#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iam h ARG 16 N 0.00 0.38 -1.02 3.49 9.65 -2.03 -2.73 114.38 122.11 3iam h ARG 16 Ca 0.00 -0.02 -0.63 0.00 -1.10 0.00 0.00 59.98 58.23 3iam h ARG 16 Cb 0.00 -0.09 -0.36 0.00 -1.39 0.00 0.00 29.97 28.14 3iam h ARG 16 CO 0.00 0.25 0.07 0.39 2.80 0.00 0.00 179.97 183.48 3iam n GLU 17 N -4.96 3.13 -4.45 0.20 -0.58 -1.26 -4.49 120.64 108.23 3iam n GLU 17 Ca 0.04 -3.77 -0.34 0.00 -0.42 0.00 0.00 57.16 52.67 3iam n GLU 17 Cb 0.16 -2.28 -0.10 0.00 -0.57 0.00 0.00 31.44 28.65 3iam n GLU 17 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3iam s GLY 18 N -2.63 1.79 0.32 0.62 0.00 -1.03 -4.95 107.32 101.44 3iam s GLY 18 Ca 0.57 -0.89 0.22 0.00 0.00 0.00 0.00 44.72 44.63 3iam s GLY 18 CO -0.04 -0.69 1.17 1.39 0.00 0.00 0.00 173.10 174.93 3iam n ILE 19 N 1.95 -0.21 0.00 0.90 5.41 -1.26 -1.02 119.36 125.12 3iam n ILE 19 Ca -0.17 1.38 0.00 0.00 1.00 0.00 0.00 62.75 64.96 3iam n ILE 19 Cb 0.53 -2.26 0.00 0.00 -0.71 0.00 0.00 39.64 37.20 3iam n ILE 19 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3iam n LEU 20 N -4.29 0.00 -0.31 1.39 -0.00 -1.26 -0.97 117.00 111.57 3iam n LEU 20 Ca 0.30 0.73 0.04 0.00 -0.00 0.00 0.00 56.01 57.08 3iam n LEU 20 Cb 1.13 -0.23 0.19 0.00 -0.00 0.00 0.00 43.42 44.50 3iam n LEU 20 CO 0.11 -0.23 1.16 0.15 -0.00 0.00 0.00 177.39 178.58 3iam h PHE 21 N 0.00 0.92 0.29 1.96 3.57 -1.44 -2.35 116.94 119.88 3iam h PHE 21 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3iam h PHE 21 Cb 0.00 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 3iam h PHE 21 CO 0.02 0.37 -0.29 1.15 -2.23 0.00 0.00 178.31 177.32 3iam h THR 22 N 0.83 0.00 -0.03 4.41 2.02 -1.09 -1.40 112.91 117.65 3iam h THR 22 Ca 0.42 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.61 3iam h THR 22 Cb 0.40 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.81 3iam h THR 22 CO -0.26 0.00 0.16 0.74 0.37 0.00 0.00 175.52 176.54 3iam h THR 23 N -0.57 0.08 0.06 3.16 2.02 -0.91 -1.92 112.91 114.83 3iam h THR 23 Ca -0.04 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 3iam h THR 23 Cb 0.50 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3iam h THR 23 CO -0.04 0.00 -0.03 0.25 0.37 0.00 0.00 175.52 176.07 3iam h LEU 24 N 0.00 -0.07 -2.05 2.58 5.85 -0.78 -3.21 115.31 117.62 3iam h LEU 24 Ca 0.01 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.82 3iam h LEU 24 Cb 0.34 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3iam h LEU 24 CO -0.00 -0.02 0.37 1.05 -0.34 0.00 0.00 178.44 179.50 3iam h GLU 25 N -0.16 0.00 -0.74 1.25 4.11 -1.00 0.35 114.58 118.39 3iam h GLU 25 Ca -0.01 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.51 3iam h GLU 25 Cb 0.07 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 3iam h GLU 25 CO 0.01 0.00 0.40 0.87 0.07 0.00 0.00 179.01 180.36 3iam h LYS 26 N 0.00 0.67 0.03 1.06 1.57 -1.41 0.30 116.57 118.79 3iam h LYS 26 Ca 0.14 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3iam h LYS 26 Cb 0.87 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.03 3iam h LYS 26 CO -0.00 0.44 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.24 3iam h LEU 27 N 0.69 -0.03 -0.55 2.94 4.07 -0.31 -1.88 115.31 120.23 3iam h LEU 27 Ca 0.35 -0.57 0.11 0.00 0.08 0.00 0.00 57.88 57.86 3iam h LEU 27 Cb 0.32 0.01 -0.10 0.00 1.08 0.00 0.00 40.66 41.97 3iam h LEU 27 CO -0.24 0.57 -0.07 0.58 -1.08 0.00 0.00 178.44 178.20 3iam h VAL 28 N -0.64 0.50 0.12 1.22 2.07 -1.25 0.63 116.25 118.90 3iam h VAL 28 Ca -0.00 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3iam h VAL 28 Cb 0.60 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 3iam h VAL 28 CO 0.01 0.01 -0.33 0.00 0.02 0.00 0.00 177.57 177.27 3iam h ALA 29 N 1.52 -0.57 0.00 1.67 0.00 -1.00 0.35 119.26 121.23 3iam h ALA 29 Ca 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3iam h ALA 29 Cb 0.43 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3iam h ALA 29 CO -0.52 -0.88 0.24 2.35 0.00 0.00 0.00 179.25 180.44 3iam h TRP 30 N -0.56 0.00 0.00 0.00 2.91 -0.13 0.62 115.95 118.79 3iam h TRP 30 Ca 0.03 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.05 3iam h TRP 30 Cb 0.59 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.24 3iam h TRP 30 CO -0.30 0.00 0.00 0.41 -1.03 0.00 0.00 178.44 177.52 3iam n GLY 31 N -1.21 -0.57 0.00 2.65 0.00 0.20 -3.72 105.19 102.54 3iam n GLY 31 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 3iam n GLY 31 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3iam n ARG 32 N -1.96 0.05 0.10 1.61 1.85 -0.27 -0.54 116.66 117.49 3iam n ARG 32 Ca 0.00 0.05 -0.13 0.00 -1.00 0.00 0.00 57.85 56.76 3iam n ARG 32 Cb 0.00 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 29.83 3iam n ARG 32 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3iam h SER 33 N 0.00 -0.21 0.09 2.89 0.87 -0.96 -3.28 113.55 112.95 3iam h SER 33 Ca 0.00 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 3iam h SER 33 Cb 0.00 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3iam h SER 33 CO 0.00 0.09 -0.14 0.59 -0.53 0.00 0.00 176.83 176.84 3iam n ASN 34 N -5.07 1.45 -2.42 6.23 4.13 0.30 -3.97 115.26 115.90 3iam n ASN 34 Ca -0.09 -1.28 -0.34 0.00 1.68 0.00 0.00 54.58 54.55 3iam n ASN 34 Cb 0.21 0.09 0.06 0.00 -1.54 0.00 0.00 39.78 38.60 3iam n ASN 34 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3iam n SER 35 N -0.10 7.15 -4.64 6.41 3.41 -1.03 -4.99 113.62 119.84 3iam n SER 35 Ca 0.15 -3.79 -0.41 0.00 -0.26 0.00 0.00 58.87 54.55 3iam n SER 35 Cb 0.38 -0.89 -0.05 0.00 -0.26 0.00 0.00 64.21 63.39 3iam n SER 35 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3iam s LEU 36 N -3.84 4.08 -0.47 1.04 1.43 -1.25 -4.90 118.68 114.76 3iam s LEU 36 Ca 0.59 0.96 -0.01 0.00 -1.03 0.00 0.00 54.13 54.64 3iam s LEU 36 Cb 0.48 -3.10 0.13 0.00 0.03 0.00 0.00 46.19 43.72 3iam s LEU 36 CO -0.10 -0.47 0.25 0.86 0.23 0.00 0.00 176.35 177.12 3iam s TRP 37 N 2.73 3.52 -0.01 0.29 -0.00 -1.21 -5.05 118.94 119.21 3iam s TRP 37 Ca 0.33 -2.66 -0.30 0.00 -0.00 0.00 0.00 56.10 53.47 3iam s TRP 37 Cb -0.15 -3.14 -0.06 0.00 -0.00 0.00 0.00 33.47 30.12 3iam s TRP 37 CO 0.08 -0.91 1.57 -2.14 -0.00 0.00 0.00 176.95 175.54 3iam s PRO 38 N 0.62 4.21 -0.83 5.86 0.02 -1.25 -2.85 135.00 140.78 3iam s PRO 38 Ca 0.12 2.14 0.01 0.00 0.02 0.00 0.00 61.00 63.29 3iam s PRO 38 Cb -0.22 -3.77 0.25 0.00 0.02 0.00 0.00 34.50 30.79 3iam s PRO 38 CO -0.04 -0.74 0.94 0.00 -0.33 0.00 0.00 177.00 176.83 3iam n ALA 39 N 6.26 4.26 -1.56 -1.55 0.00 -0.24 -5.00 120.51 122.68 3iam n ALA 39 Ca 0.16 -4.72 -0.46 0.00 0.00 0.00 0.00 53.44 48.41 3iam n ALA 39 Cb 0.42 -1.51 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 3iam n ALA 39 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3iam n THR 40 N 1.43 1.74 -3.08 0.00 5.66 -1.26 -3.51 114.28 115.26 3iam n THR 40 Ca 0.26 -0.44 -0.23 0.00 -3.05 0.00 0.00 64.05 60.60 3iam n THR 40 Cb 0.37 -0.80 -0.04 0.00 -1.55 0.00 0.00 70.33 68.31 3iam n THR 40 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 3iam n PHE 41 N 0.47 2.12 -2.20 1.09 7.35 0.74 -4.86 117.46 122.17 3iam n PHE 41 Ca 0.12 -3.91 -0.38 0.00 -0.76 0.00 0.00 57.45 52.53 3iam n PHE 41 Cb 0.29 -0.46 -0.01 0.00 0.35 0.00 0.00 39.48 39.66 3iam n PHE 41 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3iam s GLY 42 N -2.88 2.81 0.00 7.13 0.00 -1.26 -3.68 107.32 109.45 3iam s GLY 42 Ca 0.44 1.00 0.00 0.00 0.00 0.00 0.00 44.72 46.16 3iam s GLY 42 CO -0.11 1.48 0.00 1.04 0.00 0.00 0.00 173.10 175.51 3iam n LEU 43 N -0.40 0.00 0.00 0.66 4.77 -0.32 -4.92 117.00 116.78 3iam n LEU 43 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3iam n LEU 43 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3iam n LEU 43 CO 0.49 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.55 3iam n ALA 44 N -1.83 0.00 -0.20 -1.18 0.00 -1.26 -4.79 120.51 111.24 3iam n ALA 44 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 3iam n ALA 44 Cb 0.00 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.73 3iam n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iam h ALA 47 N 1.22 2.51 0.02 0.00 0.00 0.17 -2.38 119.26 120.80 3iam h ALA 47 Ca 0.11 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.77 3iam h ALA 47 Cb 0.58 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3iam h ALA 47 CO 0.04 -0.67 -1.17 0.82 0.00 0.00 0.00 179.25 178.27 3iam h ILE 48 N 0.01 1.53 0.00 0.00 2.04 -1.61 -2.96 117.51 116.51 3iam h ILE 48 Ca 0.26 -3.23 -0.13 0.00 1.00 0.00 0.00 64.86 62.76 3iam h ILE 48 Cb 1.04 2.79 -0.02 0.00 -0.74 0.00 0.00 36.82 39.89 3iam h ILE 48 CO -0.01 0.89 -0.63 -0.08 0.00 0.00 0.00 178.15 178.33 3iam h GLU 49 N 0.01 0.00 0.00 2.37 4.57 -1.40 -3.26 114.58 116.88 3iam h GLU 49 Ca -0.08 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.88 3iam h GLU 49 Cb 1.85 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.41 3iam h GLU 49 CO 0.13 0.63 -1.09 1.98 -1.18 0.00 0.00 179.01 179.48 3iam h MET 50 N 0.00 0.00 0.00 1.92 4.05 -1.49 -2.85 114.93 116.55 3iam h MET 50 Ca -0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3iam h MET 50 Cb 1.24 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.04 3iam h MET 50 CO 0.08 0.91 0.00 -1.33 0.23 0.00 0.00 176.91 176.80 3iam n MET 51 N -3.30 0.48 -0.03 0.39 2.81 -1.12 0.19 117.12 116.53 3iam n MET 51 Ca -0.02 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.91 3iam n MET 51 Cb 0.95 -1.12 0.06 0.00 -0.71 0.00 0.00 33.22 32.39 3iam n MET 51 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3iam n ALA 52 N -0.62 2.40 -0.01 3.04 0.00 -1.08 -4.14 120.51 120.10 3iam n ALA 52 Ca 0.03 -0.70 -0.01 0.00 0.00 0.00 0.00 53.44 52.76 3iam n ALA 52 Cb 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 19.45 19.14 3iam n ALA 52 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3iam n SER 53 N 0.44 4.45 0.15 0.00 3.41 0.13 -4.46 113.62 117.74 3iam n SER 53 Ca 0.06 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.73 3iam n SER 53 Cb 0.26 0.63 0.05 0.00 -0.26 0.00 0.00 64.21 64.89 3iam n SER 53 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3iam h THR 54 N 0.00 0.51 -0.19 6.66 2.02 -1.50 -3.29 112.91 117.12 3iam h THR 54 Ca -0.05 -1.75 -0.21 0.00 0.77 0.00 0.00 66.41 65.16 3iam h THR 54 Cb 1.01 2.19 0.01 0.00 -1.74 0.00 0.00 68.15 69.62 3iam h THR 54 CO 0.00 0.29 -0.71 0.44 0.37 0.00 0.00 175.52 175.92 3iam h ASP 55 N 0.00 0.94 -0.81 4.18 5.19 -1.80 -3.51 116.42 120.61 3iam h ASP 55 Ca -0.02 -0.58 -0.54 0.00 -0.62 0.00 0.00 57.03 55.27 3iam h ASP 55 Cb 1.27 -0.27 -0.31 0.00 0.18 0.00 0.00 39.33 40.19 3iam h ASP 55 CO 0.04 1.38 0.14 0.00 -3.12 0.00 0.00 179.24 177.68 3iam n ALA 56 N -2.59 5.52 0.00 3.45 0.00 -1.24 -5.11 120.51 120.54 3iam n ALA 56 Ca -0.06 -3.48 0.00 0.00 0.00 0.00 0.00 53.44 49.89 3iam n ALA 56 Cb 0.71 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 19.06 3iam n ALA 56 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3iam n GLN 74 N -0.90 0.00 -5.26 0.00 -0.06 -1.26 -4.96 117.38 104.94 3iam n GLN 74 Ca 0.52 0.00 -0.31 0.00 -2.00 0.00 0.00 57.00 55.21 3iam n GLN 74 Cb 0.91 0.00 -0.16 0.00 -4.06 0.00 0.00 30.24 26.92 3iam n GLN 74 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3iam s ALA 75 N 0.00 2.12 -0.09 1.69 0.00 -1.26 -4.98 121.76 119.24 3iam s ALA 75 Ca 0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.90 3iam s ALA 75 Cb 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 3iam s ALA 75 CO 0.00 0.45 -0.05 0.16 0.00 0.00 0.00 175.76 176.32 3iam s ASP 76 N -0.32 4.82 0.00 0.00 -4.77 -1.13 -4.32 116.67 110.95 3iam s ASP 76 Ca 0.01 0.00 0.00 0.00 -3.30 0.00 0.00 52.55 49.27 3iam s ASP 76 Cb -0.12 -1.35 0.00 0.00 -1.09 0.00 0.00 42.92 40.36 3iam s ASP 76 CO 0.02 0.34 0.00 0.52 0.70 0.00 0.00 175.17 176.74 3iam n VAL 77 N 2.41 -2.45 -4.31 2.11 0.31 -1.22 -3.29 118.33 111.89 3iam n VAL 77 Ca -0.18 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.80 3iam n VAL 77 Cb 0.53 -3.07 -0.09 0.00 -0.91 0.00 0.00 33.84 30.30 3iam n VAL 77 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3iam s MET 78 N -0.73 3.01 -0.22 5.55 0.23 0.52 -1.08 119.30 126.58 3iam s MET 78 Ca 0.00 -0.40 -0.07 0.00 -1.03 0.00 0.00 55.69 54.20 3iam s MET 78 Cb 0.00 -2.82 -0.03 0.00 -1.53 0.00 0.00 34.83 30.45 3iam s MET 78 CO 0.00 0.70 0.05 0.42 -2.03 0.00 0.00 175.02 174.16 3iam s ILE 79 N -0.92 4.32 -0.46 3.16 1.01 -1.23 -1.02 121.20 126.06 3iam s ILE 79 Ca 0.14 -0.18 -0.16 0.00 0.00 0.00 0.00 60.65 60.44 3iam s ILE 79 Cb -0.11 -2.98 0.05 0.00 0.01 0.00 0.00 42.46 39.43 3iam s ILE 79 CO 0.03 0.39 0.43 -0.69 0.00 0.00 0.00 174.94 175.11 3iam s VAL 80 N 1.12 5.14 -0.44 2.92 1.01 0.35 -0.19 120.40 130.31 3iam s VAL 80 Ca 0.04 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 3iam s VAL 80 Cb -0.14 -4.11 0.12 0.00 0.00 0.00 0.00 36.38 32.25 3iam s VAL 80 CO 0.03 -0.54 0.24 0.00 0.00 0.00 0.00 175.10 174.82 3iam s ALA 81 N 1.95 3.22 0.00 5.51 0.00 -1.24 -0.75 121.76 130.45 3iam s ALA 81 Ca 0.08 -2.66 0.00 0.00 0.00 0.00 0.00 51.96 49.38 3iam s ALA 81 Cb -0.21 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.47 3iam s ALA 81 CO 0.10 -1.85 0.00 0.41 0.00 0.00 0.00 175.76 174.42 3iam n GLY 82 N 4.40 0.73 3.60 0.00 0.00 -1.24 -1.18 105.19 111.49 3iam n GLY 82 Ca -0.00 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 3iam n GLY 82 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3iam s ARG 83 N -1.30 3.40 -0.53 1.61 3.03 -1.26 -2.75 118.95 121.15 3iam s ARG 83 Ca 0.00 1.17 -0.29 0.00 2.03 0.00 0.00 55.73 58.64 3iam s ARG 83 Cb 0.00 -4.14 0.03 0.00 -1.03 0.00 0.00 34.95 29.81 3iam s ARG 83 CO 0.00 -1.78 1.19 -1.17 -1.13 0.00 0.00 175.30 172.40 3iam s LEU 84 N 6.39 3.53 0.74 -1.89 1.98 -1.26 -4.81 118.68 123.36 3iam s LEU 84 Ca 0.71 0.29 -0.12 0.00 -2.89 0.00 0.00 54.13 52.12 3iam s LEU 84 Cb -0.18 -3.34 0.04 0.00 0.66 0.00 0.00 46.19 43.37 3iam s LEU 84 CO 0.32 -1.40 1.11 -0.55 -1.89 0.00 0.00 176.35 173.95 3iam s SER 85 N 2.84 4.57 0.28 3.68 0.15 -1.26 -1.91 113.70 122.06 3iam s SER 85 Ca 0.46 1.95 0.12 0.00 0.70 0.00 0.00 55.95 59.19 3iam s SER 85 Cb -0.08 -2.54 0.37 0.00 -1.71 0.00 0.00 66.02 62.06 3iam s SER 85 CO 0.28 -1.99 1.60 0.11 1.20 0.00 0.00 173.24 174.45 3iam h LYS 86 N -0.71 0.00 -0.24 5.44 1.57 -1.41 -1.21 116.57 120.01 3iam h LYS 86 Ca -0.45 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.18 3iam h LYS 86 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 3iam h LYS 86 CO 0.51 0.59 -0.47 -0.22 -0.57 0.00 0.00 179.45 179.30 3iam h LYS 87 N 0.00 0.63 0.00 3.15 3.64 -1.93 -3.13 116.57 118.92 3iam h LYS 87 Ca -0.01 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3iam h LYS 87 Cb 1.12 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3iam h LYS 87 CO 0.08 0.96 -0.22 -0.12 -2.27 0.00 0.00 179.45 177.88 3iam n MET 88 N -4.00 0.18 0.08 1.90 1.56 -1.12 -4.30 117.12 111.41 3iam n MET 88 Ca -0.03 0.11 -0.12 0.00 -0.27 0.00 0.00 57.70 57.40 3iam n MET 88 Cb 0.56 -1.67 -0.05 0.00 2.15 0.00 0.00 33.22 34.21 3iam n MET 88 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3iam h ALA 89 N 2.68 -0.23 0.00 -5.12 0.00 -1.16 -2.43 119.26 113.00 3iam h ALA 89 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3iam h ALA 89 Cb 0.66 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3iam h ALA 89 CO 0.00 -0.66 -0.01 -1.00 0.00 0.00 0.00 179.25 177.57 3iam h PRO 90 N -0.29 0.00 0.06 0.00 0.13 -1.77 -2.69 132.00 127.44 3iam h PRO 90 Ca 0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3iam h PRO 90 Cb 0.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.45 3iam h PRO 90 CO -0.11 0.01 -0.03 0.28 -0.23 0.00 0.00 178.00 177.93 3iam h VAL 91 N 0.00 1.05 -0.34 1.56 2.07 -1.70 -2.80 116.25 116.09 3iam h VAL 91 Ca -0.00 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.23 3iam h VAL 91 Cb 0.02 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3iam h VAL 91 CO 0.00 0.09 0.23 -0.03 0.02 0.00 0.00 177.57 177.88 3iam h MET 92 N -0.23 0.25 0.43 1.57 -1.53 -1.27 -2.34 114.93 111.82 3iam h MET 92 Ca -0.01 -0.02 -0.01 0.00 -3.44 0.00 0.00 59.70 56.22 3iam h MET 92 Cb 0.20 -0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.18 3iam h MET 92 CO 0.01 0.17 -0.29 -0.09 0.14 0.00 0.00 176.91 176.85 3iam h ARG 93 N 0.26 -0.67 0.11 0.39 9.65 -1.29 -0.58 114.38 122.25 3iam h ARG 93 Ca 0.15 0.05 0.02 0.00 -1.10 0.00 0.00 59.98 59.09 3iam h ARG 93 Cb 0.25 0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.94 3iam h ARG 93 CO -0.03 -0.45 -0.29 0.00 2.80 0.00 0.00 179.97 182.00 3iam h ARG 94 N -0.70 -0.49 -0.94 0.20 3.08 -1.29 0.31 114.38 114.55 3iam h ARG 94 Ca -0.04 0.03 0.21 0.00 0.07 0.00 0.00 59.98 60.25 3iam h ARG 94 Cb 0.58 0.11 -0.12 0.00 0.08 0.00 0.00 29.97 30.63 3iam h ARG 94 CO 0.03 -0.33 0.51 0.28 -1.07 0.00 0.00 179.97 179.39 3iam h VAL 95 N -0.51 0.58 0.45 2.04 2.07 -1.37 -2.26 116.25 117.25 3iam h VAL 95 Ca 0.03 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 3iam h VAL 95 Cb 0.54 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3iam h VAL 95 CO -0.18 0.10 -0.22 -0.25 0.02 0.00 0.00 177.57 177.05 3iam h TRP 96 N 0.57 -0.56 -0.07 1.57 7.01 -0.40 -3.37 115.95 120.70 3iam h TRP 96 Ca 0.57 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.57 3iam h TRP 96 Cb 1.01 0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 28.25 3iam h TRP 96 CO -0.06 -0.24 -0.09 0.93 -2.79 0.00 0.00 178.44 176.19 3iam h GLU 97 N -0.98 -0.06 -5.37 2.65 5.08 -0.41 -3.28 114.58 112.22 3iam h GLU 97 Ca -0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3iam h GLU 97 Cb 0.57 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 3iam h GLU 97 CO 0.10 -0.04 0.07 -0.65 -1.00 0.00 0.00 179.01 177.49 3iam s GLN 98 N -3.42 1.64 -0.14 2.33 -0.21 -0.91 -4.77 119.66 114.18 3iam s GLN 98 Ca -0.02 0.40 -0.30 0.00 0.02 0.00 0.00 55.36 55.46 3iam s GLN 98 Cb 0.01 -4.81 0.12 0.00 1.00 0.00 0.00 33.01 29.33 3iam s GLN 98 CO 0.10 -4.43 0.94 1.41 -2.12 0.00 0.00 175.29 171.19 3iam s MET 99 N 8.76 0.68 0.84 2.91 1.75 -1.24 -4.86 119.30 128.15 3iam s MET 99 Ca 0.91 0.19 -0.16 0.00 -1.25 0.00 0.00 55.69 55.38 3iam s MET 99 Cb -0.12 0.32 -0.06 0.00 2.84 0.00 0.00 34.83 37.81 3iam s MET 99 CO 0.08 -0.21 0.06 -0.35 -0.65 0.00 0.00 175.02 173.94 3iam n PRO 100 N 0.82 0.01 0.13 4.11 -0.04 -1.26 -4.91 135.00 133.86 3iam n PRO 100 Ca -0.12 0.03 -0.23 0.00 -0.04 0.00 0.00 63.50 63.14 3iam n PRO 100 Cb 0.58 -1.52 -0.16 0.00 -0.04 0.00 0.00 33.50 32.36 3iam n PRO 100 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 3iam h ASP 101 N -0.86 0.75 -3.11 3.54 1.82 -1.96 -3.39 116.42 113.21 3iam h ASP 101 Ca -0.44 -0.83 -0.57 0.00 -0.39 0.00 0.00 57.03 54.80 3iam h ASP 101 Cb 1.33 -0.25 -0.05 0.00 0.68 0.00 0.00 39.33 41.05 3iam h ASP 101 CO 0.35 1.65 1.11 -2.84 -1.61 0.00 0.00 179.24 177.90 3iam s PRO 102 N -2.61 3.57 0.09 0.28 0.02 -1.26 -4.95 135.00 130.13 3iam s PRO 102 Ca -0.09 1.12 -0.11 0.00 0.02 0.00 0.00 61.00 61.95 3iam s PRO 102 Cb 0.05 -4.05 0.01 0.00 0.02 0.00 0.00 34.50 30.52 3iam s PRO 102 CO 0.93 -1.57 0.24 -1.59 -0.33 0.00 0.00 177.00 174.68 3iam s LYS 103 N 5.00 0.87 0.00 5.54 -2.85 -1.26 -4.71 119.74 122.34 3iam s LYS 103 Ca 0.65 -0.85 0.00 0.00 -1.00 0.00 0.00 55.97 54.78 3iam s LYS 103 Cb -0.17 0.36 -0.00 0.00 -2.06 0.00 0.00 37.83 35.97 3iam s LYS 103 CO 0.32 -0.29 -0.02 -1.58 0.10 0.00 0.00 175.35 173.88 3iam s TRP 104 N -3.64 0.15 -0.20 1.78 0.51 -1.26 -4.63 118.94 111.65 3iam s TRP 104 Ca 0.03 -0.05 -0.03 0.00 -2.12 0.00 0.00 56.10 53.92 3iam s TRP 104 Cb 0.03 -0.10 -0.01 0.00 -0.81 0.00 0.00 33.47 32.58 3iam s TRP 104 CO -0.10 -0.01 -0.05 0.08 -0.51 0.00 0.00 176.95 176.36 3iam s VAL 105 N -0.11 3.44 -0.14 4.03 1.01 -1.26 -0.35 120.40 127.00 3iam s VAL 105 Ca -0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 3iam s VAL 105 Cb -0.01 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 3iam s VAL 105 CO -0.00 0.45 0.19 -0.63 0.00 0.00 0.00 175.10 175.10 3iam s ILE 106 N 1.15 5.40 -0.46 2.22 1.01 -0.19 -0.80 121.20 129.53 3iam s ILE 106 Ca 0.02 0.32 -0.09 0.00 0.00 0.00 0.00 60.65 60.90 3iam s ILE 106 Cb -0.14 -3.49 0.11 0.00 0.01 0.00 0.00 42.46 38.94 3iam s ILE 106 CO -0.01 0.51 0.32 -0.55 0.00 0.00 0.00 174.94 175.22 3iam s SER 107 N -0.29 5.68 -0.12 3.58 0.15 0.49 -0.49 113.70 122.69 3iam s SER 107 Ca 0.14 -1.82 -0.17 0.00 0.70 0.00 0.00 55.95 54.80 3iam s SER 107 Cb -0.12 -2.00 -0.04 0.00 -1.71 0.00 0.00 66.02 62.14 3iam s SER 107 CO 0.03 -0.65 0.44 -0.32 1.20 0.00 0.00 173.24 173.93 3iam s MET 108 N 1.37 4.31 0.69 5.44 1.75 0.07 -0.18 119.30 132.76 3iam s MET 108 Ca 0.05 0.38 0.00 0.00 -1.25 0.00 0.00 55.69 54.87 3iam s MET 108 Cb -0.25 -3.43 0.00 0.00 2.84 0.00 0.00 34.83 33.99 3iam s MET 108 CO -0.00 0.19 0.00 0.41 -0.65 0.00 0.00 175.02 174.97 3iam n GLY 109 N 3.24 -2.17 0.09 2.11 0.00 0.66 -3.70 105.19 105.42 3iam n GLY 109 Ca -0.08 -1.51 -0.04 0.00 0.00 0.00 0.00 46.02 44.39 3iam n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iam h ALA 110 N 0.00 0.62 0.00 4.61 0.00 -1.59 -3.10 119.26 119.80 3iam h ALA 110 Ca 0.00 -0.98 -0.13 0.00 0.00 0.00 0.00 54.91 53.80 3iam h ALA 110 Cb 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3iam h ALA 110 CO 0.00 1.14 -0.62 0.00 0.00 0.00 0.00 179.25 179.78 3iam h ALA 112 N 1.38 0.21 -0.52 0.00 0.00 -1.66 -3.39 119.26 115.28 3iam h ALA 112 Ca -0.01 -1.08 0.02 0.00 0.00 0.00 0.00 54.91 53.84 3iam h ALA 112 Cb 1.33 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 19.64 3iam h ALA 112 CO 0.08 0.68 0.35 0.77 0.00 0.00 0.00 179.25 181.12 3iam h SER 113 N -0.71 0.56 -1.54 0.00 0.02 -1.58 0.05 113.55 110.36 3iam h SER 113 Ca -0.29 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.64 3iam h SER 113 Cb 1.45 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.85 3iam h SER 113 CO -0.08 0.40 0.00 -1.54 -1.14 0.00 0.00 176.83 174.48 3iam n SER 114 N -4.46 -0.13 0.00 3.07 3.41 -1.01 -4.50 113.62 110.00 3iam n SER 114 Ca 0.05 -1.14 0.01 0.00 -0.26 0.00 0.00 58.87 57.54 3iam n SER 114 Cb 0.09 0.23 0.07 0.00 -0.26 0.00 0.00 64.21 64.34 3iam n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iam n GLY 115 N -0.04 -0.24 7.00 5.00 0.00 -1.26 -3.80 105.19 111.84 3iam n GLY 115 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3iam n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iam n GLY 116 N -0.96 2.95 0.29 -0.02 0.00 -1.00 -1.51 105.19 104.93 3iam n GLY 116 Ca 0.02 -0.25 0.10 0.00 0.00 0.00 0.00 46.02 45.89 3iam n GLY 116 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3iam n MET 117 N 14.00 1.38 -3.42 1.61 0.00 -1.26 -4.50 117.12 124.92 3iam n MET 117 Ca 0.00 -0.57 -0.38 0.00 0.00 0.00 0.00 57.70 56.75 3iam n MET 117 Cb 0.00 -1.35 -0.04 0.00 0.00 0.00 0.00 33.22 31.83 3iam n MET 117 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 3iam n PHE 118 N -0.22 3.94 -3.14 3.17 3.72 -0.57 -4.97 117.46 119.40 3iam n PHE 118 Ca 0.15 -3.77 -0.45 0.00 -0.05 0.00 0.00 57.45 53.34 3iam n PHE 118 Cb 0.20 -1.19 -0.00 0.00 -0.94 0.00 0.00 39.48 37.55 3iam n PHE 118 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3iam s ASN 119 N -0.54 7.15 0.00 4.37 3.84 -1.26 -4.75 114.94 123.75 3iam s ASN 119 Ca 0.31 -3.20 0.00 0.00 0.21 0.00 0.00 52.86 50.17 3iam s ASN 119 Cb -0.02 -2.31 0.00 0.00 -0.55 0.00 0.00 41.25 38.37 3iam s ASN 119 CO -0.05 -0.55 0.00 -0.46 -2.79 0.00 0.00 177.10 173.24 3iam n ASN 120 N 4.31 0.00 0.29 -4.21 0.23 -1.26 -5.09 115.26 109.53 3iam n ASN 120 Ca 0.29 -0.66 -0.12 0.00 -0.53 0.00 0.00 54.58 53.56 3iam n ASN 120 Cb 0.42 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.06 3iam n ASN 120 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 3iam h TYR 121 N 0.66 -0.73 -0.99 -2.53 -0.00 -2.05 -3.34 116.97 107.99 3iam h TYR 121 Ca 0.00 -0.02 0.29 0.00 -0.00 0.00 0.00 58.73 59.00 3iam h TYR 121 Cb 0.00 0.24 -0.04 0.00 -0.00 0.00 0.00 36.73 36.93 3iam h TYR 121 CO 0.00 -0.45 0.94 0.00 -0.00 0.00 0.00 178.16 178.65 3iam h ALA 122 N -1.20 2.85 -3.37 0.10 0.00 -1.98 -3.43 119.26 112.23 3iam h ALA 122 Ca -0.08 -0.03 -0.62 0.00 0.00 0.00 0.00 54.91 54.17 3iam h ALA 122 Cb 0.61 0.07 -0.33 0.00 0.00 0.00 0.00 17.79 18.14 3iam h ALA 122 CO 0.13 -1.45 -0.86 0.42 0.00 0.00 0.00 179.25 177.50 3iam s ILE 123 N -4.63 1.73 0.01 0.00 1.01 -1.26 -1.02 121.20 117.03 3iam s ILE 123 Ca -0.04 -0.83 -0.32 0.00 0.00 0.00 0.00 60.65 59.46 3iam s ILE 123 Cb 0.18 -1.52 -0.11 0.00 0.01 0.00 0.00 42.46 41.02 3iam s ILE 123 CO 0.60 0.49 1.88 0.52 0.00 0.00 0.00 174.94 178.43 3iam n VAL 124 N 3.64 0.55 -2.84 2.92 0.31 -0.80 -4.75 118.33 117.36 3iam n VAL 124 Ca -0.20 -0.10 -0.43 0.00 -0.01 0.00 0.00 64.34 63.59 3iam n VAL 124 Cb 0.53 -2.02 -0.01 0.00 -0.91 0.00 0.00 33.84 31.42 3iam n VAL 124 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3iam s GLN 125 N 3.69 3.83 0.00 5.55 -1.52 -1.26 -4.21 119.66 125.75 3iam s GLN 125 Ca 0.89 -2.01 0.00 0.00 -1.95 0.00 0.00 55.36 52.29 3iam s GLN 125 Cb -0.58 -5.12 0.00 0.00 -0.22 0.00 0.00 33.01 27.09 3iam s GLN 125 CO 0.45 -1.90 0.00 -1.71 -0.25 0.00 0.00 175.29 171.89 3iam n ASN 126 N 6.79 -0.65 -0.07 5.90 2.85 -1.25 -4.45 115.26 124.38 3iam n ASN 126 Ca 0.33 0.00 0.21 0.00 -0.11 0.00 0.00 54.58 55.02 3iam n ASN 126 Cb 0.47 -0.33 0.67 0.00 1.24 0.00 0.00 39.78 41.83 3iam n ASN 126 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 3iam h VAL 127 N 0.00 0.70 -0.43 3.44 2.07 -1.22 0.14 116.25 120.96 3iam h VAL 127 Ca 0.00 -0.02 0.12 0.00 0.82 0.00 0.00 66.70 67.62 3iam h VAL 127 Cb 0.00 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3iam h VAL 127 CO 0.00 0.01 0.54 -0.78 0.02 0.00 0.00 177.57 177.37 3iam h ASP 128 N 0.07 0.00 -0.01 0.57 3.58 -1.81 0.64 116.42 119.46 3iam h ASP 128 Ca 0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.76 3iam h ASP 128 Cb 1.15 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.19 3iam h ASP 128 CO -0.02 0.00 0.13 0.28 -2.88 0.00 0.00 179.24 176.75 3iam h SER 129 N 0.00 0.00 0.00 2.28 0.02 -1.00 -3.30 113.55 111.55 3iam h SER 129 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3iam h SER 129 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 3iam h SER 129 CO -0.00 0.00 -0.88 1.33 -1.14 0.00 0.00 176.83 176.14 3iam n VAL 130 N -3.04 0.00 -4.44 2.27 0.24 0.21 -5.07 118.33 108.50 3iam n VAL 130 Ca -0.02 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.07 3iam n VAL 130 Cb 0.19 -0.70 -0.15 0.00 -1.47 0.00 0.00 33.84 31.71 3iam n VAL 130 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3iam s VAL 131 N -1.91 0.84 0.00 3.34 -7.23 -0.53 -4.99 120.40 109.93 3iam s VAL 131 Ca 0.00 -0.41 -0.32 0.00 -1.81 0.00 0.00 61.98 59.44 3iam s VAL 131 Cb 0.00 -0.74 -0.10 0.00 0.56 0.00 0.00 36.38 36.10 3iam s VAL 131 CO 0.00 0.26 1.91 -2.65 -0.31 0.00 0.00 175.10 174.30 3iam n PRO 132 N 3.17 2.57 -3.60 4.82 -0.02 -1.26 -3.83 135.00 136.84 3iam n PRO 132 Ca -0.17 0.94 -0.35 0.00 -2.02 0.00 0.00 63.50 61.90 3iam n PRO 132 Cb 0.55 -2.84 -0.05 0.00 -0.02 0.00 0.00 33.50 31.13 3iam n PRO 132 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3iam s VAL 133 N 3.97 5.12 -0.07 -1.45 1.01 -1.26 -4.23 120.40 123.48 3iam s VAL 133 Ca 0.89 0.44 0.12 0.00 0.00 0.00 0.00 61.98 63.44 3iam s VAL 133 Cb -0.55 -3.64 -0.18 0.00 0.00 0.00 0.00 36.38 32.01 3iam s VAL 133 CO 0.45 0.33 0.16 0.47 0.00 0.00 0.00 175.10 176.51 3iam n ASP 134 N 1.02 1.96 -3.71 3.32 8.00 0.02 -4.90 116.55 122.26 3iam n ASP 134 Ca -0.09 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.30 3iam n ASP 134 Cb 0.52 1.19 -0.11 0.00 -0.02 0.00 0.00 41.12 42.70 3iam n ASP 134 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iam s VAL 135 N -2.60 -0.02 -0.11 2.53 1.01 -1.20 -4.97 120.40 115.03 3iam s VAL 135 Ca -0.05 0.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 3iam s VAL 135 Cb 0.06 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 3iam s VAL 135 CO 0.53 0.03 0.04 -0.31 0.00 0.00 0.00 175.10 175.39 3iam s TYR 136 N 1.10 3.27 -0.27 5.22 1.51 -1.26 -0.38 117.35 126.53 3iam s TYR 136 Ca -0.07 0.22 0.01 0.00 -1.01 0.00 0.00 57.07 56.22 3iam s TYR 136 Cb -0.08 -1.88 0.08 0.00 -0.11 0.00 0.00 41.96 39.97 3iam s TYR 136 CO -0.09 0.44 -0.00 0.54 -1.11 0.00 0.00 175.55 175.33 3iam s VAL 137 N -0.61 1.61 0.63 0.71 0.11 0.75 -4.95 120.40 118.65 3iam s VAL 137 Ca 0.11 -1.53 -0.17 0.00 -2.93 0.00 0.00 61.98 57.46 3iam s VAL 137 Cb -0.12 -2.00 -0.02 0.00 -1.53 0.00 0.00 36.38 32.71 3iam s VAL 137 CO 0.02 -0.32 1.13 -2.16 -3.33 0.00 0.00 175.10 170.45 3iam s PRO 138 N 1.31 2.92 0.00 1.54 0.04 -1.26 -0.25 135.00 139.29 3iam s PRO 138 Ca 0.01 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.56 3iam s PRO 138 Cb -0.19 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3iam s PRO 138 CO -0.10 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.17 3iam n GLY 139 N -0.18 4.25 2.65 0.56 0.00 -1.26 -4.54 105.19 106.67 3iam n GLY 139 Ca 0.11 -1.56 -0.15 0.00 0.00 0.00 0.00 46.02 44.42 3iam n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iam s PRO 141 N 0.75 4.24 0.47 0.00 0.04 -1.26 -5.07 135.00 134.17 3iam s PRO 141 Ca 0.27 1.05 -0.24 0.00 0.04 0.00 0.00 61.00 62.13 3iam s PRO 141 Cb -0.02 -2.36 -0.07 0.00 0.04 0.00 0.00 34.50 32.08 3iam s PRO 141 CO -0.10 0.08 1.28 -1.25 0.04 0.00 0.00 177.00 177.05 3iam s PRO 142 N -2.90 3.65 0.63 0.56 0.04 -1.25 -4.92 135.00 130.81 3iam s PRO 142 Ca 0.58 2.07 -0.18 0.00 0.04 0.00 0.00 61.00 63.51 3iam s PRO 142 Cb -0.11 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 3iam s PRO 142 CO 0.16 -0.73 0.85 -2.13 0.04 0.00 0.00 177.00 175.19 3iam n ARG 143 N -0.42 0.71 -0.22 4.56 0.63 -1.26 -4.79 116.66 115.87 3iam n ARG 143 Ca 0.07 0.28 0.03 0.00 -0.92 0.00 0.00 57.85 57.31 3iam n ARG 143 Cb 0.45 -2.07 0.14 0.00 0.45 0.00 0.00 32.46 31.43 3iam n ARG 143 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 3iam h PRO 144 N 0.24 0.21 0.00 -0.14 0.11 -1.91 0.20 132.00 130.71 3iam h PRO 144 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3iam h PRO 144 Cb 1.37 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3iam h PRO 144 CO 0.49 0.14 0.00 0.93 -0.21 0.00 0.00 178.00 179.35 3iam h GLU 145 N 0.22 0.00 0.57 1.05 3.07 -1.95 -2.16 114.58 115.38 3iam h GLU 145 Ca 0.36 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.19 3iam h GLU 145 Cb 0.59 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.50 3iam h GLU 145 CO -0.49 0.00 -0.27 0.00 -1.40 0.00 0.00 179.01 176.85 3iam h ALA 146 N 2.17 -0.76 0.00 3.43 0.00 -1.28 -2.73 119.26 120.08 3iam h ALA 146 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3iam h ALA 146 Cb 0.46 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3iam h ALA 146 CO 0.00 -0.82 0.36 1.25 0.00 0.00 0.00 179.25 180.03 3iam h LEU 147 N -0.96 0.00 -0.03 0.00 7.12 -1.25 0.58 115.31 120.77 3iam h LEU 147 Ca -0.08 0.00 -0.09 0.00 0.13 0.00 0.00 57.88 57.84 3iam h LEU 147 Cb 0.64 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.78 3iam h LEU 147 CO 0.13 0.00 -0.35 0.40 -0.13 0.00 0.00 178.44 178.49 3iam h ILE 148 N 0.00 1.46 -0.08 4.05 5.03 -1.37 -2.95 117.51 123.66 3iam h ILE 148 Ca 0.00 -1.86 -0.05 0.00 -0.12 0.00 0.00 64.86 62.83 3iam h ILE 148 Cb 0.72 2.52 -0.01 0.00 -3.03 0.00 0.00 36.82 37.02 3iam h ILE 148 CO 0.00 0.53 -0.18 0.22 -0.68 0.00 0.00 178.15 178.03 3iam h TYR 149 N -0.26 0.13 -0.67 1.37 -0.00 0.32 -0.39 116.97 117.47 3iam h TYR 149 Ca -0.03 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.73 58.66 3iam h TYR 149 Cb 1.04 -0.04 -0.03 0.00 -0.00 0.00 0.00 36.73 37.71 3iam h TYR 149 CO 0.15 0.31 0.33 0.00 -0.00 0.00 0.00 178.16 178.95 3iam h ALA 150 N 1.70 0.86 0.17 1.82 0.00 -0.88 0.43 119.26 123.37 3iam h ALA 150 Ca 0.02 -0.13 -0.32 0.00 0.00 0.00 0.00 54.91 54.48 3iam h ALA 150 Cb 0.40 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.93 3iam h ALA 150 CO 0.03 0.42 -1.52 -0.39 0.00 0.00 0.00 179.25 177.79 3iam h VAL 151 N 0.93 1.20 -0.69 0.00 -1.51 -1.30 -2.36 116.25 112.51 3iam h VAL 151 Ca 0.23 -2.76 0.19 0.00 -1.23 0.00 0.00 66.70 63.13 3iam h VAL 151 Cb 0.10 2.87 -0.03 0.00 -2.13 0.00 0.00 31.29 32.10 3iam h VAL 151 CO -0.03 0.84 0.49 0.24 -1.23 0.00 0.00 177.57 177.88 3iam h MET 152 N 0.10 0.09 0.07 5.19 2.07 -0.86 0.81 114.93 122.39 3iam h MET 152 Ca -0.25 -0.01 -0.11 0.00 -2.07 0.00 0.00 59.70 57.26 3iam h MET 152 Cb 2.07 -0.02 0.01 0.00 -1.87 0.00 0.00 31.60 31.79 3iam h MET 152 CO 0.20 0.06 -0.49 0.37 1.07 0.00 0.00 176.91 178.13 3iam h GLN 153 N 0.09 0.21 0.00 1.72 5.75 -0.88 -2.96 115.11 119.05 3iam h GLN 153 Ca 0.33 -0.32 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 3iam h GLN 153 Cb 1.20 0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.86 3iam h GLN 153 CO -0.03 1.11 0.16 1.25 -2.65 0.00 0.00 178.83 178.67 3iam h LEU 154 N -0.53 0.00 0.17 -2.39 5.85 -0.63 -1.49 115.31 116.30 3iam h LEU 154 Ca -0.08 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3iam h LEU 154 Cb 1.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.37 3iam h LEU 154 CO 0.09 0.00 -0.08 1.56 -0.34 0.00 0.00 178.44 179.67 3iam h GLN 155 N 0.00 -0.23 0.00 1.25 4.20 -0.79 -2.48 115.11 117.06 3iam h GLN 155 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3iam h GLN 155 Cb 0.33 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3iam h GLN 155 CO 0.00 -0.15 0.32 1.63 -0.67 0.00 0.00 178.83 179.96 3iam n LYS 156 N -4.27 0.06 -0.05 1.46 5.02 -0.65 -1.36 118.16 118.37 3iam n LYS 156 Ca -0.03 0.49 -0.22 0.00 -2.02 0.00 0.00 58.31 56.54 3iam n LYS 156 Cb 0.09 -2.03 -0.13 0.00 -0.02 0.00 0.00 35.03 32.94 3iam n LYS 156 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3iam n LYS 157 N -1.85 0.68 0.24 1.97 4.81 -0.68 -0.85 118.16 122.48 3iam n LYS 157 Ca -0.01 0.36 0.15 0.00 -0.87 0.00 0.00 58.31 57.94 3iam n LYS 157 Cb 0.34 -1.69 0.51 0.00 0.02 0.00 0.00 35.03 34.21 3iam n LYS 157 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 3iam h VAL 158 N -0.36 0.00 0.00 3.15 -1.51 -0.73 -1.02 116.25 115.77 3iam h VAL 158 Ca -0.43 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 64.40 3iam h VAL 158 Cb 1.76 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 32.53 3iam h VAL 158 CO -0.06 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.82 3iam n ARG 159 N -3.01 0.19 -3.15 5.19 1.74 -0.52 -4.62 116.66 112.49 3iam n ARG 159 Ca 0.02 0.35 -0.15 0.00 -0.77 0.00 0.00 57.85 57.30 3iam n ARG 159 Cb 0.37 -1.82 0.05 0.00 -1.02 0.00 0.00 32.46 30.05 3iam n ARG 159 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iam n GLY 160 N 0.36 -0.04 0.03 -0.13 0.00 -0.39 -4.85 105.19 100.17 3iam n GLY 160 Ca 0.03 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 45.99 3iam n GLY 160 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3iam n GLN 161 N -3.36 1.80 -4.80 1.61 7.27 -0.03 -4.93 117.38 114.94 3iam n GLN 161 Ca -0.04 -1.29 -0.33 0.00 0.07 0.00 0.00 57.00 55.41 3iam n GLN 161 Cb 0.56 -0.88 -0.12 0.00 2.41 0.00 0.00 30.24 32.21 3iam n GLN 161 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3iam s ALA 162 N -0.84 2.77 0.21 1.69 0.00 -0.52 -4.90 121.76 120.17 3iam s ALA 162 Ca 0.03 -0.95 0.09 0.00 0.00 0.00 0.00 51.96 51.13 3iam s ALA 162 Cb 0.03 -1.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.05 3iam s ALA 162 CO 0.00 0.56 -0.18 0.71 0.00 0.00 0.00 175.76 176.86 3iam s TYR 163 N -0.76 1.93 0.70 0.00 1.51 -1.26 -1.09 117.35 118.38 3iam s TYR 163 Ca 0.12 -0.46 -0.03 0.00 -1.01 0.00 0.00 57.07 55.68 3iam s TYR 163 Cb -0.11 -0.91 0.09 0.00 -0.11 0.00 0.00 41.96 40.93 3iam s TYR 163 CO 0.01 0.44 0.98 0.54 -1.11 0.00 0.00 175.55 176.41 3iam s ASN 164 N -3.06 4.57 0.51 2.29 2.20 -1.05 -4.94 114.94 115.47 3iam s ASN 164 Ca 0.21 -0.01 0.34 0.00 -0.94 0.00 0.00 52.86 52.47 3iam s ASN 164 Cb -0.04 -0.53 1.68 0.00 -2.00 0.00 0.00 41.25 40.36 3iam s ASN 164 CO 0.09 -1.70 2.04 -0.33 -2.94 0.00 0.00 177.10 174.25 3iam h GLU 165 N -0.51 0.00 -0.01 3.55 4.39 -2.02 -0.44 114.58 119.55 3iam h GLU 165 Ca -0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.29 3iam h GLU 165 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 3iam h GLU 165 CO 0.48 0.00 -0.00 0.54 -1.16 0.00 0.00 179.01 178.87 3iam n ARG 166 N -2.82 1.30 -0.89 2.33 1.74 -1.26 -4.91 116.66 112.15 3iam n ARG 166 Ca -0.01 -0.44 0.00 0.00 -0.77 0.00 0.00 57.85 56.63 3iam n ARG 166 Cb 0.16 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 3iam n ARG 166 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iam n GLY 167 N 1.08 0.51 3.95 -0.13 0.00 -0.17 -5.05 105.19 105.37 3iam n GLY 167 Ca 0.22 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 3iam n GLY 167 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iam s GLU 168 N -0.80 2.52 -0.20 1.61 2.02 -1.26 -4.88 118.70 117.71 3iam s GLU 168 Ca 0.00 -0.44 -0.12 0.00 0.02 0.00 0.00 54.97 54.43 3iam s GLU 168 Cb 0.00 -2.34 -0.05 0.00 0.10 0.00 0.00 34.13 31.84 3iam s GLU 168 CO 0.00 -0.86 0.22 0.50 0.02 0.00 0.00 175.26 175.13 3iam s ARG 169 N -4.96 4.17 0.12 1.61 3.52 -1.26 -2.52 118.95 119.63 3iam s ARG 169 Ca 0.57 -0.10 -0.25 0.00 -0.13 0.00 0.00 55.73 55.82 3iam s ARG 169 Cb -0.10 -3.47 -0.07 0.00 -1.56 0.00 0.00 34.95 29.74 3iam s ARG 169 CO 0.42 0.16 0.76 -0.51 -0.81 0.00 0.00 175.30 175.32 3iam s LEU 170 N 0.73 4.54 0.18 -0.88 1.43 -0.25 -4.97 118.68 119.47 3iam s LEU 170 Ca 0.12 1.55 -0.32 0.00 -1.03 0.00 0.00 54.13 54.45 3iam s LEU 170 Cb -0.13 -3.24 -0.11 0.00 0.03 0.00 0.00 46.19 42.73 3iam s LEU 170 CO 0.03 0.15 1.73 -2.16 0.23 0.00 0.00 176.35 176.33 3iam s PRO 171 N -0.78 4.14 0.66 1.29 0.04 -1.26 -4.75 135.00 134.34 3iam s PRO 171 Ca 0.36 2.58 0.43 0.00 0.04 0.00 0.00 61.00 64.41 3iam s PRO 171 Cb -0.22 -3.22 2.32 0.00 0.04 0.00 0.00 34.50 33.42 3iam s PRO 171 CO 0.25 -0.76 2.30 -1.35 0.04 0.00 0.00 177.00 177.48 3iam h PRO 172 N 7.27 0.00 -3.11 0.56 0.11 -1.90 -3.42 132.00 131.51 3iam h PRO 172 Ca -0.44 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.50 3iam h PRO 172 Cb 1.20 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.05 3iam h PRO 172 CO 0.95 0.00 -0.44 0.08 -0.21 0.00 0.00 178.00 178.38 3iam s VAL 173 N -4.13 -0.01 -0.90 3.15 1.01 -1.26 -4.19 120.40 114.08 3iam s VAL 173 Ca -0.05 0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.72 3iam s VAL 173 Cb 0.12 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 3iam s VAL 173 CO 0.39 0.01 1.86 0.00 0.00 0.00 0.00 175.10 177.36 3iam s ALA 174 N 0.37 1.87 0.00 5.51 0.00 -1.26 -5.14 121.76 123.11 3iam s ALA 174 Ca -0.02 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.39 3iam s ALA 174 Cb -0.04 -4.53 0.00 0.00 0.00 0.00 0.00 23.12 18.56 3iam s ALA 174 CO -0.02 -4.55 0.00 0.00 0.00 0.00 0.00 175.76 171.19