 0.83 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.54 3iam h GLU 4 N 0.00 -0.07 0.00 1.25 4.39 -1.95 -0.77 114.58 117.44 3iam h GLU 4 Ca -0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.51 3iam h GLU 4 Cb 1.81 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.48 3iam h GLU 4 CO 0.07 -0.04 0.00 0.00 -1.16 0.00 0.00 179.01 177.88 3iam h ARG 5 N -0.07 0.00 0.05 2.33 3.08 -1.67 0.12 114.38 118.22 3iam h ARG 5 Ca 0.06 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 3iam h ARG 5 Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 3iam h ARG 5 CO -0.14 0.00 -0.53 0.28 -1.07 0.00 0.00 179.97 178.51 3iam h VAL 6 N 0.00 1.52 -0.22 2.04 2.07 -1.26 -3.29 116.25 117.11 3iam h VAL 6 Ca 0.00 -2.37 -0.18 0.00 0.82 0.00 0.00 66.70 64.97 3iam h VAL 6 Cb 0.02 3.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 3iam h VAL 6 CO 0.00 0.60 -0.55 -0.07 0.02 0.00 0.00 177.57 177.57 3iam h LEU 7 N -0.78 0.87 -2.82 2.57 3.38 -0.41 -1.20 115.31 116.93 3iam h LEU 7 Ca -0.12 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 57.29 3iam h LEU 7 Cb 1.28 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 3iam h LEU 7 CO 0.01 1.28 -0.00 -0.33 0.09 0.00 0.00 178.44 179.49 3iam h GLU 8 N 0.51 0.00 0.00 1.13 5.08 -0.97 -1.16 114.58 119.17 3iam h GLU 8 Ca -0.01 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 3iam h GLU 8 Cb 1.17 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 3iam h GLU 8 CO 0.12 0.00 -1.13 1.49 -1.00 0.00 0.00 179.01 178.49 3iam h GLU 9 N 0.00 0.00 -0.60 2.33 4.81 -1.54 -3.31 114.58 116.27 3iam h GLU 9 Ca -0.00 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 3iam h GLU 9 Cb 0.01 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 3iam h GLU 9 CO 0.00 1.00 0.37 0.00 -0.73 0.00 0.00 179.01 179.65 3iam h ALA 10 N -0.44 0.77 -0.38 2.92 0.00 -1.01 -2.30 119.26 118.81 3iam h ALA 10 Ca -0.31 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.66 3iam h ALA 10 Cb 1.27 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.79 3iam h ALA 10 CO -0.19 0.11 -0.23 0.00 0.00 0.00 0.00 179.25 178.93 3iam h ARG 11 N 0.72 -0.16 -0.78 0.00 3.08 -1.41 -1.55 114.38 114.28 3iam h ARG 11 Ca 0.24 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.44 3iam h ARG 11 Cb 0.01 0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.01 3iam h ARG 11 CO -0.10 -0.11 0.35 0.00 -1.07 0.00 0.00 179.97 179.04 3iam h ALA 12 N 1.02 1.13 -2.15 0.04 0.00 -1.52 -3.29 119.26 114.50 3iam h ALA 12 Ca 0.19 0.10 -0.63 0.00 0.00 0.00 0.00 54.91 54.57 3iam h ALA 12 Cb 0.46 0.04 -0.40 0.00 0.00 0.00 0.00 17.79 17.90 3iam h ALA 12 CO -0.48 -0.16 -0.39 0.36 0.00 0.00 0.00 179.25 178.57 3iam n LYS 13 N -4.95 3.14 -1.77 0.00 2.85 -0.65 -4.95 118.16 111.82 3iam n LYS 13 Ca 0.15 -4.74 -0.14 0.00 -1.05 0.00 0.00 58.31 52.53 3iam n LYS 13 Cb 0.41 -2.29 -0.04 0.00 -0.65 0.00 0.00 35.03 32.46 3iam n LYS 13 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3iam n GLY 14 N 0.43 0.67 3.66 2.58 0.00 -1.18 -4.91 105.19 106.44 3iam n GLY 14 Ca 0.31 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.95 3iam n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iam s TYR 15 N -2.37 3.34 -0.11 1.61 2.02 -0.78 -5.02 117.35 116.04 3iam s TYR 15 Ca 0.00 0.46 -0.30 0.00 -0.37 0.00 0.00 57.07 56.86 3iam s TYR 15 Cb 0.00 -2.44 -0.02 0.00 -0.40 0.00 0.00 41.96 39.09 3iam s TYR 15 CO 0.00 -0.01 1.25 -2.14 -1.57 0.00 0.00 175.55 173.08 3iam s PRO 16 N 1.31 4.28 -0.36 -1.71 0.02 -1.26 -4.37 135.00 132.91 3iam s PRO 16 Ca 0.15 1.69 -0.18 0.00 0.02 0.00 0.00 61.00 62.68 3iam s PRO 16 Cb -0.14 -3.68 0.00 0.00 0.02 0.00 0.00 34.50 30.70 3iam s PRO 16 CO 0.07 -0.60 0.51 0.42 -0.33 0.00 0.00 177.00 177.07 3iam s ILE 17 N 2.95 5.01 -0.16 2.83 -1.09 -1.26 -2.51 121.20 126.97 3iam s ILE 17 Ca 0.56 0.24 -0.11 0.00 -2.23 0.00 0.00 60.65 59.11 3iam s ILE 17 Cb -0.24 -3.98 -0.05 0.00 -1.58 0.00 0.00 42.46 36.61 3iam s ILE 17 CO 0.18 -0.26 0.21 -1.61 -1.23 0.00 0.00 174.94 172.23 3iam s GLU 18 N 2.39 4.08 -0.19 2.79 2.02 -1.13 -4.95 118.70 123.71 3iam s GLU 18 Ca 0.18 -0.05 -0.04 0.00 0.02 0.00 0.00 54.97 55.08 3iam s GLU 18 Cb -0.16 -3.37 0.09 0.00 0.10 0.00 0.00 34.13 30.79 3iam s GLU 18 CO 0.14 0.37 0.21 0.34 0.02 0.00 0.00 175.26 176.34 3iam s ASP 19 N 0.10 1.31 0.29 -0.19 2.15 -1.26 -0.33 116.67 118.75 3iam s ASP 19 Ca 0.13 -0.15 -0.10 0.00 0.43 0.00 0.00 52.55 52.86 3iam s ASP 19 Cb -0.12 0.36 -0.07 0.00 -0.30 0.00 0.00 42.92 42.79 3iam s ASP 19 CO 0.02 -0.32 0.63 0.54 -0.17 0.00 0.00 175.17 175.87 3iam s ASN 20 N 2.32 6.59 0.00 -0.34 2.20 -1.24 -4.97 114.94 119.50 3iam s ASN 20 Ca 0.06 0.99 0.10 0.00 -0.94 0.00 0.00 52.86 53.07 3iam s ASN 20 Cb -0.15 -2.25 0.48 0.00 -2.00 0.00 0.00 41.25 37.33 3iam s ASN 20 CO -0.11 -0.19 1.24 0.61 -2.94 0.00 0.00 177.10 175.71 3iam n GLY 21 N -0.58 -0.68 0.14 0.45 0.00 -1.26 -3.70 105.19 99.56 3iam n GLY 21 Ca 0.01 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.08 3iam n GLY 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3iam h LEU 22 N 0.00 0.00 0.00 0.99 3.38 -2.04 -3.47 115.31 114.17 3iam h LEU 22 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iam h LEU 22 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3iam h LEU 22 CO 0.00 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.25 3iam n GLY 23 N 1.19 -0.48 3.67 0.83 0.00 -1.24 -5.14 105.19 104.02 3iam n GLY 23 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3iam n GLY 23 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3iam s ASN 24 N -0.15 4.79 -0.14 1.61 -0.87 -1.26 -5.10 114.94 113.81 3iam s ASN 24 Ca 0.00 -0.42 -0.11 0.00 -1.57 0.00 0.00 52.86 50.75 3iam s ASN 24 Cb 0.00 -1.01 0.04 0.00 -0.02 0.00 0.00 41.25 40.26 3iam s ASN 24 CO 0.00 0.07 0.36 -1.48 -2.57 0.00 0.00 177.10 173.48 3iam s LEU 25 N -3.11 0.42 0.55 0.60 2.34 -1.26 -3.70 118.68 114.52 3iam s LEU 25 Ca 0.28 0.75 0.07 0.00 0.06 0.00 0.00 54.13 55.30 3iam s LEU 25 Cb -0.09 1.23 0.07 0.00 -0.56 0.00 0.00 46.19 46.84 3iam s LEU 25 CO 0.19 -0.15 0.76 0.26 -1.06 0.00 0.00 176.35 176.35 3iam s TRP 26 N 0.58 1.88 -0.24 3.48 0.51 0.55 -2.65 118.94 123.05 3iam s TRP 26 Ca -0.03 -0.54 -0.06 0.00 -2.12 0.00 0.00 56.10 53.35 3iam s TRP 26 Cb -0.05 -2.39 0.12 0.00 -0.81 0.00 0.00 33.47 30.35 3iam s TRP 26 CO -0.03 -1.02 0.48 0.54 -0.51 0.00 0.00 176.95 176.41 3iam s VAL 27 N -2.65 -0.75 -0.42 4.03 0.11 -1.01 -2.85 120.40 116.85 3iam s VAL 27 Ca 0.60 0.06 -0.18 0.00 -2.93 0.00 0.00 61.98 59.53 3iam s VAL 27 Cb -0.07 -0.81 0.02 0.00 -1.53 0.00 0.00 36.38 33.99 3iam s VAL 27 CO 0.38 0.00 0.47 0.54 -3.33 0.00 0.00 175.10 173.17 3iam s VAL 28 N 2.69 5.04 0.27 2.04 0.11 -1.05 -2.27 120.40 127.23 3iam s VAL 28 Ca 0.04 -0.27 -0.16 0.00 -2.93 0.00 0.00 61.98 58.67 3iam s VAL 28 Cb -0.13 -4.07 -0.08 0.00 -1.53 0.00 0.00 36.38 30.56 3iam s VAL 28 CO -0.16 -0.46 0.69 -0.76 -3.33 0.00 0.00 175.10 171.09 3iam s LEU 29 N 2.26 4.18 1.19 2.54 1.43 -1.02 -4.10 118.68 125.16 3iam s LEU 29 Ca 0.14 1.25 -0.18 0.00 -1.03 0.00 0.00 54.13 54.31 3iam s LEU 29 Cb -0.17 -3.82 0.28 0.00 0.03 0.00 0.00 46.19 42.52 3iam s LEU 29 CO 0.15 -0.09 1.08 -2.16 0.23 0.00 0.00 176.35 175.55 3iam s PRO 30 N -2.58 -1.15 0.00 1.29 0.04 -1.26 -4.56 135.00 126.77 3iam s PRO 30 Ca 0.49 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.64 3iam s PRO 30 Cb -0.13 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.83 3iam s PRO 30 CO 0.19 -3.70 0.99 -2.13 0.04 0.00 0.00 177.00 172.40 3iam n ARG 31 N -4.78 0.00 0.04 4.56 3.00 -1.26 -3.00 116.66 115.22 3iam n ARG 31 Ca 0.11 0.70 -0.12 0.00 -0.00 0.00 0.00 57.85 58.54 3iam n ARG 31 Cb 0.59 -1.49 -0.07 0.00 0.00 0.00 0.00 32.46 31.48 3iam n ARG 31 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 3iam h GLU 32 N 0.00 -0.03 0.00 -0.14 9.09 -2.00 -2.77 114.58 118.73 3iam h GLU 32 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3iam h GLU 32 Cb 0.00 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.11 3iam h GLU 32 CO 0.00 0.05 0.00 0.54 0.05 0.00 0.00 179.01 179.65 3iam n ARG 33 N -5.07 0.07 0.36 1.06 1.74 -1.25 -3.21 116.66 110.36 3iam n ARG 33 Ca -0.07 0.28 -0.17 0.00 -0.77 0.00 0.00 57.85 57.11 3iam n ARG 33 Cb 0.07 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 29.93 3iam n ARG 33 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3iam h PHE 34 N 0.00 -0.84 -0.25 -1.55 3.57 -1.39 -2.11 116.94 114.37 3iam h PHE 34 Ca 0.00 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.51 3iam h PHE 34 Cb 0.10 0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 3iam h PHE 34 CO 0.00 -0.49 -0.37 -0.22 -2.23 0.00 0.00 178.31 174.99 3iam h LYS 35 N -1.04 -0.28 0.53 1.11 1.63 -1.73 0.11 116.57 116.91 3iam h LYS 35 Ca -0.09 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.70 3iam h LYS 35 Cb 0.73 0.06 0.01 0.00 -0.60 0.00 0.00 32.23 32.43 3iam h LYS 35 CO 0.15 -0.18 -0.26 1.05 -3.45 0.00 0.00 179.45 176.76 3iam h GLU 36 N -0.29 -0.69 0.00 1.90 4.11 -1.76 -2.89 114.58 114.96 3iam h GLU 36 Ca 0.04 0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.52 3iam h GLU 36 Cb 0.41 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 3iam h GLU 36 CO -0.38 -0.38 -0.03 0.93 0.07 0.00 0.00 179.01 179.22 3iam h GLU 37 N -0.98 0.00 -0.39 1.06 4.39 -1.39 0.71 114.58 117.98 3iam h GLU 37 Ca -0.07 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 3iam h GLU 37 Cb 0.62 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 3iam h GLU 37 CO 0.12 0.03 -0.05 1.98 -1.16 0.00 0.00 179.01 179.93 3iam h MET 38 N 0.00 0.64 -0.39 2.33 4.05 -0.68 -2.37 114.93 118.52 3iam h MET 38 Ca -0.00 -0.17 -0.09 0.00 -0.28 0.00 0.00 59.70 59.16 3iam h MET 38 Cb 0.07 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 3iam h MET 38 CO 0.00 0.70 -0.10 0.00 0.23 0.00 0.00 176.91 177.74 3iam h ALA 39 N 1.35 0.53 -1.20 0.39 0.00 -0.69 -2.64 119.26 117.01 3iam h ALA 39 Ca 0.12 -0.32 0.36 0.00 0.00 0.00 0.00 54.91 55.07 3iam h ALA 39 Cb 0.45 -0.14 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 3iam h ALA 39 CO 0.02 0.40 0.78 1.25 0.00 0.00 0.00 179.25 181.70 3iam h HIS 40 N 0.56 0.54 -0.29 0.00 6.17 -0.79 0.10 115.15 121.43 3iam h HIS 40 Ca 0.10 0.02 -0.17 0.00 0.71 0.00 0.00 60.37 61.03 3iam h HIS 40 Cb 0.62 -0.15 -0.00 0.00 2.52 0.00 0.00 27.41 30.40 3iam h HIS 40 CO 0.05 -0.07 -0.47 1.88 0.71 0.00 0.00 177.93 180.03 3iam h TYR 41 N 0.21 1.03 -0.15 5.26 -1.99 -1.08 -2.24 116.97 118.02 3iam h TYR 41 Ca 0.71 -0.35 -0.00 0.00 2.00 0.00 0.00 58.73 61.08 3iam h TYR 41 Cb 2.11 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 40.63 3iam h TYR 41 CO -0.00 1.17 0.09 -0.22 -0.00 0.00 0.00 178.16 179.19 3iam h LYS 42 N 0.61 0.20 -0.68 4.88 3.64 -0.97 -2.34 116.57 121.91 3iam h LYS 42 Ca 0.02 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3iam h LYS 42 Cb 1.07 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 3iam h LYS 42 CO 0.11 0.18 0.45 0.00 -2.27 0.00 0.00 179.45 177.92 3iam h ALA 43 N 1.01 1.54 -0.02 5.00 0.00 -1.48 -1.33 119.26 123.97 3iam h ALA 43 Ca 0.05 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3iam h ALA 43 Cb 0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3iam h ALA 43 CO -0.01 0.42 0.07 1.98 0.00 0.00 0.00 179.25 181.70 3iam h MET 44 N 0.89 0.00 0.00 0.00 1.85 -0.87 -3.43 114.93 113.37 3iam h MET 44 Ca 0.25 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.34 3iam h MET 44 Cb -0.07 0.00 0.00 0.00 0.43 0.00 0.00 31.60 31.96 3iam h MET 44 CO -0.06 0.00 0.00 0.41 -0.40 0.00 0.00 176.91 176.86 3iam n GLY 45 N -1.19 0.29 3.45 1.39 0.00 -0.54 -5.05 105.19 103.53 3iam n GLY 45 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 3iam n GLY 45 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iam s PHE 46 N -1.01 3.02 0.02 1.61 0.40 -0.97 -4.68 117.98 116.36 3iam s PHE 46 Ca 0.00 -1.22 -0.14 0.00 -0.60 0.00 0.00 56.93 54.97 3iam s PHE 46 Cb 0.00 -4.30 -0.35 0.00 0.51 0.00 0.00 43.02 38.89 3iam s PHE 46 CO 0.00 -1.53 0.95 -2.95 0.70 0.00 0.00 175.22 172.39 3iam h ASN 47 N 9.01 0.79 -2.90 1.36 -0.00 -1.75 -3.39 115.58 118.69 3iam h ASN 47 Ca 0.08 -0.89 -0.64 0.00 -0.00 0.00 0.00 56.30 54.85 3iam h ASN 47 Cb 1.03 -0.26 -0.08 0.00 -0.00 0.00 0.00 38.32 39.01 3iam h ASN 47 CO 1.13 1.71 -0.43 0.12 -0.00 0.00 0.00 177.43 179.96 3iam s PHE 48 N -2.60 3.56 -0.68 4.14 5.36 -1.13 -4.99 117.98 121.63 3iam s PHE 48 Ca -0.10 0.55 0.02 0.00 -0.96 0.00 0.00 56.93 56.44 3iam s PHE 48 Cb 0.04 -2.07 0.17 0.00 -0.34 0.00 0.00 43.02 40.82 3iam s PHE 48 CO 0.93 0.57 0.48 -1.17 -1.46 0.00 0.00 175.22 174.57 3iam s LEU 49 N -0.56 4.89 0.10 6.12 2.96 -1.26 -2.03 118.68 128.90 3iam s LEU 49 Ca 0.15 -3.48 -0.26 0.00 -0.22 0.00 0.00 54.13 50.31 3iam s LEU 49 Cb -0.12 -1.72 -0.11 0.00 0.50 0.00 0.00 46.19 44.74 3iam s LEU 49 CO 0.04 -0.18 1.67 0.00 -1.32 0.00 0.00 176.35 176.56 3iam h ALA 50 N 6.01 -0.35 -4.07 5.97 0.00 -1.87 -3.45 119.26 121.50 3iam h ALA 50 Ca 0.07 -0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.64 3iam h ALA 50 Cb 0.83 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 3iam h ALA 50 CO 0.74 -0.73 -0.20 -3.47 0.00 0.00 0.00 179.25 175.59 3iam n ASP 51 N -5.31 -1.07 -3.15 0.00 -0.08 -1.26 -5.02 116.55 100.66 3iam n ASP 51 Ca -0.07 -2.75 0.04 0.00 -1.51 0.00 0.00 54.79 50.50 3iam n ASP 51 Cb 0.23 2.07 -0.01 0.00 2.34 0.00 0.00 41.12 45.74 3iam n ASP 51 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 3iam s ILE 52 N -2.88 -0.92 -0.11 5.18 2.07 -1.26 -2.01 121.20 121.27 3iam s ILE 52 Ca 0.28 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.53 3iam s ILE 52 Cb -0.00 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.57 3iam s ILE 52 CO 0.20 0.00 -0.16 0.54 -1.91 0.00 0.00 174.94 173.62 3iam s VAL 53 N 2.87 2.84 -0.10 4.00 0.11 0.90 -4.90 120.40 126.13 3iam s VAL 53 Ca 0.18 -0.75 -0.15 0.00 -2.93 0.00 0.00 61.98 58.34 3iam s VAL 53 Cb -0.14 -2.16 -0.05 0.00 -1.53 0.00 0.00 36.38 32.49 3iam s VAL 53 CO -0.20 0.54 0.38 -0.83 -3.33 0.00 0.00 175.10 171.66 3iam s GLY 54 N 0.19 2.34 -0.10 6.54 0.00 -1.26 -0.74 107.32 114.29 3iam s GLY 54 Ca -0.09 -0.31 0.01 0.00 0.00 0.00 0.00 44.72 44.33 3iam s GLY 54 CO 0.06 0.41 -0.12 1.08 0.00 0.00 0.00 173.10 174.53 3iam s LEU 55 N -0.01 1.53 -0.34 0.66 1.02 0.21 -5.02 118.68 116.72 3iam s LEU 55 Ca 0.21 -0.35 -0.10 0.00 0.02 0.00 0.00 54.13 53.91 3iam s LEU 55 Cb -0.15 -0.94 0.01 0.00 0.02 0.00 0.00 46.19 45.13 3iam s LEU 55 CO 0.09 -0.03 0.17 -0.62 0.02 0.00 0.00 176.35 175.98 3iam s ASP 56 N 1.16 5.61 -0.04 2.29 2.15 -1.26 -1.87 116.67 124.70 3iam s ASP 56 Ca -0.04 -0.77 0.15 0.00 0.43 0.00 0.00 52.55 52.32 3iam s ASP 56 Cb -0.14 -2.00 0.51 0.00 -0.30 0.00 0.00 42.92 40.99 3iam s ASP 56 CO -0.03 -0.29 1.40 -1.22 -0.17 0.00 0.00 175.17 174.87 3iam n TYR 57 N 4.98 0.93 -0.24 -5.34 4.01 -0.76 -4.61 117.16 116.12 3iam n TYR 57 Ca -0.13 -0.41 0.02 0.00 -0.16 0.00 0.00 57.90 57.22 3iam n TYR 57 Cb 0.47 -0.10 0.10 0.00 -0.31 0.00 0.00 39.34 39.50 3iam n TYR 57 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3iam h LEU 58 N 3.12 -0.58 -3.93 7.72 5.85 -1.94 -0.72 115.31 124.83 3iam h LEU 58 Ca 0.00 0.21 -0.46 0.00 0.84 0.00 0.00 57.88 58.47 3iam h LEU 58 Cb 0.94 0.41 -0.27 0.00 0.37 0.00 0.00 40.66 42.11 3iam h LEU 58 CO 0.09 -0.22 0.58 0.41 -0.34 0.00 0.00 178.44 178.96 3iam n THR 59 N -5.44 3.14 -3.23 1.05 -1.04 -1.26 -4.93 114.28 102.58 3iam n THR 59 Ca 0.10 -1.84 -0.39 0.00 -2.04 0.00 0.00 64.05 59.88 3iam n THR 59 Cb 0.38 -0.45 -0.06 0.00 -1.82 0.00 0.00 70.33 68.39 3iam n THR 59 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 3iam s TYR 60 N -3.21 3.58 0.22 -1.42 5.04 -0.28 -4.69 117.35 116.59 3iam s TYR 60 Ca 0.56 1.07 -0.09 0.00 -2.44 0.00 0.00 57.07 56.17 3iam s TYR 60 Cb 0.47 -2.62 0.32 0.00 0.35 0.00 0.00 41.96 40.48 3iam s TYR 60 CO 0.11 0.22 1.71 -1.00 -1.34 0.00 0.00 175.55 175.25 3iam h PRO 61 N 6.35 0.28 -6.07 4.97 0.13 -1.90 -3.41 132.00 132.36 3iam h PRO 61 Ca -0.43 -0.02 -0.60 0.00 -0.87 0.00 0.00 66.00 64.09 3iam h PRO 61 Cb 1.19 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 3iam h PRO 61 CO 0.73 0.19 -0.35 -0.51 -0.23 0.00 0.00 178.00 177.83 3iam s ASP 62 N -5.31 6.49 0.66 1.44 1.01 -1.26 -5.09 116.67 114.61 3iam s ASP 62 Ca -0.13 0.56 -0.16 0.00 0.71 0.00 0.00 52.55 53.54 3iam s ASP 62 Cb 0.18 -2.08 -0.00 0.00 1.01 0.00 0.00 42.92 42.03 3iam s ASP 62 CO 0.74 0.13 1.15 -2.16 0.21 0.00 0.00 175.17 175.24 3iam s PRO 63 N -2.34 2.72 0.03 8.23 0.04 -1.26 -5.09 135.00 137.33 3iam s PRO 63 Ca 0.36 1.55 -0.02 0.00 0.04 0.00 0.00 61.00 62.93 3iam s PRO 63 Cb -0.13 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 3iam s PRO 63 CO 0.22 -1.34 0.01 1.03 0.04 0.00 0.00 177.00 176.96 3iam s ARG 64 N -3.87 0.48 0.07 4.56 1.81 -1.26 -5.09 118.95 115.64 3iam s ARG 64 Ca 0.70 -0.82 -0.13 0.00 -1.72 0.00 0.00 55.73 53.77 3iam s ARG 64 Cb -0.24 0.17 -0.03 0.00 -0.45 0.00 0.00 34.95 34.41 3iam s ARG 64 CO 0.40 -0.10 0.74 -2.30 -0.68 0.00 0.00 175.30 173.36 3iam n PRO 65 N 0.94 -0.18 -4.18 3.54 -0.02 -1.26 -4.64 135.00 129.20 3iam n PRO 65 Ca -0.20 0.73 -0.11 0.00 -2.02 0.00 0.00 63.50 61.90 3iam n PRO 65 Cb 0.58 -1.07 -0.10 0.00 -0.02 0.00 0.00 33.50 32.88 3iam n PRO 65 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3iam s GLU 66 N -4.83 1.05 0.24 -0.52 2.56 -1.26 -5.06 118.70 110.87 3iam s GLU 66 Ca -0.05 -1.52 -0.06 0.00 0.00 0.00 0.00 54.97 53.34 3iam s GLU 66 Cb 0.05 0.20 0.32 0.00 2.00 0.00 0.00 34.13 36.70 3iam s GLU 66 CO 0.26 -0.30 1.87 -0.09 -0.56 0.00 0.00 175.26 176.44 3iam h ARG 67 N 2.75 1.01 -6.14 4.30 2.43 -1.82 -3.44 114.38 113.46 3iam h ARG 67 Ca -0.36 -0.06 -0.51 0.00 -0.81 0.00 0.00 59.98 58.24 3iam h ARG 67 Cb 1.22 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 30.51 3iam h ARG 67 CO 0.57 0.67 -0.36 -0.06 -1.51 0.00 0.00 179.97 179.28 3iam s PHE 68 N -6.07 2.49 -0.25 2.20 0.40 -1.04 -1.83 117.98 113.88 3iam s PHE 68 Ca -0.13 -0.56 -0.26 0.00 -0.60 0.00 0.00 56.93 55.38 3iam s PHE 68 Cb 0.18 -2.12 0.13 0.00 0.51 0.00 0.00 43.02 41.71 3iam s PHE 68 CO 0.80 -0.20 1.05 0.00 0.70 0.00 0.00 175.22 177.57 3iam s ALA 69 N -2.53 -1.98 -0.03 5.36 0.00 -0.78 -1.28 121.76 120.52 3iam s ALA 69 Ca 0.46 1.80 0.07 0.00 0.00 0.00 0.00 51.96 54.29 3iam s ALA 69 Cb -0.03 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 3iam s ALA 69 CO 0.27 -0.25 -0.23 0.08 0.00 0.00 0.00 175.76 175.63 3iam s VAL 70 N -0.11 1.85 -0.08 0.00 1.01 -0.68 -0.62 120.40 121.77 3iam s VAL 70 Ca 0.02 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.04 3iam s VAL 70 Cb -0.04 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 3iam s VAL 70 CO -0.05 0.52 -0.18 -0.69 0.00 0.00 0.00 175.10 174.71 3iam s VAL 71 N -0.44 2.71 0.17 2.92 1.01 0.08 -1.72 120.40 125.13 3iam s VAL 71 Ca 0.06 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.31 3iam s VAL 71 Cb -0.10 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 3iam s VAL 71 CO 0.00 0.56 -0.12 -0.31 0.00 0.00 0.00 175.10 175.23 3iam s TYR 72 N -0.14 2.59 -0.16 5.22 1.51 0.58 -0.07 117.35 126.88 3iam s TYR 72 Ca -0.02 -0.24 0.00 0.00 -1.01 0.00 0.00 57.07 55.81 3iam s TYR 72 Cb -0.14 -1.29 0.03 0.00 -0.11 0.00 0.00 41.96 40.45 3iam s TYR 72 CO 0.04 0.49 -0.13 -2.00 -1.11 0.00 0.00 175.55 172.84 3iam s GLU 73 N -2.70 2.24 0.01 -0.62 2.12 -0.85 -0.48 118.70 118.42 3iam s GLU 73 Ca 0.23 -0.65 0.04 0.00 0.36 0.00 0.00 54.97 54.96 3iam s GLU 73 Cb -0.09 -2.21 -0.03 0.00 0.26 0.00 0.00 34.13 32.06 3iam s GLU 73 CO 0.14 -0.29 -0.08 -0.51 -0.54 0.00 0.00 175.26 173.98 3iam s LEU 74 N 1.46 3.09 0.09 2.70 1.43 -0.31 -2.48 118.68 124.65 3iam s LEU 74 Ca 0.03 -0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 52.89 3iam s LEU 74 Cb -0.14 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 3iam s LEU 74 CO -0.10 0.27 0.10 -0.69 0.23 0.00 0.00 176.35 176.16 3iam s VAL 75 N -1.00 0.16 -0.42 -1.59 1.01 -0.86 -1.90 120.40 115.80 3iam s VAL 75 Ca 0.17 -1.52 0.02 0.00 0.00 0.00 0.00 61.98 60.65 3iam s VAL 75 Cb -0.11 -1.53 0.13 0.00 0.00 0.00 0.00 36.38 34.87 3iam s VAL 75 CO 0.07 -0.73 0.20 -0.44 0.00 0.00 0.00 175.10 174.21 3iam s SER 76 N -2.91 3.90 0.04 3.32 0.01 -0.84 -2.57 113.70 114.65 3iam s SER 76 Ca 0.09 -2.50 -0.35 0.00 1.31 0.00 0.00 55.95 54.50 3iam s SER 76 Cb 0.06 -1.15 -0.14 0.00 0.21 0.00 0.00 66.02 65.00 3iam s SER 76 CO -0.08 -0.29 1.62 0.18 0.41 0.00 0.00 173.24 175.07 3iam n LEU 77 N 3.73 2.82 -0.84 2.44 4.77 -1.26 -1.83 117.00 126.83 3iam n LEU 77 Ca 0.06 1.06 -0.00 0.00 -0.03 0.00 0.00 56.01 57.10 3iam n LEU 77 Cb 0.36 -1.34 0.01 0.00 -2.33 0.00 0.00 43.42 40.12 3iam n LEU 77 CO 0.24 -0.40 0.42 -2.65 -1.33 0.00 0.00 177.39 173.67 3iam n PRO 78 N 4.21 1.11 -2.03 3.23 -0.02 -1.26 -3.57 135.00 136.67 3iam n PRO 78 Ca 0.20 -0.14 0.02 0.00 -2.02 0.00 0.00 63.50 61.56 3iam n PRO 78 Cb 0.25 -1.26 0.03 0.00 -0.02 0.00 0.00 33.50 32.51 3iam n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iam n GLY 79 N 0.25 1.36 0.00 -1.23 0.00 -1.26 -5.04 105.19 99.27 3iam n GLY 79 Ca 0.02 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3iam n GLY 79 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3iam n TRP 80 N 0.04 0.00 0.00 1.61 -0.00 -1.23 -5.09 117.44 112.77 3iam n TRP 80 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.57 3iam n TRP 80 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.32 3iam n TRP 80 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 3iam n LYS 81 N 0.00 0.00 0.00 5.87 4.76 -1.26 -4.78 118.16 122.75 3iam n LYS 81 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3iam n LYS 81 Cb 0.00 -0.51 0.00 0.00 -1.84 0.00 0.00 35.03 32.68 3iam n LYS 81 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3iam n ASP 82 N -0.01 3.68 0.00 4.39 5.75 -1.26 -5.10 116.55 124.00 3iam n ASP 82 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3iam n ASP 82 Cb 0.00 0.61 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 3iam n ASP 82 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iam n GLY 83 N 2.01 0.00 0.09 6.12 0.00 -1.26 -4.89 105.19 107.25 3iam n GLY 83 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3iam n GLY 83 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3iam h ASP 84 N 0.00 0.15 0.00 1.61 3.04 -1.83 -3.39 116.42 116.00 3iam h ASP 84 Ca 0.00 -0.24 0.00 0.00 -3.24 0.00 0.00 57.03 53.55 3iam h ASP 84 Cb 0.00 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 38.24 3iam h ASP 84 CO 0.00 1.21 0.00 0.61 -2.04 0.00 0.00 179.24 179.02 3iam n GLY 85 N 1.58 1.77 3.76 7.15 0.00 -0.76 -4.84 105.19 113.85 3iam n GLY 85 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3iam n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iam s SER 86 N -2.00 7.05 0.07 1.61 0.01 -1.26 -4.79 113.70 114.39 3iam s SER 86 Ca 0.00 2.43 -0.06 0.00 1.31 0.00 0.00 55.95 59.63 3iam s SER 86 Cb 0.00 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 3iam s SER 86 CO 0.00 -0.32 0.11 -0.60 0.41 0.00 0.00 173.24 172.84 3iam s ARG 87 N -1.41 0.76 0.00 12.44 3.52 -1.26 -1.98 118.95 131.01 3iam s ARG 87 Ca 0.47 -1.05 0.00 0.00 -0.13 0.00 0.00 55.73 55.02 3iam s ARG 87 Cb -0.35 0.29 0.00 0.00 -1.56 0.00 0.00 34.95 33.33 3iam s ARG 87 CO 0.45 -0.21 0.00 1.97 -0.81 0.00 0.00 175.30 176.70 3iam n PHE 88 N 0.00 0.00 -4.52 5.12 -1.74 -0.80 -4.94 117.46 110.59 3iam n PHE 88 Ca -0.15 0.00 -0.31 0.00 -0.56 0.00 0.00 57.45 56.43 3iam n PHE 88 Cb 0.62 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.50 3iam n PHE 88 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 3iam s PHE 89 N -2.00 2.69 -0.08 2.97 0.40 -1.08 -1.16 117.98 119.72 3iam s PHE 89 Ca 0.00 -0.17 0.03 0.00 -0.60 0.00 0.00 56.93 56.19 3iam s PHE 89 Cb 0.00 -1.50 0.01 0.00 0.51 0.00 0.00 43.02 42.03 3iam s PHE 89 CO 0.00 0.32 -0.18 0.54 0.70 0.00 0.00 175.22 176.60 3iam s VAL 90 N -1.00 1.59 0.15 -0.44 0.11 0.36 -2.41 120.40 118.76 3iam s VAL 90 Ca 0.17 -0.74 0.09 0.00 -2.93 0.00 0.00 61.98 58.56 3iam s VAL 90 Cb -0.11 -1.40 -0.04 0.00 -1.53 0.00 0.00 36.38 33.30 3iam s VAL 90 CO 0.07 0.45 -0.21 0.00 -3.33 0.00 0.00 175.10 172.09 3iam s ARG 91 N 0.49 1.29 -0.08 1.54 1.70 -0.96 -0.30 118.95 122.62 3iam s ARG 91 Ca -0.16 -1.37 -0.04 0.00 -0.47 0.00 0.00 55.73 53.68 3iam s ARG 91 Cb -0.17 -1.48 0.04 0.00 -0.57 0.00 0.00 34.95 32.77 3iam s ARG 91 CO 0.06 0.32 0.20 0.14 -1.08 0.00 0.00 175.30 174.94 3iam s VAL 92 N -1.70 -0.04 0.56 4.99 -7.23 -0.70 -2.44 120.40 113.84 3iam s VAL 92 Ca 0.14 0.14 -0.15 0.00 -1.81 0.00 0.00 61.98 60.31 3iam s VAL 92 Cb -0.07 -0.31 -0.06 0.00 0.56 0.00 0.00 36.38 36.50 3iam s VAL 92 CO 0.07 0.06 1.01 -0.31 -0.31 0.00 0.00 175.10 175.61 3iam s TYR 93 N 1.07 3.47 -0.05 2.82 1.51 -1.26 -1.69 117.35 123.21 3iam s TYR 93 Ca -0.08 1.41 -0.02 0.00 -1.01 0.00 0.00 57.07 57.37 3iam s TYR 93 Cb -0.10 -2.79 0.04 0.00 -0.11 0.00 0.00 41.96 39.00 3iam s TYR 93 CO -0.06 -0.54 0.10 0.08 -1.11 0.00 0.00 175.55 174.02 3iam s VAL 94 N -2.80 -0.11 0.45 0.71 1.01 -0.40 -4.80 120.40 114.45 3iam s VAL 94 Ca 0.58 0.28 -0.20 0.00 0.00 0.00 0.00 61.98 62.64 3iam s VAL 94 Cb -0.11 -0.19 -0.14 0.00 0.00 0.00 0.00 36.38 35.94 3iam s VAL 94 CO 0.39 0.12 0.19 -2.65 0.00 0.00 0.00 175.10 173.14 3iam n PRO 95 N 4.68 0.18 0.00 2.72 -0.02 -1.26 -2.49 135.00 138.81 3iam n PRO 95 Ca -0.17 0.07 -0.17 0.00 -2.02 0.00 0.00 63.50 61.20 3iam n PRO 95 Cb 0.50 -1.19 -0.11 0.00 -0.02 0.00 0.00 33.50 32.68 3iam n PRO 95 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3iam h GLU 96 N 0.34 0.37 -0.98 -0.52 4.81 -1.95 -3.32 114.58 113.32 3iam h GLU 96 Ca -0.40 -0.41 -0.00 0.00 -0.13 0.00 0.00 59.36 58.42 3iam h GLU 96 Cb 1.43 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.93 3iam h GLU 96 CO 0.47 1.10 0.01 -0.85 -0.73 0.00 0.00 179.01 179.00 3iam n GLU 97 N -4.24 1.20 -2.68 1.92 0.00 -1.26 -4.14 120.64 111.43 3iam n GLU 97 Ca -0.11 -0.17 -0.05 0.00 0.00 0.00 0.00 57.16 56.83 3iam n GLU 97 Cb 0.67 -1.47 0.06 0.00 0.00 0.00 0.00 31.44 30.70 3iam n GLU 97 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3iam n ASP 98 N 0.09 -1.65 -0.81 -1.84 2.03 -1.25 -5.06 116.55 108.06 3iam n ASP 98 Ca 0.02 -1.96 0.00 0.00 0.52 0.00 0.00 54.79 53.37 3iam n ASP 98 Cb 0.34 0.93 0.00 0.00 -0.72 0.00 0.00 41.12 41.67 3iam n ASP 98 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3iam n PRO 99 N 1.73 0.57 -3.58 -0.67 -0.04 -1.26 -4.34 135.00 127.42 3iam n PRO 99 Ca 0.05 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.14 3iam n PRO 99 Cb 0.68 -1.24 -0.06 0.00 -0.04 0.00 0.00 33.50 32.84 3iam n PRO 99 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3iam s ARG 100 N -0.11 3.79 -0.30 0.54 3.52 -1.26 -0.10 118.95 125.04 3iam s ARG 100 Ca 0.00 0.25 -0.05 0.00 -0.13 0.00 0.00 55.73 55.80 3iam s ARG 100 Cb 0.00 -3.14 0.16 0.00 -1.56 0.00 0.00 34.95 30.41 3iam s ARG 100 CO 0.00 0.66 0.61 -1.17 -0.81 0.00 0.00 175.30 174.59 3iam s LEU 101 N -1.37 -1.26 0.39 -0.88 2.96 -0.63 -4.93 118.68 112.95 3iam s LEU 101 Ca 0.26 1.16 -0.25 0.00 -0.22 0.00 0.00 54.13 55.08 3iam s LEU 101 Cb -0.15 2.19 -0.12 0.00 0.50 0.00 0.00 46.19 48.61 3iam s LEU 101 CO 0.14 -0.24 0.87 -0.81 -1.32 0.00 0.00 176.35 174.98 3iam n PRO 102 N 5.44 1.09 -2.15 0.98 -0.04 -1.26 -2.80 135.00 136.25 3iam n PRO 102 Ca -0.06 0.39 -0.29 0.00 -0.04 0.00 0.00 63.50 63.50 3iam n PRO 102 Cb 0.50 -1.82 0.01 0.00 -0.04 0.00 0.00 33.50 32.16 3iam n PRO 102 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3iam s THR 103 N -1.27 4.49 -0.24 0.52 -1.32 -1.17 -4.72 115.64 111.92 3iam s THR 103 Ca 0.62 0.53 0.15 0.00 -1.21 0.00 0.00 61.69 61.78 3iam s THR 103 Cb -0.61 -3.77 0.35 0.00 -1.51 0.00 0.00 72.50 66.95 3iam s THR 103 CO 0.58 -0.92 1.25 1.33 -2.21 0.00 0.00 174.62 174.65 3iam n VAL 104 N -2.62 1.81 0.31 5.08 0.24 -1.26 -4.66 118.33 117.23 3iam n VAL 104 Ca 0.04 -1.79 0.19 0.00 -2.04 0.00 0.00 64.34 60.75 3iam n VAL 104 Cb 0.55 -0.05 1.03 0.00 -1.47 0.00 0.00 33.84 33.90 3iam n VAL 104 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 3iam h THR 105 N 0.96 0.14 -0.51 3.34 2.02 -1.90 0.29 112.91 117.25 3iam h THR 105 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 3iam h THR 105 Cb 1.07 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 68.34 3iam h THR 105 CO 0.09 0.00 0.29 0.44 0.37 0.00 0.00 175.52 176.71 3iam h ASP 106 N 0.00 0.46 0.02 4.18 3.32 -1.94 -3.37 116.42 119.08 3iam h ASP 106 Ca 0.02 0.01 -0.31 0.00 0.02 0.00 0.00 57.03 56.77 3iam h ASP 106 Cb 0.24 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 3iam h ASP 106 CO -0.00 0.32 -1.71 0.18 -1.72 0.00 0.00 179.24 176.31 3iam n LEU 107 N -4.82 2.02 -4.36 1.55 4.77 0.89 -4.94 117.00 112.12 3iam n LEU 107 Ca 0.04 0.35 -0.31 0.00 -0.03 0.00 0.00 56.01 56.06 3iam n LEU 107 Cb 0.09 -0.95 -0.15 0.00 -2.33 0.00 0.00 43.42 40.08 3iam n LEU 107 CO 0.31 0.45 -0.54 0.26 -1.33 0.00 0.00 177.39 176.54 3iam s TRP 108 N -2.43 2.42 0.06 -1.77 0.51 -0.44 -5.03 118.94 112.28 3iam s TRP 108 Ca -0.31 -0.37 0.04 0.00 -2.12 0.00 0.00 56.10 53.35 3iam s TRP 108 Cb 0.08 -1.52 -0.24 0.00 -0.81 0.00 0.00 33.47 30.99 3iam s TRP 108 CO 0.59 0.03 1.08 0.78 -0.51 0.00 0.00 176.95 178.92 3iam h GLY 109 N 5.37 0.10 1.67 0.98 0.00 -1.87 -3.23 103.07 106.09 3iam h GLY 109 Ca -0.44 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 3iam h GLY 109 CO 0.48 0.22 0.17 1.48 0.00 0.00 0.00 176.54 178.88 3iam h SER 110 N 0.02 0.38 0.00 0.19 4.64 -1.96 -2.67 113.55 114.16 3iam h SER 110 Ca -0.12 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3iam h SER 110 Cb 1.89 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.88 3iam h SER 110 CO 0.14 0.32 0.09 0.00 -0.87 0.00 0.00 176.83 176.51 3iam n ALA 111 N -2.49 0.83 -0.72 5.18 0.00 -1.22 -3.53 120.51 118.56 3iam n ALA 111 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3iam n ALA 111 Cb 0.10 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3iam n ALA 111 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3iam n ASN 112 N -1.49 0.00 -0.27 0.00 5.15 -1.01 -1.78 115.26 115.86 3iam n ASN 112 Ca -0.00 0.57 0.03 0.00 -0.60 0.00 0.00 54.58 54.58 3iam n ASN 112 Cb 0.09 -0.14 0.16 0.00 -0.53 0.00 0.00 39.78 39.37 3iam n ASN 112 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 3iam h PHE 113 N 0.00 0.73 -0.44 1.20 -1.00 -1.82 -2.60 116.94 113.01 3iam h PHE 113 Ca 0.00 0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.85 3iam h PHE 113 Cb 0.00 -0.21 -0.04 0.00 3.61 0.00 0.00 35.95 39.31 3iam h PHE 113 CO 0.05 0.26 0.20 -0.07 -1.61 0.00 0.00 178.31 177.14 3iam h LEU 114 N 0.66 0.27 -1.07 1.54 3.38 -1.68 -1.56 115.31 116.86 3iam h LEU 114 Ca 0.39 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.33 3iam h LEU 114 Cb 0.42 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3iam h LEU 114 CO -0.28 0.19 0.05 -0.33 0.09 0.00 0.00 178.44 178.16 3iam h GLU 115 N 0.40 0.71 -0.50 1.13 5.08 -1.02 -2.74 114.58 117.63 3iam h GLU 115 Ca 0.20 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3iam h GLU 115 Cb 0.13 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3iam h GLU 115 CO -0.16 0.69 0.24 0.00 -1.00 0.00 0.00 179.01 178.78 3iam h ARG 116 N 0.68 0.72 -0.56 2.33 3.08 -0.95 -2.74 114.38 116.94 3iam h ARG 116 Ca 0.14 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3iam h ARG 116 Cb 0.34 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 3iam h ARG 116 CO 0.01 0.61 0.28 1.49 -1.07 0.00 0.00 179.97 181.29 3iam h GLU 117 N 0.67 0.81 -0.01 0.04 4.81 -1.21 -0.27 114.58 119.41 3iam h GLU 117 Ca 0.17 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3iam h GLU 117 Cb 0.13 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 3iam h GLU 117 CO -0.02 0.65 0.01 0.28 -0.73 0.00 0.00 179.01 179.20 3iam h VAL 118 N 0.76 0.43 0.08 0.32 2.07 -1.30 -1.58 116.25 117.02 3iam h VAL 118 Ca 0.19 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.39 3iam h VAL 118 Cb 0.10 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3iam h VAL 118 CO -0.03 0.00 -1.80 0.22 0.02 0.00 0.00 177.57 175.98 3iam h TYR 119 N 0.00 0.31 0.85 1.57 3.20 -1.09 -2.63 116.97 119.17 3iam h TYR 119 Ca 0.00 -0.22 -0.04 0.00 3.14 0.00 0.00 58.73 61.61 3iam h TYR 119 Cb 0.02 -0.01 0.01 0.00 1.54 0.00 0.00 36.73 38.29 3iam h TYR 119 CO 0.00 1.43 -0.41 0.22 -1.64 0.00 0.00 178.16 177.76 3iam h ASP 120 N 0.05 -0.97 0.61 -2.11 1.82 -0.49 -3.35 116.42 111.98 3iam h ASP 120 Ca -0.34 0.03 -0.20 0.00 -0.39 0.00 0.00 57.03 56.13 3iam h ASP 120 Cb 2.02 0.25 -0.01 0.00 0.68 0.00 0.00 39.33 42.27 3iam h ASP 120 CO 0.10 -0.63 -0.90 -0.07 -1.61 0.00 0.00 179.24 176.13 3iam h LEU 121 N -1.25 0.24 -9.32 2.28 3.38 -1.47 -3.41 115.31 105.76 3iam h LEU 121 Ca -0.12 -0.20 -0.60 0.00 0.09 0.00 0.00 57.88 57.05 3iam h LEU 121 Cb 0.88 -0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.43 3iam h LEU 121 CO 0.19 1.02 -0.72 -0.36 0.09 0.00 0.00 178.44 178.66 3iam s PHE 122 N -3.16 2.49 -0.64 1.13 0.40 -0.99 -1.29 117.98 115.91 3iam s PHE 122 Ca -0.03 -0.28 0.01 0.00 -0.60 0.00 0.00 56.93 56.03 3iam s PHE 122 Cb 0.10 -1.13 0.05 0.00 0.51 0.00 0.00 43.02 42.55 3iam s PHE 122 CO 0.83 0.63 0.74 0.41 0.70 0.00 0.00 175.22 178.53 3iam n GLY 123 N -0.49 1.79 3.67 4.36 0.00 -1.26 -3.86 105.19 109.40 3iam n GLY 123 Ca -0.07 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3iam n GLY 123 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iam s ILE 124 N -0.81 4.80 0.43 -0.61 1.01 -1.26 -4.85 121.20 119.91 3iam s ILE 124 Ca 0.04 1.88 -0.16 0.00 0.00 0.00 0.00 60.65 62.41 3iam s ILE 124 Cb 0.03 -4.24 -0.08 0.00 0.01 0.00 0.00 42.46 38.17 3iam s ILE 124 CO 0.01 -0.03 0.87 -0.69 0.00 0.00 0.00 174.94 175.10 3iam s VAL 125 N 2.33 4.60 -0.27 2.92 1.01 0.86 -4.17 120.40 127.68 3iam s VAL 125 Ca 0.43 1.07 0.01 0.00 0.00 0.00 0.00 61.98 63.49 3iam s VAL 125 Cb -0.17 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.62 3iam s VAL 125 CO 0.13 -0.45 0.01 -0.36 0.00 0.00 0.00 175.10 174.43 3iam s PHE 126 N -2.32 2.48 -0.53 5.22 0.40 -1.25 -1.61 117.98 120.38 3iam s PHE 126 Ca 0.57 -1.99 -0.26 0.00 -0.60 0.00 0.00 56.93 54.64 3iam s PHE 126 Cb -0.10 -1.89 -0.08 0.00 0.51 0.00 0.00 43.02 41.47 3iam s PHE 126 CO 0.24 -0.83 2.43 0.39 0.70 0.00 0.00 175.22 178.15 3iam n GLU 127 N 4.63 0.97 0.00 0.44 -0.58 -1.12 -2.56 120.64 122.42 3iam n GLU 127 Ca -0.06 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 3iam n GLU 127 Cb 0.43 -3.37 0.00 0.00 -0.57 0.00 0.00 31.44 27.93 3iam n GLU 127 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iam n GLY 128 N 6.07 1.28 3.71 0.62 0.00 -1.26 -3.05 105.19 112.56 3iam n GLY 128 Ca 0.39 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 3iam n GLY 128 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3iam s HIS 129 N -2.00 3.66 0.09 1.61 5.04 -1.06 -4.92 115.29 117.72 3iam s HIS 129 Ca 0.00 1.66 -0.03 0.00 -1.54 0.00 0.00 55.06 55.15 3iam s HIS 129 Cb 0.00 -3.09 0.15 0.00 0.04 0.00 0.00 32.58 29.68 3iam s HIS 129 CO 0.00 0.01 0.52 -2.30 -2.34 0.00 0.00 174.74 170.63 3iam n PRO 130 N 3.83 -0.03 -3.14 2.88 -0.02 -1.26 -3.88 135.00 133.37 3iam n PRO 130 Ca 0.05 0.52 0.03 0.00 -2.02 0.00 0.00 63.50 62.08 3iam n PRO 130 Cb 0.51 -0.77 -0.00 0.00 -0.02 0.00 0.00 33.50 33.21 3iam n PRO 130 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3iam s ASP 131 N -5.09 -1.34 -1.03 2.55 -4.77 -1.26 -5.07 116.67 100.66 3iam s ASP 131 Ca -0.05 -0.06 -0.24 0.00 -3.30 0.00 0.00 52.55 48.90 3iam s ASP 131 Cb 0.09 1.80 -0.09 0.00 -1.09 0.00 0.00 42.92 43.63 3iam s ASP 131 CO 0.26 -0.22 1.99 -0.76 0.70 0.00 0.00 175.17 177.13 3iam s LEU 132 N 2.60 3.03 -0.03 2.11 1.43 -1.25 -4.89 118.68 121.68 3iam s LEU 132 Ca 0.15 -1.08 0.06 0.00 -1.03 0.00 0.00 54.13 52.22 3iam s LEU 132 Cb -0.07 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.56 3iam s LEU 132 CO -0.21 -3.13 -0.20 -0.13 0.23 0.00 0.00 176.35 172.91 3iam s ARG 133 N 7.02 2.30 -0.02 1.70 0.52 -1.26 -5.09 118.95 124.11 3iam s ARG 133 Ca 0.72 -0.82 -0.39 0.00 -0.52 0.00 0.00 55.73 54.72 3iam s ARG 133 Cb -0.04 -2.21 -0.19 0.00 0.52 0.00 0.00 34.95 33.02 3iam s ARG 133 CO 0.07 0.59 1.05 1.17 0.02 0.00 0.00 175.30 178.21 3iam n LYS 134 N 2.33 0.00 -0.12 3.54 4.81 -1.26 -4.88 118.16 122.58 3iam n LYS 134 Ca -0.17 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.06 3iam n LYS 134 Cb 0.52 -1.44 -0.07 0.00 0.02 0.00 0.00 35.03 34.05 3iam n LYS 134 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3iam n ILE 135 N 1.55 1.52 -0.12 3.15 5.41 -1.26 -4.93 119.36 124.67 3iam n ILE 135 Ca 0.20 -0.16 -0.25 0.00 1.00 0.00 0.00 62.75 63.54 3iam n ILE 135 Cb 0.07 -2.08 -0.09 0.00 -0.71 0.00 0.00 39.64 36.83 3iam n ILE 135 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3iam n LEU 136 N -4.35 1.92 -4.77 1.39 4.77 -1.26 -4.97 117.00 109.74 3iam n LEU 136 Ca -0.37 0.23 -0.40 0.00 -0.03 0.00 0.00 56.01 55.44 3iam n LEU 136 Cb 0.72 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3iam n LEU 136 CO 0.11 0.57 0.87 0.42 -1.33 0.00 0.00 177.39 178.03 3iam s THR 137 N -2.45 3.11 0.71 -5.08 -4.23 -1.26 -4.97 115.64 101.48 3iam s THR 137 Ca -0.34 1.06 -0.17 0.00 -1.18 0.00 0.00 61.69 61.07 3iam s THR 137 Cb 0.12 -3.65 -0.09 0.00 1.34 0.00 0.00 72.50 70.22 3iam s THR 137 CO 0.44 0.21 0.07 -0.81 -0.54 0.00 0.00 174.62 173.99 3iam n PRO 138 N 0.71 0.14 -0.26 3.99 -0.04 -1.26 -4.86 135.00 133.42 3iam n PRO 138 Ca 0.01 0.07 0.02 0.00 -0.04 0.00 0.00 63.50 63.56 3iam n PRO 138 Cb 0.44 -1.41 0.24 0.00 -0.04 0.00 0.00 33.50 32.73 3iam n PRO 138 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3iam h GLU 139 N -0.40 1.00 -1.00 0.54 4.57 -1.98 -2.76 114.58 114.56 3iam h GLU 139 Ca -0.44 -0.06 -0.56 0.00 -1.18 0.00 0.00 59.36 57.12 3iam h GLU 139 Cb 1.37 -0.23 -0.30 0.00 -0.16 0.00 0.00 28.75 29.43 3iam h GLU 139 CO 0.38 0.66 0.71 -0.40 -1.18 0.00 0.00 179.01 179.18 3iam n ASP 140 N -4.44 4.71 -4.65 1.04 5.75 -1.26 -4.93 116.55 112.76 3iam n ASP 140 Ca 0.11 -3.65 -0.42 0.00 -0.01 0.00 0.00 54.79 50.81 3iam n ASP 140 Cb 0.10 -0.87 -0.04 0.00 -1.03 0.00 0.00 41.12 39.28 3iam n ASP 140 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3iam s LEU 141 N -3.43 4.12 -0.79 -2.12 2.96 -1.04 -5.00 118.68 113.38 3iam s LEU 141 Ca 0.59 1.10 -0.26 0.00 -0.22 0.00 0.00 54.13 55.33 3iam s LEU 141 Cb 0.49 -3.22 0.03 0.00 0.50 0.00 0.00 46.19 43.99 3iam s LEU 141 CO 0.08 -0.48 1.30 -0.70 -1.32 0.00 0.00 176.35 175.24 3iam s GLU 142 N 2.60 3.26 0.00 1.98 2.56 -1.26 -4.87 118.70 122.96 3iam s GLU 142 Ca 0.36 -0.39 0.00 0.00 0.00 0.00 0.00 54.97 54.94 3iam s GLU 142 Cb -0.16 -4.38 0.00 0.00 2.00 0.00 0.00 34.13 31.60 3iam s GLU 142 CO 0.09 -2.16 0.00 0.41 -0.56 0.00 0.00 175.26 173.04 3iam n GLY 143 N 5.63 -1.08 2.81 -1.50 0.00 -1.26 -4.95 105.19 104.84 3iam n GLY 143 Ca 0.08 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.69 3iam n GLY 143 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3iam s HIS 144 N 0.00 2.30 0.24 1.61 3.76 -1.26 -4.95 115.29 116.98 3iam s HIS 144 Ca 0.00 -2.18 -0.06 0.00 -0.15 0.00 0.00 55.06 52.67 3iam s HIS 144 Cb 0.00 -2.07 0.32 0.00 1.11 0.00 0.00 32.58 31.94 3iam s HIS 144 CO 0.00 -0.88 1.86 -1.00 -0.85 0.00 0.00 174.74 173.87 3iam h PRO 145 N 7.76 0.97 0.00 8.40 0.13 -1.77 -2.97 132.00 144.53 3iam h PRO 145 Ca -0.09 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 3iam h PRO 145 Cb 1.00 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3iam h PRO 145 CO 0.49 0.64 0.00 -0.11 -0.23 0.00 0.00 178.00 178.79 3iam n LEU 146 N -4.60 0.00 -4.84 1.56 -0.00 -0.41 -4.70 117.00 104.00 3iam n LEU 146 Ca 0.12 0.48 -0.32 0.00 -0.00 0.00 0.00 56.01 56.29 3iam n LEU 146 Cb 0.16 -0.48 -0.06 0.00 -0.00 0.00 0.00 43.42 43.04 3iam n LEU 146 CO 0.32 -0.19 0.57 0.00 -0.00 0.00 0.00 177.39 178.08 3iam s ARG 147 N -2.96 4.07 0.22 1.96 1.70 -1.12 -4.88 118.95 117.94 3iam s ARG 147 Ca 0.09 0.90 -0.08 0.00 -0.47 0.00 0.00 55.73 56.17 3iam s ARG 147 Cb 0.12 -2.27 0.34 0.00 -0.57 0.00 0.00 34.95 32.57 3iam s ARG 147 CO 0.32 -0.02 1.74 0.87 -1.08 0.00 0.00 175.30 177.13 3iam h LYS 148 N 1.77 0.41 -0.17 3.89 1.79 -1.87 -1.61 116.57 120.79 3iam h LYS 148 Ca -0.48 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 3iam h LYS 148 Cb 1.18 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 3iam h LYS 148 CO 0.63 0.27 0.00 -0.40 -1.08 0.00 0.00 179.45 178.87 3iam n ASP 149 N -5.00 0.17 -4.43 0.86 5.75 -1.26 -4.72 116.55 107.92 3iam n ASP 149 Ca 0.11 -1.82 -0.35 0.00 -0.01 0.00 0.00 54.79 52.72 3iam n ASP 149 Cb 0.32 -0.08 -0.13 0.00 -1.03 0.00 0.00 41.12 40.20 3iam n ASP 149 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3iam s TYR 150 N -1.81 3.01 0.48 2.11 5.04 -0.61 -5.08 117.35 120.48 3iam s TYR 150 Ca 0.00 -0.53 -0.23 0.00 -2.44 0.00 0.00 57.07 53.87 3iam s TYR 150 Cb 0.00 -2.05 -0.07 0.00 0.35 0.00 0.00 41.96 40.19 3iam s TYR 150 CO 0.00 -0.26 1.25 -2.14 -1.34 0.00 0.00 175.55 173.06 3iam s PRO 151 N 0.94 3.59 0.33 4.97 0.02 -1.26 -4.88 135.00 138.71 3iam s PRO 151 Ca 0.01 1.98 0.08 0.00 0.02 0.00 0.00 61.00 63.08 3iam s PRO 151 Cb -0.14 -2.42 0.57 0.00 0.02 0.00 0.00 34.50 32.53 3iam s PRO 151 CO 0.01 -0.75 1.78 1.25 -0.33 0.00 0.00 177.00 178.97 3iam h LEU 152 N 1.96 0.23 -2.77 -5.54 5.85 -1.94 -3.49 115.31 109.62 3iam h LEU 152 Ca -0.50 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.14 3iam h LEU 152 Cb 1.26 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3iam h LEU 152 CO 0.60 0.54 -0.04 0.61 -0.34 0.00 0.00 178.44 179.81 3iam n GLY 153 N -0.42 -0.70 3.76 3.75 0.00 -1.26 -5.05 105.19 105.27 3iam n GLY 153 Ca -0.01 0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3iam n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iam s GLU 154 N -2.69 2.99 -0.00 1.61 2.02 -1.26 -5.10 118.70 116.27 3iam s GLU 154 Ca 0.02 -0.53 -0.08 0.00 0.02 0.00 0.00 54.97 54.40 3iam s GLU 154 Cb -0.01 -2.81 -0.05 0.00 0.10 0.00 0.00 34.13 31.37 3iam s GLU 154 CO 0.27 0.64 0.28 0.99 0.02 0.00 0.00 175.26 177.46 3iam s THR 155 N -1.19 5.27 0.16 3.63 2.01 -1.26 -5.01 115.64 119.25 3iam s THR 155 Ca 0.23 0.29 -0.31 0.00 0.31 0.00 0.00 61.69 62.20 3iam s THR 155 Cb -0.12 -3.57 -0.09 0.00 0.01 0.00 0.00 72.50 68.73 3iam s THR 155 CO 0.14 0.42 1.49 -2.84 -0.69 0.00 0.00 174.62 173.13 3iam s PRO 156 N -1.59 4.26 0.28 4.92 0.02 -1.26 -4.74 135.00 136.89 3iam s PRO 156 Ca 0.26 2.25 -0.29 0.00 0.02 0.00 0.00 61.00 63.25 3iam s PRO 156 Cb -0.14 -3.18 -0.09 0.00 0.02 0.00 0.00 34.50 31.11 3iam s PRO 156 CO 0.14 -0.52 0.99 0.95 -0.33 0.00 0.00 177.00 178.23 3iam s THR 157 N 0.96 3.92 0.07 0.99 -4.23 -0.88 -4.86 115.64 111.62 3iam s THR 157 Ca 0.67 1.83 0.08 0.00 -1.18 0.00 0.00 61.69 63.08 3iam s THR 157 Cb -0.41 -4.12 -0.04 0.00 1.34 0.00 0.00 72.50 69.27 3iam s THR 157 CO 0.33 0.36 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.83 3iam s LEU 158 N -1.53 2.68 0.00 4.79 1.43 -1.26 -1.53 118.68 123.25 3iam s LEU 158 Ca 0.45 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 3iam s LEU 158 Cb -0.26 -1.55 -0.00 0.00 0.03 0.00 0.00 46.19 44.41 3iam s LEU 158 CO 0.32 0.22 0.05 0.49 0.23 0.00 0.00 176.35 177.66 3iam n PHE 159 N 1.22 -0.12 -1.56 0.29 3.01 -0.77 -5.03 117.46 114.49 3iam n PHE 159 Ca -0.16 -0.49 -0.31 0.00 1.01 0.00 0.00 57.45 57.50 3iam n PHE 159 Cb 0.52 0.05 0.06 0.00 -0.01 0.00 0.00 39.48 40.10 3iam n PHE 159 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3iam s ARG 160 N -2.24 2.71 -1.38 -1.08 0.52 -1.26 -4.09 118.95 112.12 3iam s ARG 160 Ca 0.07 0.87 0.00 0.00 -0.52 0.00 0.00 55.73 56.15 3iam s ARG 160 Cb 0.00 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.50 3iam s ARG 160 CO 0.05 -1.24 0.00 0.39 0.02 0.00 0.00 175.30 174.52 3iam n GLU 161 N -3.21 -1.08 -1.46 3.54 -0.58 -1.26 -1.71 120.64 114.88 3iam n GLU 161 Ca 0.07 0.85 -0.16 0.00 -0.42 0.00 0.00 57.16 57.50 3iam n GLU 161 Cb 0.54 -5.06 -0.07 0.00 -0.57 0.00 0.00 31.44 26.28 3iam n GLU 161 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iam n GLY 162 N -1.11 1.55 3.63 0.62 0.00 -1.26 -4.94 105.19 103.68 3iam n GLY 162 Ca -0.16 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 3iam n GLY 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iam s ARG 163 N -3.30 3.86 0.24 1.61 0.52 -0.70 -5.00 118.95 116.19 3iam s ARG 163 Ca 0.00 1.22 0.05 0.00 -0.52 0.00 0.00 55.73 56.48 3iam s ARG 163 Cb 0.00 -3.91 -0.05 0.00 0.52 0.00 0.00 34.95 31.51 3iam s ARG 163 CO 0.00 -1.19 -0.04 1.52 0.02 0.00 0.00 175.30 175.61 3iam s TYR 164 N 4.56 1.68 -0.04 -0.53 -0.85 -1.26 -1.84 117.35 119.06 3iam s TYR 164 Ca 0.58 -0.80 0.04 0.00 -0.52 0.00 0.00 57.07 56.36 3iam s TYR 164 Cb -0.17 -0.95 -0.00 0.00 0.38 0.00 0.00 41.96 41.23 3iam s TYR 164 CO 0.25 0.11 -0.15 0.42 -1.52 0.00 0.00 175.55 174.66 3iam s ILE 165 N -3.23 1.25 -0.40 -3.49 1.01 -0.58 -5.00 121.20 110.74 3iam s ILE 165 Ca 0.27 -0.61 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 3iam s ILE 165 Cb 0.04 -1.08 0.06 0.00 0.01 0.00 0.00 42.46 41.48 3iam s ILE 165 CO 0.09 0.37 0.25 -0.63 0.00 0.00 0.00 174.94 175.01 3iam s ILE 166 N 0.11 4.45 0.31 2.92 1.01 -1.26 -2.07 121.20 126.66 3iam s ILE 166 Ca -0.04 -1.14 0.07 0.00 0.00 0.00 0.00 60.65 59.54 3iam s ILE 166 Cb -0.11 -3.61 0.32 0.00 0.01 0.00 0.00 42.46 39.06 3iam s ILE 166 CO 0.02 -0.39 1.66 -0.65 0.00 0.00 0.00 174.94 175.58 3iam h PRO 167 N 8.45 0.29 -0.37 2.79 0.11 -1.95 0.33 132.00 141.64 3iam h PRO 167 Ca -0.24 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.89 3iam h PRO 167 Cb 1.09 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 3iam h PRO 167 CO 0.73 0.19 0.12 0.00 -0.21 0.00 0.00 178.00 178.83 3iam h ALA 168 N 1.80 0.43 -0.00 -0.75 0.00 -1.97 -2.18 119.26 116.58 3iam h ALA 168 Ca 0.63 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.58 3iam h ALA 168 Cb 1.32 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3iam h ALA 168 CO -0.61 -0.27 -0.02 0.39 0.00 0.00 0.00 179.25 178.74 3iam n GLU 169 N -5.02 0.76 -0.12 0.00 -0.58 0.04 -4.13 120.64 111.59 3iam n GLU 169 Ca 0.02 -0.09 -0.23 0.00 -0.42 0.00 0.00 57.16 56.44 3iam n GLU 169 Cb 0.14 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.39 3iam n GLU 169 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3iam n PHE 170 N -1.04 0.20 -1.57 -0.32 7.35 -0.82 -4.98 117.46 116.27 3iam n PHE 170 Ca 0.18 0.06 -0.57 0.00 -0.76 0.00 0.00 57.45 56.36 3iam n PHE 170 Cb 0.20 -1.02 -0.08 0.00 0.35 0.00 0.00 39.48 38.92 3iam n PHE 170 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3iam n ARG 171 N -3.69 0.84 0.19 -4.13 1.74 -1.06 -4.82 116.66 105.74 3iam n ARG 171 Ca -0.47 0.28 0.14 0.00 -0.77 0.00 0.00 57.85 57.04 3iam n ARG 171 Cb 0.94 -2.04 0.55 0.00 -1.02 0.00 0.00 32.46 30.89 3iam n ARG 171 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iam h ALA 172 N 8.63 1.00 -2.68 7.54 0.00 -1.94 -3.45 119.26 128.36 3iam h ALA 172 Ca -0.35 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.05 3iam h ALA 172 Cb 1.34 0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.18 3iam h ALA 172 CO 1.00 0.00 0.48 0.00 0.00 0.00 0.00 179.25 180.73 3iam s ALA 173 N -3.44 3.04 0.22 0.00 0.00 -1.26 -5.04 121.76 115.28 3iam s ALA 173 Ca 0.03 0.92 0.07 0.00 0.00 0.00 0.00 51.96 52.98 3iam s ALA 173 Cb 0.09 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 3iam s ALA 173 CO 0.47 -0.57 0.15 -0.51 0.00 0.00 0.00 175.76 175.30 3iam s LEU 174 N -2.82 3.73 -0.21 0.00 1.43 -1.26 -5.04 118.68 114.51 3iam s LEU 174 Ca 0.61 -0.25 0.15 0.00 -1.03 0.00 0.00 54.13 53.61 3iam s LEU 174 Cb -0.28 -2.30 0.56 0.00 0.03 0.00 0.00 46.19 44.19 3iam s LEU 174 CO 0.35 0.01 1.47 1.07 0.23 0.00 0.00 176.35 179.48 3iam n THR 175 N -0.79 2.40 0.00 5.49 5.66 -1.26 -4.98 114.28 120.79 3iam n THR 175 Ca -0.08 -1.97 0.00 0.00 -3.05 0.00 0.00 64.05 58.95 3iam n THR 175 Cb 0.57 -0.28 0.00 0.00 -1.55 0.00 0.00 70.33 69.07 3iam n THR 175 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3iam n GLY 176 N -0.53 1.02 0.17 1.09 0.00 -1.26 -3.93 105.19 101.75 3iam n GLY 176 Ca 0.25 -0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.41 3iam n GLY 176 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3iam n LYS 177 N 0.00 1.01 -2.85 1.61 4.81 -1.26 -4.86 118.16 116.62 3iam n LYS 177 Ca 0.00 -0.35 -0.41 0.00 -0.87 0.00 0.00 58.31 56.68 3iam n LYS 177 Cb 0.00 -1.49 -0.04 0.00 0.02 0.00 0.00 35.03 33.52 3iam n LYS 177 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3iam s ASP 178 N -2.22 7.20 0.35 3.14 -1.08 -1.25 -4.97 116.67 117.83 3iam s ASP 178 Ca 0.36 1.45 0.13 0.00 -0.52 0.00 0.00 52.55 53.98 3iam s ASP 178 Cb 0.21 -2.50 0.65 0.00 -1.46 0.00 0.00 42.92 39.82 3iam s ASP 178 CO 0.41 -0.22 1.77 1.55 0.52 0.00 0.00 175.17 179.21 3iam h PRO 179 N 6.82 0.00 0.00 4.34 0.13 -1.96 -3.43 132.00 137.90 3iam h PRO 179 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3iam h PRO 179 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3iam h PRO 179 CO 0.76 0.42 0.00 0.41 -0.23 0.00 0.00 178.00 179.36 3iam n GLY 180 N -0.24 0.49 0.11 1.56 0.00 -1.26 -3.94 105.19 101.91 3iam n GLY 180 Ca -0.02 -2.14 0.05 0.00 0.00 0.00 0.00 46.02 43.91 3iam n GLY 180 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3iam h LEU 181 N 0.00 0.00 0.00 0.99 5.85 -1.96 -3.46 115.31 116.73 3iam h LEU 181 Ca 0.00 0.00 -0.44 0.00 0.84 0.00 0.00 57.88 58.28 3iam h LEU 181 Cb 0.00 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.04 3iam h LEU 181 CO 0.00 0.34 -0.11 0.35 -0.34 0.00 0.00 178.44 178.68 3iam n THR 182 N -2.85 0.00 -0.23 1.05 -2.24 -1.26 -5.03 114.28 103.72 3iam n THR 182 Ca -0.05 -1.75 -0.05 0.00 -2.27 0.00 0.00 64.05 59.94 3iam n THR 182 Cb 0.72 -0.44 0.01 0.00 -2.10 0.00 0.00 70.33 68.52 3iam n THR 182 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3iam h PHE 183 N 0.24 -0.97 -3.83 4.78 0.05 -1.90 -3.45 116.94 111.87 3iam h PHE 183 Ca -0.26 0.08 -0.13 0.00 3.82 0.00 0.00 57.97 61.48 3iam h PHE 183 Cb 1.10 0.52 -0.09 0.00 2.00 0.00 0.00 35.95 39.48 3iam h PHE 183 CO 0.00 -0.39 -0.16 1.52 -0.18 0.00 0.00 178.31 179.10 3iam s TYR 184 N -5.98 0.62 0.07 -0.55 -0.85 -1.26 -4.92 117.35 104.48 3iam s TYR 184 Ca -0.14 -0.95 0.06 0.00 -0.52 0.00 0.00 57.07 55.51 3iam s TYR 184 Cb 0.16 0.08 -0.03 0.00 0.38 0.00 0.00 41.96 42.56 3iam s TYR 184 CO 0.69 -1.04 -0.16 -1.59 -1.52 0.00 0.00 175.55 171.94 3iam s LYS 185 N -3.66 0.92 0.22 -3.49 -2.85 -1.25 -4.95 119.74 104.68 3iam s LYS 185 Ca 0.26 -0.96 -0.04 0.00 -1.00 0.00 0.00 55.97 54.22 3iam s LYS 185 Cb -0.00 -0.99 0.02 0.00 -2.06 0.00 0.00 37.83 34.80 3iam s LYS 185 CO 0.13 0.23 0.37 0.41 0.10 0.00 0.00 175.35 176.58 3iam n GLY 186 N 1.37 2.02 7.00 0.59 0.00 -1.26 -4.88 105.19 110.02 3iam n GLY 186 Ca -0.20 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.47 3iam n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iam n GLY 187 N -0.33 3.13 0.00 -0.02 0.00 -1.26 -2.09 105.19 104.63 3iam n GLY 187 Ca -0.02 -0.22 0.03 0.00 0.00 0.00 0.00 46.02 45.82 3iam n GLY 187 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3iam n SER 188 N 2.55 0.00 -1.13 1.61 7.64 -1.26 -1.34 113.62 121.68 3iam n SER 188 Ca 0.00 0.10 0.10 0.00 1.01 0.00 0.00 58.87 60.08 3iam n SER 188 Cb 0.00 -0.22 0.27 0.00 -1.01 0.00 0.00 64.21 63.25 3iam n SER 188 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3iam n ARG 189 N -1.22 2.42 -0.00 1.43 1.74 -0.89 -3.44 116.66 116.71 3iam n ARG 189 Ca 0.04 -2.21 0.00 0.00 -0.77 0.00 0.00 57.85 54.91 3iam n ARG 189 Cb 0.05 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 3iam n ARG 189 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3iam n LYS 190 N 1.31 0.90 0.00 5.56 5.02 -0.45 -4.73 118.16 125.77 3iam n LYS 190 Ca 0.21 -0.98 0.00 0.00 -2.02 0.00 0.00 58.31 55.51 3iam n LYS 190 Cb 0.52 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.53 3iam n LYS 190 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iam n GLY 191 N -0.22 4.46 2.97 0.72 0.00 -1.22 -5.06 105.19 106.83 3iam n GLY 191 Ca 0.00 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 3iam n GLY 191 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3iam s TYR 192 N -0.46 0.38 -0.16 1.61 5.04 -1.26 -4.39 117.35 118.12 3iam s TYR 192 Ca 0.00 -0.23 -0.11 0.00 -2.44 0.00 0.00 57.07 54.29 3iam s TYR 192 Cb 0.00 -0.24 0.05 0.00 0.35 0.00 0.00 41.96 42.12 3iam s TYR 192 CO 0.00 -0.05 0.40 0.50 -1.34 0.00 0.00 175.55 175.06 3iam s ARG 193 N -0.63 0.42 0.73 4.97 3.52 -1.26 -5.17 118.95 121.54 3iam s ARG 193 Ca -0.04 0.69 -0.08 0.00 -0.13 0.00 0.00 55.73 56.17 3iam s ARG 193 Cb -0.05 0.08 0.07 0.00 -1.56 0.00 0.00 34.95 33.49 3iam s ARG 193 CO -0.00 -0.12 1.06 0.45 -0.81 0.00 0.00 175.30 175.88 3iam s SER 194 N 0.92 4.73 -0.63 -2.12 0.15 -1.26 -5.01 113.70 110.49 3iam s SER 194 Ca -0.06 0.55 0.01 0.00 0.70 0.00 0.00 55.95 57.15 3iam s SER 194 Cb -0.06 -1.16 0.41 0.00 -1.71 0.00 0.00 66.02 63.50 3iam s SER 194 CO -0.07 -1.68 1.69 0.18 1.20 0.00 0.00 173.24 174.56 3iam n LEU 195 N -3.03 6.53 0.00 3.45 7.99 -1.26 -5.28 117.00 125.40 3iam n LEU 195 Ca 0.08 -4.78 0.00 0.00 -0.01 0.00 0.00 56.01 51.30 3iam n LEU 195 Cb 0.61 -0.80 0.00 0.00 -0.11 0.00 0.00 43.42 43.12 3iam n LEU 195 CO 0.54 1.85 0.00 -2.67 -1.51 0.00 0.00 177.39 175.60