#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ias h ARG 16 N 0.00 0.52 -0.06 3.49 1.12 -2.03 -1.80 114.38 115.62 3ias h ARG 16 Ca 0.00 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 3ias h ARG 16 Cb 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 29.84 3ias h ARG 16 CO 0.00 0.35 0.00 -1.91 -3.11 0.00 0.00 179.97 175.30 3ias n GLU 17 N -4.49 2.21 -0.73 0.20 4.07 -1.26 -4.42 120.64 116.23 3ias n GLU 17 Ca 0.12 -1.77 -0.28 0.00 -0.06 0.00 0.00 57.16 55.17 3ias n GLU 17 Cb 0.39 -1.47 0.24 0.00 -0.06 0.00 0.00 31.44 30.54 3ias n GLU 17 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 3ias s GLY 18 N -1.95 1.54 0.09 8.31 0.00 -0.68 -4.81 107.32 109.83 3ias s GLY 18 Ca 0.31 -0.26 -0.20 0.00 0.00 0.00 0.00 44.72 44.57 3ias s GLY 18 CO 0.31 0.45 1.59 -2.22 0.00 0.00 0.00 173.10 173.24 3ias h ILE 19 N -2.47 1.19 -0.70 0.90 2.04 -1.93 -2.30 117.51 114.24 3ias h ILE 19 Ca -0.60 -0.60 0.13 0.00 1.00 0.00 0.00 64.86 64.79 3ias h ILE 19 Cb 1.34 1.21 -0.09 0.00 -0.74 0.00 0.00 36.82 38.54 3ias h ILE 19 CO 0.53 0.19 0.22 0.25 0.00 0.00 0.00 178.15 179.34 3ias h LEU 20 N 0.14 0.14 -0.02 1.44 5.85 -1.92 0.20 115.31 121.14 3ias h LEU 20 Ca 0.06 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 3ias h LEU 20 Cb 0.23 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.39 3ias h LEU 20 CO -0.00 0.05 -0.24 0.15 -0.34 0.00 0.00 178.44 178.06 3ias h PHE 21 N 0.35 0.29 0.36 1.25 3.57 -1.78 -3.10 116.94 117.88 3ias h PHE 21 Ca 0.38 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 3ias h PHE 21 Cb 0.58 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 3ias h PHE 21 CO -0.21 0.90 -0.45 1.15 -2.23 0.00 0.00 178.31 177.47 3ias h THR 22 N -0.39 0.11 -0.15 4.41 2.02 -0.76 -0.55 112.91 117.60 3ias h THR 22 Ca -0.02 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.20 3ias h THR 22 Cb 0.94 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3ias h THR 22 CO 0.05 0.00 0.11 0.74 0.37 0.00 0.00 175.52 176.79 3ias h THR 23 N -0.85 0.92 0.69 3.16 2.02 -0.78 0.48 112.91 118.57 3ias h THR 23 Ca -0.03 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 3ias h THR 23 Cb 0.77 0.92 0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3ias h THR 23 CO -0.12 0.00 -0.33 -0.07 0.37 0.00 0.00 175.52 175.37 3ias h LEU 24 N 0.00 -0.79 -2.48 2.58 4.07 -1.36 -2.14 115.31 115.19 3ias h LEU 24 Ca 0.07 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.06 3ias h LEU 24 Cb 0.29 0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.24 3ias h LEU 24 CO -0.00 -0.52 0.00 1.05 -1.08 0.00 0.00 178.44 177.89 3ias h GLU 25 N -1.02 0.00 0.00 1.13 4.11 -0.22 0.36 114.58 118.94 3ias h GLU 25 Ca -0.10 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.25 3ias h GLU 25 Cb 0.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3ias h GLU 25 CO 0.16 0.00 -0.46 0.87 0.07 0.00 0.00 179.01 179.65 3ias h LYS 26 N 0.00 0.00 0.19 1.06 1.57 -0.07 -1.71 116.57 117.61 3ias h LYS 26 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 3ias h LYS 26 Cb 0.16 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.49 3ias h LYS 26 CO 0.00 0.40 -1.55 -0.07 -0.57 0.00 0.00 179.45 177.65 3ias h LEU 27 N 0.00 0.64 0.20 2.94 4.07 -0.10 -2.93 115.31 120.13 3ias h LEU 27 Ca -0.01 -0.92 0.01 0.00 0.08 0.00 0.00 57.88 57.03 3ias h LEU 27 Cb 1.32 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 42.83 3ias h LEU 27 CO 0.05 1.71 -0.26 0.58 -1.08 0.00 0.00 178.44 179.45 3ias h VAL 28 N 0.02 0.44 0.28 1.22 2.07 -0.46 -0.41 116.25 119.41 3ias h VAL 28 Ca -0.30 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3ias h VAL 28 Cb 2.03 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 3ias h VAL 28 CO 0.19 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.49 3ias h ALA 29 N 0.18 -0.60 -1.22 1.67 0.00 -1.46 0.07 119.26 117.89 3ias h ALA 29 Ca 0.01 -0.09 0.36 0.00 0.00 0.00 0.00 54.91 55.18 3ias h ALA 29 Cb 0.50 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 3ias h ALA 29 CO -0.10 -0.87 0.91 2.35 0.00 0.00 0.00 179.25 181.54 3ias h TRP 30 N -0.60 0.00 0.00 0.00 2.91 -1.40 0.11 115.95 116.97 3ias h TRP 30 Ca -0.01 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.01 3ias h TRP 30 Cb 0.55 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.20 3ias h TRP 30 CO -0.18 0.00 0.00 0.41 -1.03 0.00 0.00 178.44 177.64 3ias n GLY 31 N -1.77 -1.89 0.00 2.65 0.00 -0.03 -3.17 105.19 100.98 3ias n GLY 31 Ca 0.26 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.36 3ias n GLY 31 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3ias n ARG 32 N -1.92 0.50 0.09 1.61 1.85 -0.95 -0.83 116.66 117.00 3ias n ARG 32 Ca 0.00 0.00 0.08 0.00 -1.00 0.00 0.00 57.85 56.93 3ias n ARG 32 Cb 0.00 -1.49 0.38 0.00 -1.05 0.00 0.00 32.46 30.30 3ias n ARG 32 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3ias n SER 33 N -0.99 0.36 0.00 2.89 2.88 0.36 -3.36 113.62 115.76 3ias n SER 33 Ca 0.12 0.63 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 3ias n SER 33 Cb 0.05 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 3ias n SER 33 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3ias n ASN 34 N -1.94 4.11 -0.93 -3.46 4.13 -0.01 -4.61 115.26 112.54 3ias n ASN 34 Ca 0.01 0.00 -0.00 0.00 1.68 0.00 0.00 54.58 56.27 3ias n ASN 34 Cb 0.11 0.73 0.00 0.00 -1.54 0.00 0.00 39.78 39.08 3ias n ASN 34 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3ias n SER 35 N -1.35 2.68 -4.68 6.41 3.41 -1.17 -4.87 113.62 114.04 3ias n SER 35 Ca 0.00 -2.02 -0.42 0.00 -0.26 0.00 0.00 58.87 56.16 3ias n SER 35 Cb 0.10 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.51 3ias n SER 35 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ias s LEU 36 N -0.05 4.30 -0.74 1.04 1.43 -1.23 -4.94 118.68 118.50 3ias s LEU 36 Ca 0.01 2.10 0.02 0.00 -1.03 0.00 0.00 54.13 55.22 3ias s LEU 36 Cb 0.01 -3.55 0.18 0.00 0.03 0.00 0.00 46.19 42.85 3ias s LEU 36 CO 0.00 -0.76 0.55 0.86 0.23 0.00 0.00 176.35 177.24 3ias s TRP 37 N 2.75 3.62 -0.51 0.29 -0.00 -1.26 -5.05 118.94 118.77 3ias s TRP 37 Ca 0.64 -3.15 -0.34 0.00 -0.00 0.00 0.00 56.10 53.25 3ias s TRP 37 Cb -0.31 -2.95 -0.14 0.00 -0.00 0.00 0.00 33.47 30.07 3ias s TRP 37 CO 0.26 -0.66 2.32 -2.30 -0.00 0.00 0.00 176.95 176.56 3ias n PRO 38 N 2.39 0.74 -3.58 5.86 -0.02 -1.26 -3.48 135.00 135.65 3ias n PRO 38 Ca 0.17 0.15 -0.38 0.00 -2.02 0.00 0.00 63.50 61.43 3ias n PRO 38 Cb 0.36 -2.33 -0.05 0.00 -0.02 0.00 0.00 33.50 31.45 3ias n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ias s ALA 39 N 8.30 4.31 0.47 3.55 0.00 -0.56 -5.01 121.76 132.82 3ias s ALA 39 Ca 1.14 -3.81 -0.22 0.00 0.00 0.00 0.00 51.96 49.06 3ias s ALA 39 Cb -0.90 -2.96 -0.09 0.00 0.00 0.00 0.00 23.12 19.17 3ias s ALA 39 CO 0.47 -2.16 0.90 -2.37 0.00 0.00 0.00 175.76 172.61 3ias n THR 40 N 2.46 2.62 -3.19 0.00 5.66 -1.26 -3.27 114.28 117.29 3ias n THR 40 Ca 0.21 -0.50 -0.23 0.00 -3.05 0.00 0.00 64.05 60.49 3ias n THR 40 Cb 0.38 -1.05 -0.06 0.00 -1.55 0.00 0.00 70.33 68.05 3ias n THR 40 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 3ias n PHE 41 N -0.91 -0.11 -2.51 1.09 7.35 -0.27 -4.82 117.46 117.28 3ias n PHE 41 Ca 0.11 -3.64 -0.34 0.00 -0.76 0.00 0.00 57.45 52.82 3ias n PHE 41 Cb 0.42 -0.37 -0.03 0.00 0.35 0.00 0.00 39.48 39.84 3ias n PHE 41 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3ias s GLY 42 N -1.53 2.41 0.00 7.13 0.00 -1.26 -3.41 107.32 110.66 3ias s GLY 42 Ca 0.36 0.52 0.00 0.00 0.00 0.00 0.00 44.72 45.60 3ias s GLY 42 CO -0.10 0.82 0.00 1.04 0.00 0.00 0.00 173.10 174.86 3ias n LEU 43 N -1.10 0.00 0.00 0.66 4.77 0.09 -4.92 117.00 116.50 3ias n LEU 43 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3ias n LEU 43 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3ias n LEU 43 CO 0.41 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.47 3ias n ALA 44 N -2.69 0.00 0.05 -1.18 0.00 -1.25 -4.64 120.51 110.80 3ias n ALA 44 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3ias n ALA 44 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.72 3ias n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ias h ALA 47 N 1.90 2.02 0.00 0.00 0.00 -1.37 -2.34 119.26 119.46 3ias h ALA 47 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ias h ALA 47 Cb 0.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ias h ALA 47 CO 0.01 -0.17 -0.73 -0.89 0.00 0.00 0.00 179.25 177.48 3ias n ILE 48 N -4.32 0.21 0.44 0.00 5.41 -0.77 -3.59 119.36 116.72 3ias n ILE 48 Ca 0.00 -0.20 0.11 0.00 1.00 0.00 0.00 62.75 63.67 3ias n ILE 48 Cb 0.22 0.08 -0.06 0.00 -0.71 0.00 0.00 39.64 39.17 3ias n ILE 48 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3ias n GLU 49 N -1.91 0.37 0.12 0.38 4.07 -0.91 -3.97 120.64 118.79 3ias n GLU 49 Ca 0.03 -0.05 0.05 0.00 -0.06 0.00 0.00 57.16 57.13 3ias n GLU 49 Cb 0.41 -1.57 0.02 0.00 -0.06 0.00 0.00 31.44 30.24 3ias n GLU 49 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 3ias h MET 50 N 0.00 0.00 0.00 5.31 4.05 -1.59 -3.23 114.93 119.48 3ias h MET 50 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3ias h MET 50 Cb 0.79 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.59 3ias h MET 50 CO 0.00 0.27 0.00 -1.33 0.23 0.00 0.00 176.91 176.08 3ias n MET 51 N -3.03 0.40 -0.10 0.39 2.81 -1.24 -2.10 117.12 114.25 3ias n MET 51 Ca -0.01 0.06 0.11 0.00 -1.81 0.00 0.00 57.70 56.05 3ias n MET 51 Cb 0.69 -1.50 0.15 0.00 -0.71 0.00 0.00 33.22 31.85 3ias n MET 51 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3ias n ALA 52 N -1.22 2.43 -0.03 3.04 0.00 -1.22 -3.55 120.51 119.96 3ias n ALA 52 Ca 0.12 -0.85 -0.03 0.00 0.00 0.00 0.00 53.44 52.68 3ias n ALA 52 Cb 0.15 -0.75 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 3ias n ALA 52 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ias n SER 53 N 1.26 3.71 0.10 0.00 3.41 -0.89 -4.28 113.62 116.92 3ias n SER 53 Ca 0.15 -0.02 0.13 0.00 -0.26 0.00 0.00 58.87 58.87 3ias n SER 53 Cb 0.54 0.22 0.45 0.00 -0.26 0.00 0.00 64.21 65.16 3ias n SER 53 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3ias n THR 54 N -2.45 0.62 -0.03 6.66 -1.04 -0.98 -3.01 114.28 114.05 3ias n THR 54 Ca -0.09 -0.10 -0.10 0.00 -2.04 0.00 0.00 64.05 61.73 3ias n THR 54 Cb 0.62 -0.75 -0.14 0.00 -1.82 0.00 0.00 70.33 68.24 3ias n THR 54 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3ias n ASP 55 N -2.16 0.85 -0.31 8.00 8.00 -1.23 -4.15 116.55 125.55 3ias n ASP 55 Ca 0.05 0.35 0.17 0.00 0.71 0.00 0.00 54.79 56.06 3ias n ASP 55 Cb 0.36 0.01 0.42 0.00 -0.02 0.00 0.00 41.12 41.89 3ias n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ias h ALA 56 N 0.93 1.95 -3.00 2.24 0.00 -1.72 -3.51 119.26 116.16 3ias h ALA 56 Ca -0.33 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3ias h ALA 56 Cb 2.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.78 3ias h ALA 56 CO 0.07 -0.29 0.00 2.89 0.00 0.00 0.00 179.25 181.92 3ias n ARG 57 N -4.64 0.00 0.00 0.00 -4.01 -1.25 -5.12 116.66 101.63 3ias n ARG 57 Ca 0.22 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.03 3ias n ARG 57 Cb 0.66 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 30.08 3ias n ARG 57 CO 0.00 0.00 0.00 1.04 -3.04 0.00 0.00 177.63 175.63 3ias n GLN 74 N 0.00 0.00 -4.45 2.89 1.13 -1.26 -5.13 117.38 110.57 3ias n GLN 74 Ca 0.00 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.86 3ias n GLN 74 Cb 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.21 3ias n GLN 74 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ias s ALA 75 N 0.00 0.94 0.55 -1.58 0.00 -1.26 -4.97 121.76 115.45 3ias s ALA 75 Ca 0.00 -0.54 0.08 0.00 0.00 0.00 0.00 51.96 51.50 3ias s ALA 75 Cb 0.00 -0.22 0.06 0.00 0.00 0.00 0.00 23.12 22.97 3ias s ALA 75 CO 0.00 0.22 0.61 0.16 0.00 0.00 0.00 175.76 176.74 3ias s ASP 76 N -0.44 4.90 -0.41 0.00 -4.77 -1.23 -4.39 116.67 110.33 3ias s ASP 76 Ca 0.03 -1.02 -0.17 0.00 -3.30 0.00 0.00 52.55 48.10 3ias s ASP 76 Cb -0.05 0.32 0.02 0.00 -1.09 0.00 0.00 42.92 42.12 3ias s ASP 76 CO -0.00 -1.21 0.54 0.52 0.70 0.00 0.00 175.17 175.71 3ias n VAL 77 N -2.01-10.26 -3.23 2.11 0.31 -1.21 -3.86 118.33 100.18 3ias n VAL 77 Ca 0.08 0.90 -0.39 0.00 -0.01 0.00 0.00 64.34 64.92 3ias n VAL 77 Cb 0.63 -6.78 -0.06 0.00 -0.91 0.00 0.00 33.84 26.72 3ias n VAL 77 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ias s MET 78 N -2.47 4.27 -0.33 5.55 0.23 -0.35 -1.49 119.30 124.72 3ias s MET 78 Ca 0.24 0.73 -0.08 0.00 -1.03 0.00 0.00 55.69 55.55 3ias s MET 78 Cb -0.06 -3.31 0.02 0.00 -1.53 0.00 0.00 34.83 29.96 3ias s MET 78 CO 0.77 0.46 0.12 0.42 -2.03 0.00 0.00 175.02 174.77 3ias s ILE 79 N -0.50 4.09 -0.43 3.16 1.01 -1.20 -2.62 121.20 124.70 3ias s ILE 79 Ca 0.30 -0.86 -0.27 0.00 0.00 0.00 0.00 60.65 59.82 3ias s ILE 79 Cb -0.19 -3.22 0.02 0.00 0.01 0.00 0.00 42.46 39.09 3ias s ILE 79 CO 0.18 -0.08 1.03 -0.69 0.00 0.00 0.00 174.94 175.37 3ias s VAL 80 N 1.49 4.40 -0.52 2.92 1.01 -0.55 -1.11 120.40 128.03 3ias s VAL 80 Ca 0.01 1.15 0.04 0.00 0.00 0.00 0.00 61.98 63.18 3ias s VAL 80 Cb -0.18 -4.48 0.14 0.00 0.00 0.00 0.00 36.38 31.86 3ias s VAL 80 CO 0.04 -0.79 0.28 0.00 0.00 0.00 0.00 175.10 174.63 3ias s ALA 81 N 3.95 3.02 0.00 5.51 0.00 -1.22 0.13 121.76 133.14 3ias s ALA 81 Ca 0.42 -3.14 0.00 0.00 0.00 0.00 0.00 51.96 49.24 3ias s ALA 81 Cb -0.10 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 20.95 3ias s ALA 81 CO 0.25 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.38 3ias n GLY 82 N 3.08 0.99 3.65 0.00 0.00 -1.24 -0.73 105.19 110.93 3ias n GLY 82 Ca 0.08 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 3ias n GLY 82 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ias s ARG 83 N -1.05 4.02 -0.63 1.61 3.03 -1.26 -3.47 118.95 121.19 3ias s ARG 83 Ca 0.00 2.08 -0.21 0.00 2.03 0.00 0.00 55.73 59.62 3ias s ARG 83 Cb 0.00 -4.04 0.08 0.00 -1.03 0.00 0.00 34.95 29.96 3ias s ARG 83 CO 0.00 -1.05 0.88 -1.17 -1.13 0.00 0.00 175.30 172.83 3ias s LEU 84 N 4.63 4.68 0.94 -1.89 1.98 -1.26 -4.72 118.68 123.03 3ias s LEU 84 Ca 0.76 -1.08 -0.11 0.00 -2.89 0.00 0.00 54.13 50.81 3ias s LEU 84 Cb -0.32 -2.41 0.16 0.00 0.66 0.00 0.00 46.19 44.28 3ias s LEU 84 CO 0.31 -1.32 1.11 -0.55 -1.89 0.00 0.00 176.35 174.01 3ias s SER 85 N 3.59 2.82 0.31 3.68 0.15 -1.26 -2.36 113.70 120.62 3ias s SER 85 Ca 0.19 1.94 0.13 0.00 0.70 0.00 0.00 55.95 58.91 3ias s SER 85 Cb -0.19 -2.47 0.48 0.00 -1.71 0.00 0.00 66.02 62.12 3ias s SER 85 CO 0.10 -3.12 1.66 0.11 1.20 0.00 0.00 173.24 173.19 3ias h LYS 86 N -1.88 0.00 -0.27 5.44 1.57 -1.85 -2.12 116.57 117.46 3ias h LYS 86 Ca -0.47 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.23 3ias h LYS 86 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 3ias h LYS 86 CO 0.46 0.53 -0.13 -0.22 -0.57 0.00 0.00 179.45 179.52 3ias h LYS 87 N 0.00 0.57 0.00 3.15 3.64 -1.91 -3.04 116.57 118.99 3ias h LYS 87 Ca -0.01 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3ias h LYS 87 Cb 1.00 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 3ias h LYS 87 CO 0.07 0.81 0.00 1.98 -2.27 0.00 0.00 179.45 180.04 3ias h MET 88 N 0.31 0.00 0.65 1.90 4.05 -1.89 -3.35 114.93 116.59 3ias h MET 88 Ca 0.06 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.45 3ias h MET 88 Cb 0.64 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.44 3ias h MET 88 CO 0.04 0.00 -0.40 0.00 0.23 0.00 0.00 176.91 176.78 3ias h ALA 89 N 2.01 -1.21 0.00 0.39 0.00 -1.25 -1.83 119.26 117.38 3ias h ALA 89 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3ias h ALA 89 Cb 0.47 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3ias h ALA 89 CO 0.00 -1.17 0.02 -0.35 0.00 0.00 0.00 179.25 177.75 3ias n PRO 90 N -4.93 0.06 -0.07 0.00 -0.04 -1.26 -1.46 135.00 127.30 3ias n PRO 90 Ca -0.12 0.55 -0.11 0.00 -0.04 0.00 0.00 63.50 63.78 3ias n PRO 90 Cb 0.41 -1.72 -0.08 0.00 -0.04 0.00 0.00 33.50 32.07 3ias n PRO 90 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3ias h VAL 91 N 0.00 0.83 -0.25 0.52 2.07 -1.59 -3.18 116.25 114.65 3ias h VAL 91 Ca 0.00 -1.75 0.07 0.00 0.82 0.00 0.00 66.70 65.84 3ias h VAL 91 Cb 0.04 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3ias h VAL 91 CO 0.00 0.28 0.18 -0.03 0.02 0.00 0.00 177.57 178.02 3ias h MET 92 N -1.00 0.00 0.11 1.57 1.85 -0.63 -2.07 114.93 114.76 3ias h MET 92 Ca -0.09 -0.00 0.02 0.00 -0.61 0.00 0.00 59.70 59.02 3ias h MET 92 Cb 0.76 -0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.75 3ias h MET 92 CO -0.06 0.00 -0.33 -0.09 -0.40 0.00 0.00 176.91 176.03 3ias h ARG 93 N 0.00 -0.53 -0.71 0.39 9.65 -1.35 -1.97 114.38 119.86 3ias h ARG 93 Ca 0.12 0.04 0.05 0.00 -1.10 0.00 0.00 59.98 59.08 3ias h ARG 93 Cb 0.48 0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 29.12 3ias h ARG 93 CO -0.00 -0.35 0.42 0.00 2.80 0.00 0.00 179.97 182.84 3ias h ARG 94 N -0.55 0.77 -0.71 0.20 3.08 -1.36 -1.77 114.38 114.04 3ias h ARG 94 Ca 0.03 -0.05 0.08 0.00 0.07 0.00 0.00 59.98 60.12 3ias h ARG 94 Cb 0.59 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.42 3ias h ARG 94 CO -0.20 0.51 0.47 0.28 -1.07 0.00 0.00 179.97 179.95 3ias h VAL 95 N 0.79 0.96 0.04 2.04 2.07 -1.23 -1.93 116.25 119.00 3ias h VAL 95 Ca 0.31 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 3ias h VAL 95 Cb 0.13 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3ias h VAL 95 CO -0.16 0.12 -0.02 -0.25 0.02 0.00 0.00 177.57 177.28 3ias h TRP 96 N 0.66 -0.06 -0.28 1.57 7.01 -0.62 -3.33 115.95 120.91 3ias h TRP 96 Ca 0.32 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.38 3ias h TRP 96 Cb 0.39 0.02 -0.08 0.00 -2.10 0.00 0.00 29.16 27.39 3ias h TRP 96 CO -0.00 0.55 -0.40 0.93 -2.79 0.00 0.00 178.44 176.73 3ias h GLU 97 N -0.73 -0.37 -3.81 2.65 5.08 -1.10 -3.07 114.58 113.24 3ias h GLU 97 Ca -0.01 0.03 -0.70 0.00 -1.00 0.00 0.00 59.36 57.68 3ias h GLU 97 Cb 0.63 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 3ias h GLU 97 CO 0.01 -0.25 3.27 1.04 -1.00 0.00 0.00 179.01 182.09 3ias n GLN 98 N -5.42 3.00 -4.15 2.33 6.02 -0.75 -4.80 117.38 113.61 3ias n GLN 98 Ca -0.02 -2.51 -0.10 0.00 -0.01 0.00 0.00 57.00 54.36 3ias n GLN 98 Cb 0.35 -3.19 -0.10 0.00 1.02 0.00 0.00 30.24 28.33 3ias n GLN 98 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 3ias s MET 99 N 3.02 1.03 1.25 -1.09 1.75 -1.16 -4.91 119.30 119.19 3ias s MET 99 Ca 0.52 -1.48 -0.19 0.00 -1.25 0.00 0.00 55.69 53.29 3ias s MET 99 Cb 0.15 0.26 0.28 0.00 2.84 0.00 0.00 34.83 38.36 3ias s MET 99 CO -0.08 -0.31 0.62 -0.35 -0.65 0.00 0.00 175.02 174.25 3ias n PRO 100 N -0.16 -3.51 -0.01 4.11 -0.04 -1.26 -4.99 135.00 129.14 3ias n PRO 100 Ca -0.03 -1.04 -0.21 0.00 -0.04 0.00 0.00 63.50 62.18 3ias n PRO 100 Cb 0.64 -1.74 -0.14 0.00 -0.04 0.00 0.00 33.50 32.23 3ias n PRO 100 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3ias n ASP 101 N -3.66 2.10 -4.56 3.54 -0.08 -1.26 -4.54 116.55 108.09 3ias n ASP 101 Ca 0.09 0.22 -0.35 0.00 -1.51 0.00 0.00 54.79 53.24 3ias n ASP 101 Cb 0.49 -0.86 -0.04 0.00 2.34 0.00 0.00 41.12 43.05 3ias n ASP 101 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 3ias s PRO 102 N -2.54 2.96 0.07 -0.67 0.02 -1.26 -4.91 135.00 128.67 3ias s PRO 102 Ca -0.23 -0.41 -0.02 0.00 0.02 0.00 0.00 61.00 60.35 3ias s PRO 102 Cb 0.07 -4.96 -0.04 0.00 0.02 0.00 0.00 34.50 29.59 3ias s PRO 102 CO 0.75 -2.78 0.01 -1.59 -0.33 0.00 0.00 177.00 173.06 3ias s LYS 103 N 6.23 0.70 0.05 5.54 -2.85 -1.26 -4.72 119.74 123.44 3ias s LYS 103 Ca 0.58 -1.23 -0.05 0.00 -1.00 0.00 0.00 55.97 54.27 3ias s LYS 103 Cb -0.06 0.23 -0.01 0.00 -2.06 0.00 0.00 37.83 35.93 3ias s LYS 103 CO 0.01 -0.16 0.09 -1.58 0.10 0.00 0.00 175.35 173.82 3ias s TRP 104 N -3.94 0.26 -0.22 1.78 0.51 -1.26 -4.54 118.94 111.53 3ias s TRP 104 Ca 0.10 -0.65 -0.01 0.00 -2.12 0.00 0.00 56.10 53.43 3ias s TRP 104 Cb 0.07 -0.17 0.06 0.00 -0.81 0.00 0.00 33.47 32.62 3ias s TRP 104 CO -0.08 -0.42 -0.02 0.08 -0.51 0.00 0.00 176.95 176.00 3ias s VAL 105 N -3.22 1.18 0.15 4.03 1.01 -1.26 -1.21 120.40 121.08 3ias s VAL 105 Ca 0.00 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 60.84 3ias s VAL 105 Cb 0.02 -1.53 -0.07 0.00 0.00 0.00 0.00 36.38 34.81 3ias s VAL 105 CO -0.07 -0.13 0.59 -0.63 0.00 0.00 0.00 175.10 174.85 3ias s ILE 106 N 1.56 4.78 -0.17 2.22 1.01 -1.08 -0.45 121.20 129.07 3ias s ILE 106 Ca -0.04 0.98 -0.01 0.00 0.00 0.00 0.00 60.65 61.58 3ias s ILE 106 Cb -0.18 -3.79 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 3ias s ILE 106 CO -0.07 0.28 -0.11 -0.94 0.00 0.00 0.00 174.94 174.10 3ias s SER 107 N -1.61 3.96 -0.33 3.58 1.04 -0.26 -1.49 113.70 118.59 3ias s SER 107 Ca 0.38 -0.40 -0.14 0.00 0.48 0.00 0.00 55.95 56.27 3ias s SER 107 Cb -0.16 -1.63 -0.02 0.00 0.10 0.00 0.00 66.02 64.31 3ias s SER 107 CO 0.19 0.08 0.31 -0.32 0.98 0.00 0.00 173.24 174.49 3ias s MET 108 N 0.84 3.59 0.20 4.02 1.75 0.35 -0.95 119.30 129.11 3ias s MET 108 Ca -0.04 -0.46 0.00 0.00 -1.25 0.00 0.00 55.69 53.94 3ias s MET 108 Cb -0.15 -3.79 0.00 0.00 2.84 0.00 0.00 34.83 33.73 3ias s MET 108 CO 0.00 -0.46 0.00 0.41 -0.65 0.00 0.00 175.02 174.33 3ias n GLY 109 N 5.00 -2.09 0.35 2.11 0.00 0.49 -3.66 105.19 107.40 3ias n GLY 109 Ca -0.11 -1.36 -0.12 0.00 0.00 0.00 0.00 46.02 44.43 3ias n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias h ALA 110 N -0.59 -0.47 -0.82 4.61 0.00 -1.63 0.50 119.26 120.86 3ias h ALA 110 Ca 0.01 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3ias h ALA 110 Cb 0.56 0.64 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 3ias h ALA 110 CO 0.00 -0.85 0.51 0.00 0.00 0.00 0.00 179.25 178.91 3ias h ALA 112 N 1.37 -0.51 -0.03 0.00 0.00 -1.56 -3.40 119.26 115.13 3ias h ALA 112 Ca 0.34 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.22 3ias h ALA 112 Cb 0.11 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3ias h ALA 112 CO -0.15 -0.49 -0.18 0.77 0.00 0.00 0.00 179.25 179.20 3ias h SER 113 N -0.40 -0.55 -3.03 0.00 0.02 -0.81 -2.49 113.55 106.29 3ias h SER 113 Ca -0.02 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3ias h SER 113 Cb 0.16 0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3ias h SER 113 CO 0.04 -0.16 0.00 -1.54 -1.14 0.00 0.00 176.83 174.03 3ias n SER 114 N -3.48 0.30 0.00 3.07 3.41 0.79 -4.11 113.62 113.60 3ias n SER 114 Ca -0.02 -0.59 0.05 0.00 -0.26 0.00 0.00 58.87 58.05 3ias n SER 114 Cb 0.12 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.40 3ias n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ias n GLY 115 N 5.00 -0.68 7.00 5.00 0.00 0.47 -4.15 105.19 117.82 3ias n GLY 115 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3ias n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ias n GLY 116 N 0.27 2.21 0.86 -0.02 0.00 -1.00 -2.77 105.19 104.75 3ias n GLY 116 Ca 0.08 -0.50 0.08 0.00 0.00 0.00 0.00 46.02 45.69 3ias n GLY 116 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3ias n MET 117 N 10.36 2.26 -3.68 1.61 0.00 -1.26 -4.72 117.12 121.70 3ias n MET 117 Ca 0.00 -2.03 -0.37 0.00 0.00 0.00 0.00 57.70 55.30 3ias n MET 117 Cb 0.00 -1.38 -0.09 0.00 0.00 0.00 0.00 33.22 31.76 3ias n MET 117 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3ias s PHE 118 N -1.15 3.46 -1.04 3.17 0.08 -1.11 -4.98 117.98 116.41 3ias s PHE 118 Ca 0.29 -2.70 -0.02 0.00 0.12 0.00 0.00 56.93 54.63 3ias s PHE 118 Cb 0.17 -3.25 0.31 0.00 -0.57 0.00 0.00 43.02 39.68 3ias s PHE 118 CO 0.23 -0.84 1.65 -1.71 -0.10 0.00 0.00 175.22 174.45 3ias n ASN 119 N 3.39 6.86 -1.05 1.36 2.85 -1.26 -4.76 115.26 122.65 3ias n ASN 119 Ca 0.10 -3.57 0.00 0.00 -0.11 0.00 0.00 54.58 51.00 3ias n ASN 119 Cb 0.38 -1.20 0.00 0.00 1.24 0.00 0.00 39.78 40.21 3ias n ASN 119 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 3ias n ASN 120 N 0.55 0.16 0.21 1.20 0.23 -1.26 -5.05 115.26 111.31 3ias n ASN 120 Ca 0.37 -0.97 0.05 0.00 -0.53 0.00 0.00 54.58 53.50 3ias n ASN 120 Cb 0.30 0.00 0.48 0.00 -2.08 0.00 0.00 39.78 38.47 3ias n ASN 120 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 3ias h TYR 121 N 0.97 0.00 0.00 -2.53 -0.00 -2.04 -3.30 116.97 110.07 3ias h TYR 121 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3ias h TYR 121 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 3ias h TYR 121 CO 0.00 0.25 -0.13 0.00 -0.00 0.00 0.00 178.16 178.29 3ias h ALA 122 N 1.75 0.92 -3.13 0.10 0.00 -1.96 -3.46 119.26 113.48 3ias h ALA 122 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 3ias h ALA 122 Cb 0.48 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.07 3ias h ALA 122 CO 0.03 0.00 -0.75 0.42 0.00 0.00 0.00 179.25 178.95 3ias s ILE 123 N -3.14 0.91 0.08 0.00 1.01 -1.24 -2.84 121.20 115.98 3ias s ILE 123 Ca 0.09 -1.36 -0.28 0.00 0.00 0.00 0.00 60.65 59.11 3ias s ILE 123 Cb 0.11 -1.05 -0.06 0.00 0.01 0.00 0.00 42.46 41.48 3ias s ILE 123 CO 0.64 -0.37 0.87 -0.69 0.00 0.00 0.00 174.94 175.38 3ias s VAL 124 N -1.67 4.61 -1.69 2.92 1.01 -1.00 -4.70 120.40 119.89 3ias s VAL 124 Ca -0.02 1.86 0.28 0.00 0.00 0.00 0.00 61.98 64.10 3ias s VAL 124 Cb -0.08 -4.22 0.40 0.00 0.00 0.00 0.00 36.38 32.48 3ias s VAL 124 CO 0.01 0.34 1.78 0.00 0.00 0.00 0.00 175.10 177.23 3ias n GLN 125 N 2.81 0.74 -3.64 2.72 1.13 -1.26 -4.56 117.38 115.31 3ias n GLN 125 Ca 0.00 -0.31 -0.07 0.00 -1.94 0.00 0.00 57.00 54.68 3ias n GLN 125 Cb 0.50 -1.49 -0.07 0.00 0.11 0.00 0.00 30.24 29.28 3ias n GLN 125 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3ias s ASN 126 N -2.48 -0.66 0.62 1.08 3.84 -1.26 -0.40 114.94 115.69 3ias s ASN 126 Ca 0.28 1.11 0.40 0.00 0.21 0.00 0.00 52.86 54.86 3ias s ASN 126 Cb 0.20 1.22 2.03 0.00 -0.55 0.00 0.00 41.25 44.15 3ias s ASN 126 CO 0.49 -0.18 2.23 0.58 -2.79 0.00 0.00 177.10 177.43 3ias h VAL 127 N 4.57 0.05 0.00 -5.21 2.07 -1.59 -0.50 116.25 115.64 3ias h VAL 127 Ca -0.29 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3ias h VAL 127 Cb 1.20 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3ias h VAL 127 CO 0.15 0.01 0.00 -0.67 0.02 0.00 0.00 177.57 177.08 3ias n ASP 128 N -3.14 0.08 0.18 0.57 2.03 -1.21 -1.05 116.55 114.00 3ias n ASP 128 Ca -0.02 0.53 0.04 0.00 0.52 0.00 0.00 54.79 55.87 3ias n ASP 128 Cb 0.15 -0.54 0.29 0.00 -0.72 0.00 0.00 41.12 40.30 3ias n ASP 128 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3ias h SER 129 N 0.00 0.00 0.00 1.67 0.02 -1.50 -3.38 113.55 110.36 3ias h SER 129 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3ias h SER 129 Cb 0.05 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 3ias h SER 129 CO 0.00 0.43 -1.11 1.33 -1.14 0.00 0.00 176.83 176.33 3ias n VAL 130 N -3.58 0.12 -4.28 2.27 0.24 -0.42 -5.05 118.33 107.63 3ias n VAL 130 Ca -0.00 -0.05 -0.18 0.00 -2.04 0.00 0.00 64.34 62.07 3ias n VAL 130 Cb 0.54 -0.66 -0.14 0.00 -1.47 0.00 0.00 33.84 32.11 3ias n VAL 130 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3ias s VAL 131 N -2.04 0.78 -0.02 3.34 -7.23 -0.22 -4.95 120.40 110.07 3ias s VAL 131 Ca -0.02 -0.72 -0.30 0.00 -1.81 0.00 0.00 61.98 59.13 3ias s VAL 131 Cb 0.01 -0.71 -0.06 0.00 0.56 0.00 0.00 36.38 36.18 3ias s VAL 131 CO 0.05 0.01 1.55 -2.84 -0.31 0.00 0.00 175.10 173.56 3ias s PRO 132 N -0.79 4.22 -0.14 4.82 0.02 -1.26 -3.31 135.00 138.55 3ias s PRO 132 Ca -0.00 2.12 -0.14 0.00 0.02 0.00 0.00 61.00 63.00 3ias s PRO 132 Cb -0.06 -3.76 -0.05 0.00 0.02 0.00 0.00 34.50 30.65 3ias s PRO 132 CO 0.00 -0.73 0.33 0.08 -0.33 0.00 0.00 177.00 176.35 3ias s VAL 133 N 3.19 5.27 -0.21 3.83 1.01 -1.26 -4.18 120.40 128.06 3ias s VAL 133 Ca 0.69 0.62 0.06 0.00 0.00 0.00 0.00 61.98 63.36 3ias s VAL 133 Cb -0.33 -3.66 -0.21 0.00 0.00 0.00 0.00 36.38 32.18 3ias s VAL 133 CO 0.28 0.41 0.00 0.47 0.00 0.00 0.00 175.10 176.26 3ias n ASP 134 N 3.35 1.40 -3.98 3.32 8.00 0.40 -4.93 116.55 124.11 3ias n ASP 134 Ca -0.12 -0.01 -0.17 0.00 0.71 0.00 0.00 54.79 55.20 3ias n ASP 134 Cb 0.52 -0.08 -0.15 0.00 -0.02 0.00 0.00 41.12 41.40 3ias n ASP 134 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ias s VAL 135 N -2.52 0.54 -0.06 2.53 1.01 -1.17 -4.98 120.40 115.74 3ias s VAL 135 Ca -0.24 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 3ias s VAL 135 Cb 0.08 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 3ias s VAL 135 CO 0.70 0.16 0.09 -0.31 0.00 0.00 0.00 175.10 175.74 3ias s TYR 136 N -0.12 3.37 -0.29 5.22 1.51 -1.26 -1.10 117.35 124.68 3ias s TYR 136 Ca 0.02 0.31 0.01 0.00 -1.01 0.00 0.00 57.07 56.40 3ias s TYR 136 Cb -0.03 -1.82 0.09 0.00 -0.11 0.00 0.00 41.96 40.09 3ias s TYR 136 CO -0.00 0.59 0.04 0.54 -1.11 0.00 0.00 175.55 175.61 3ias s VAL 137 N -1.08 1.47 0.82 0.71 0.11 -0.12 -4.93 120.40 117.38 3ias s VAL 137 Ca 0.19 -1.61 -0.12 0.00 -2.93 0.00 0.00 61.98 57.51 3ias s VAL 137 Cb -0.12 -1.99 0.09 0.00 -1.53 0.00 0.00 36.38 32.83 3ias s VAL 137 CO 0.09 -0.48 1.15 -2.16 -3.33 0.00 0.00 175.10 170.38 3ias s PRO 138 N 1.35 1.67 0.00 1.54 0.04 -1.26 -0.38 135.00 137.95 3ias s PRO 138 Ca 0.05 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.63 3ias s PRO 138 Cb -0.18 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.56 3ias s PRO 138 CO -0.14 -2.15 0.00 0.41 0.04 0.00 0.00 177.00 175.16 3ias n GLY 139 N -0.03 2.94 2.99 0.56 0.00 -1.26 -4.53 105.19 105.86 3ias n GLY 139 Ca 0.12 -1.98 0.01 0.00 0.00 0.00 0.00 46.02 44.17 3ias n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias s PRO 141 N 1.74 3.98 0.31 0.00 0.04 -1.26 -5.07 135.00 134.75 3ias s PRO 141 Ca 0.17 0.98 -0.29 0.00 0.04 0.00 0.00 61.00 61.90 3ias s PRO 141 Cb -0.00 -2.14 -0.12 0.00 0.04 0.00 0.00 34.50 32.27 3ias s PRO 141 CO -0.10 -0.24 1.40 -0.35 0.04 0.00 0.00 177.00 177.75 3ias n PRO 142 N -1.44 2.27 -1.43 0.56 -0.04 -1.25 -4.91 135.00 128.76 3ias n PRO 142 Ca 0.07 0.80 -0.38 0.00 -0.04 0.00 0.00 63.50 63.95 3ias n PRO 142 Cb 0.54 -2.46 0.04 0.00 -0.04 0.00 0.00 33.50 31.58 3ias n PRO 142 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3ias n ARG 143 N 1.25 0.46 -0.16 0.54 0.63 -1.26 -4.80 116.66 113.32 3ias n ARG 143 Ca 0.07 0.18 -0.07 0.00 -0.92 0.00 0.00 57.85 57.11 3ias n ARG 143 Cb 0.35 -1.67 0.01 0.00 0.45 0.00 0.00 32.46 31.60 3ias n ARG 143 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 3ias h PRO 144 N 0.15 0.62 -0.03 -0.14 0.11 -1.91 -1.64 132.00 129.16 3ias h PRO 144 Ca -0.45 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.62 3ias h PRO 144 Cb 1.40 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3ias h PRO 144 CO 0.46 0.43 0.14 0.93 -0.21 0.00 0.00 178.00 179.75 3ias h GLU 145 N 0.63 0.00 0.00 1.05 3.07 -1.93 0.58 114.58 117.97 3ias h GLU 145 Ca 0.17 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.83 3ias h GLU 145 Cb -0.05 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.83 3ias h GLU 145 CO -0.03 0.00 -1.15 0.00 -1.40 0.00 0.00 179.01 176.43 3ias h ALA 146 N 1.76 0.58 -0.07 3.43 0.00 -1.64 -2.85 119.26 120.47 3ias h ALA 146 Ca 0.02 -0.94 -0.10 0.00 0.00 0.00 0.00 54.91 53.88 3ias h ALA 146 Cb 0.29 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3ias h ALA 146 CO -0.00 1.14 -0.43 1.25 0.00 0.00 0.00 179.25 181.21 3ias h LEU 147 N 0.00 0.16 0.43 0.00 7.12 -0.57 -0.61 115.31 121.84 3ias h LEU 147 Ca -0.11 -0.07 -0.02 0.00 0.13 0.00 0.00 57.88 57.82 3ias h LEU 147 Cb 1.72 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.80 3ias h LEU 147 CO 0.09 0.58 -0.24 0.40 -0.13 0.00 0.00 178.44 179.13 3ias h ILE 148 N 0.13 0.00 -1.05 4.05 5.03 -1.43 -2.48 117.51 121.75 3ias h ILE 148 Ca 0.01 0.00 0.30 0.00 -0.12 0.00 0.00 64.86 65.05 3ias h ILE 148 Cb 0.82 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 34.56 3ias h ILE 148 CO 0.06 0.00 0.75 0.22 -0.68 0.00 0.00 178.15 178.50 3ias h TYR 149 N -0.63 0.08 -0.33 1.37 5.03 -1.43 -1.05 116.97 120.02 3ias h TYR 149 Ca -0.06 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.17 3ias h TYR 149 Cb 0.49 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.74 3ias h TYR 149 CO 0.05 0.01 -0.13 0.00 -1.32 0.00 0.00 178.16 176.77 3ias h ALA 150 N 1.49 0.45 0.00 1.82 0.00 -0.84 -2.07 119.26 120.12 3ias h ALA 150 Ca 0.51 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 3ias h ALA 150 Cb 1.94 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 3ias h ALA 150 CO -0.04 0.34 -0.63 -0.39 0.00 0.00 0.00 179.25 178.52 3ias h VAL 151 N 0.43 1.35 -0.96 0.00 -1.51 -0.77 -2.41 116.25 112.38 3ias h VAL 151 Ca 0.08 -2.24 0.10 0.00 -1.23 0.00 0.00 66.70 63.40 3ias h VAL 151 Cb 0.65 2.25 -0.08 0.00 -2.13 0.00 0.00 31.29 31.97 3ias h VAL 151 CO 0.04 0.62 0.60 0.24 -1.23 0.00 0.00 177.57 177.84 3ias h MET 152 N 0.00 0.97 0.06 5.19 2.07 -1.12 0.99 114.93 123.09 3ias h MET 152 Ca -0.01 -0.06 -0.00 0.00 -2.07 0.00 0.00 59.70 57.56 3ias h MET 152 Cb 1.19 -0.22 0.00 0.00 -1.87 0.00 0.00 31.60 30.71 3ias h MET 152 CO 0.08 0.64 -0.03 0.37 1.07 0.00 0.00 176.91 179.04 3ias h GLN 153 N 1.00 -0.08 -0.23 1.72 5.75 -1.10 0.08 115.11 122.24 3ias h GLN 153 Ca 0.45 0.01 0.06 0.00 -0.15 0.00 0.00 58.65 59.02 3ias h GLN 153 Cb 0.37 0.02 -0.07 0.00 1.07 0.00 0.00 27.48 28.86 3ias h GLN 153 CO -0.23 0.15 -0.28 1.25 -2.65 0.00 0.00 178.83 177.07 3ias h LEU 154 N -0.31 -0.88 -0.20 -2.39 5.85 -0.77 -2.31 115.31 114.30 3ias h LEU 154 Ca -0.01 0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.88 3ias h LEU 154 Cb 0.27 0.40 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 3ias h LEU 154 CO 0.01 -0.31 -0.24 -0.61 -0.34 0.00 0.00 178.44 176.95 3ias h GLN 155 N -0.29 -0.15 -0.33 1.25 4.15 0.10 -1.06 115.11 118.78 3ias h GLN 155 Ca 0.13 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.56 3ias h GLN 155 Cb 0.50 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.22 3ias h GLN 155 CO -0.40 -0.10 0.00 1.63 -1.93 0.00 0.00 178.83 178.03 3ias n LYS 156 N -3.88 0.45 0.00 1.69 5.02 0.01 -2.08 118.16 119.38 3ias n LYS 156 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3ias n LYS 156 Cb 0.14 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3ias n LYS 156 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3ias n LYS 157 N 0.06 2.50 0.26 1.97 4.81 -0.49 -3.34 118.16 123.94 3ias n LYS 157 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.57 3ias n LYS 157 Cb 0.08 -0.95 0.67 0.00 0.02 0.00 0.00 35.03 34.85 3ias n LYS 157 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 3ias h VAL 158 N 0.00 0.44 0.00 3.15 -1.51 -0.74 0.33 116.25 117.92 3ias h VAL 158 Ca 0.00 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 3ias h VAL 158 Cb 0.91 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 31.55 3ias h VAL 158 CO 0.00 0.13 0.00 0.03 -1.23 0.00 0.00 177.57 176.50 3ias h ARG 159 N 0.00 0.00 -1.24 5.19 3.08 -1.76 -3.43 114.38 116.22 3ias h ARG 159 Ca -0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 3ias h ARG 159 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 3ias h ARG 159 CO 0.02 0.00 -0.23 0.41 -1.07 0.00 0.00 179.97 179.10 3ias n GLY 160 N -0.48 0.05 1.12 0.04 0.00 0.12 -4.83 105.19 101.21 3ias n GLY 160 Ca 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 3ias n GLY 160 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3ias n GLN 161 N -1.91 1.84 -3.93 1.61 7.27 -1.23 -4.84 117.38 116.19 3ias n GLN 161 Ca -0.11 -3.19 -0.14 0.00 0.07 0.00 0.00 57.00 53.63 3ias n GLN 161 Cb 0.57 -1.80 -0.15 0.00 2.41 0.00 0.00 30.24 31.27 3ias n GLN 161 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ias s ALA 162 N -3.24 0.17 0.28 1.69 0.00 -1.21 -4.83 121.76 114.62 3ias s ALA 162 Ca 0.44 0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.47 3ias s ALA 162 Cb 0.40 -0.13 -0.06 0.00 0.00 0.00 0.00 23.12 23.34 3ias s ALA 162 CO -0.01 -0.01 0.03 0.71 0.00 0.00 0.00 175.76 176.49 3ias s TYR 163 N 0.34 1.75 0.63 0.00 1.51 -1.26 -1.69 117.35 118.63 3ias s TYR 163 Ca -0.03 -0.96 0.03 0.00 -1.01 0.00 0.00 57.07 55.10 3ias s TYR 163 Cb -0.05 -1.07 0.12 0.00 -0.11 0.00 0.00 41.96 40.85 3ias s TYR 163 CO -0.01 -0.04 0.87 0.27 -1.11 0.00 0.00 175.55 175.53 3ias n ASN 164 N -0.54 1.48 -0.34 2.29 0.23 -1.15 -4.93 115.26 112.29 3ias n ASN 164 Ca -0.03 -2.17 -0.03 0.00 -0.53 0.00 0.00 54.58 51.82 3ias n ASN 164 Cb 0.65 -0.53 0.09 0.00 -2.08 0.00 0.00 39.78 37.91 3ias n ASN 164 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3ias h GLU 165 N 0.00 1.22 -0.12 -3.83 4.39 -2.02 -0.05 114.58 114.17 3ias h GLU 165 Ca -0.29 -0.09 0.03 0.00 0.34 0.00 0.00 59.36 59.36 3ias h GLU 165 Cb 1.14 -0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 29.52 3ias h GLU 165 CO 0.34 0.82 0.13 0.00 -1.16 0.00 0.00 179.01 179.14 3ias h ARG 166 N 1.25 0.00 0.00 2.33 3.08 -2.07 -3.45 114.38 115.52 3ias h ARG 166 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 3ias h ARG 166 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.94 3ias h ARG 166 CO -0.07 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.24 3ias n GLY 167 N -1.39 1.39 3.87 0.04 0.00 -0.03 -5.11 105.19 103.97 3ias n GLY 167 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3ias n GLY 167 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ias s GLU 168 N -0.35 3.66 0.24 1.61 2.02 -1.26 -4.87 118.70 119.75 3ias s GLU 168 Ca 0.00 0.04 -0.30 0.00 0.02 0.00 0.00 54.97 54.73 3ias s GLU 168 Cb 0.00 -3.07 -0.09 0.00 0.10 0.00 0.00 34.13 31.07 3ias s GLU 168 CO 0.00 0.63 1.30 0.50 0.02 0.00 0.00 175.26 177.70 3ias s ARG 169 N -1.74 4.40 -0.17 1.61 3.52 -1.26 -2.94 118.95 122.36 3ias s ARG 169 Ca 0.29 2.09 -0.06 0.00 -0.13 0.00 0.00 55.73 57.91 3ias s ARG 169 Cb -0.14 -3.16 -0.03 0.00 -1.56 0.00 0.00 34.95 30.06 3ias s ARG 169 CO 0.16 -0.20 0.02 -0.51 -0.81 0.00 0.00 175.30 173.96 3ias s LEU 170 N -0.67 3.55 0.16 -0.88 1.43 -0.68 -4.98 118.68 116.60 3ias s LEU 170 Ca 0.54 -0.02 -0.34 0.00 -1.03 0.00 0.00 54.13 53.28 3ias s LEU 170 Cb -0.37 -1.88 -0.14 0.00 0.03 0.00 0.00 46.19 43.83 3ias s LEU 170 CO 0.42 0.17 1.59 -0.81 0.23 0.00 0.00 176.35 177.95 3ias n PRO 171 N 3.57 2.20 0.00 1.29 -0.04 -1.26 -4.72 135.00 136.04 3ias n PRO 171 Ca -0.17 0.79 -0.01 0.00 -0.04 0.00 0.00 63.50 64.07 3ias n PRO 171 Cb 0.52 -2.57 0.27 0.00 -0.04 0.00 0.00 33.50 31.68 3ias n PRO 171 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3ias h PRO 172 N 6.00 0.51 -6.12 0.54 0.11 -1.89 -3.42 132.00 127.73 3ias h PRO 172 Ca -0.45 -0.13 -0.67 0.00 0.11 0.00 0.00 66.00 64.86 3ias h PRO 172 Cb 1.25 -0.06 -0.15 0.00 0.11 0.00 0.00 31.00 32.15 3ias h PRO 172 CO 0.89 0.60 -0.65 0.08 -0.21 0.00 0.00 178.00 178.71 3ias s VAL 173 N -4.83 4.09 -1.11 3.15 1.01 -1.26 -4.57 120.40 116.89 3ias s VAL 173 Ca -0.07 -0.51 -0.21 0.00 0.00 0.00 0.00 61.98 61.18 3ias s VAL 173 Cb 0.15 -2.77 0.06 0.00 0.00 0.00 0.00 36.38 33.82 3ias s VAL 173 CO 0.77 0.46 1.52 0.00 0.00 0.00 0.00 175.10 177.86 3ias s ALA 174 N -0.99 2.96 0.00 5.51 0.00 -1.26 -5.14 121.76 122.84 3ias s ALA 174 Ca 0.17 -2.52 0.00 0.00 0.00 0.00 0.00 51.96 49.61 3ias s ALA 174 Cb -0.11 -4.53 0.00 0.00 0.00 0.00 0.00 23.12 18.47 3ias s ALA 174 CO 0.07 -3.47 0.00 0.00 0.00 0.00 0.00 175.76 172.36