#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 0.56 -0.08 3.49 1.12 -2.03 -1.66 114.38 115.79 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 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 29.83 3ias h ARG 16 CO 0.00 0.37 0.00 -1.91 -3.11 0.00 0.00 179.97 175.32 3ias n GLU 17 N -4.49 2.21 -0.77 0.20 4.07 -1.26 -4.43 120.64 116.16 3ias n GLU 17 Ca 0.12 -1.76 -0.29 0.00 -0.06 0.00 0.00 57.16 55.17 3ias n GLU 17 Cb 0.36 -1.47 0.24 0.00 -0.06 0.00 0.00 31.44 30.52 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 -1.92 1.52 0.06 8.31 0.00 -0.62 -4.80 107.32 109.87 3ias s GLY 18 Ca 0.31 -0.57 -0.20 0.00 0.00 0.00 0.00 44.72 44.26 3ias s GLY 18 CO 0.31 0.24 1.41 -2.22 0.00 0.00 0.00 173.10 172.84 3ias h ILE 19 N -2.69 1.31 -0.44 0.90 2.04 -1.93 -2.35 117.51 114.35 3ias h ILE 19 Ca -0.52 -1.16 0.09 0.00 1.00 0.00 0.00 64.86 64.27 3ias h ILE 19 Cb 1.33 1.68 -0.08 0.00 -0.74 0.00 0.00 36.82 39.01 3ias h ILE 19 CO 0.43 0.35 -0.03 0.25 0.00 0.00 0.00 178.15 179.14 3ias h LEU 20 N 0.08 -0.25 -0.05 1.44 5.85 -1.92 0.27 115.31 120.72 3ias h LEU 20 Ca 0.04 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 3ias h LEU 20 Cb 0.58 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 3ias h LEU 20 CO 0.03 -0.09 -0.05 0.15 -0.34 0.00 0.00 178.44 178.14 3ias h PHE 21 N 0.07 0.16 0.28 1.25 3.57 -1.78 -3.07 116.94 117.42 3ias h PHE 21 Ca 0.22 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.68 3ias h PHE 21 Cb 0.33 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 3ias h PHE 21 CO -0.32 0.58 -0.43 1.15 -2.23 0.00 0.00 178.31 177.06 3ias h THR 22 N -0.31 0.14 0.00 4.41 2.02 -0.81 0.06 112.91 118.41 3ias h THR 22 Ca 0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 3ias h THR 22 Cb 0.56 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3ias h THR 22 CO 0.01 0.00 -0.00 0.74 0.37 0.00 0.00 175.52 176.64 3ias h THR 23 N -0.77 0.73 0.56 3.16 2.02 -0.62 0.37 112.91 118.36 3ias h THR 23 Ca -0.01 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 3ias h THR 23 Cb 0.73 1.00 0.01 0.00 -1.74 0.00 0.00 68.15 68.15 3ias h THR 23 CO -0.16 0.00 -0.27 -0.07 0.37 0.00 0.00 175.52 175.39 3ias h LEU 24 N 0.00 -0.64 -2.51 2.58 4.07 -1.24 -2.38 115.31 115.19 3ias h LEU 24 Ca -0.00 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.98 3ias h LEU 24 Cb 0.00 0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.91 3ias h LEU 24 CO 0.00 -0.34 0.00 1.05 -1.08 0.00 0.00 178.44 178.07 3ias h GLU 25 N -1.00 0.00 0.00 1.13 4.11 0.02 0.23 114.58 119.06 3ias h GLU 25 Ca -0.08 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.28 3ias h GLU 25 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3ias h GLU 25 CO 0.13 0.00 -0.47 0.87 0.07 0.00 0.00 179.01 179.61 3ias h LYS 26 N 0.00 0.00 0.19 1.06 1.57 -0.33 -1.79 116.57 117.27 3ias h LYS 26 Ca 0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 3ias h LYS 26 Cb 0.12 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.44 3ias h LYS 26 CO 0.00 0.31 -1.64 -0.07 -0.57 0.00 0.00 179.45 177.48 3ias h LEU 27 N 0.00 0.64 0.36 2.94 4.07 -0.25 -2.98 115.31 120.08 3ias h LEU 27 Ca -0.02 -0.93 -0.00 0.00 0.08 0.00 0.00 57.88 57.01 3ias h LEU 27 Cb 1.27 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 3ias h LEU 27 CO 0.04 1.75 -0.31 0.58 -1.08 0.00 0.00 178.44 179.42 3ias h VAL 28 N 0.05 0.36 0.24 1.22 2.07 -0.74 -0.63 116.25 118.82 3ias h VAL 28 Ca -0.32 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.21 3ias h VAL 28 Cb 2.06 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 3ias h VAL 28 CO 0.18 0.00 -0.34 0.00 0.02 0.00 0.00 177.57 177.44 3ias h ALA 29 N -0.15 -0.65 -1.09 1.67 0.00 -1.48 0.14 119.26 117.69 3ias h ALA 29 Ca -0.03 -0.09 0.32 0.00 0.00 0.00 0.00 54.91 55.12 3ias h ALA 29 Cb 0.60 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3ias h ALA 29 CO -0.03 -0.91 0.88 2.35 0.00 0.00 0.00 179.25 181.53 3ias h TRP 30 N -0.64 0.00 0.00 0.00 2.91 -1.44 0.52 115.95 117.31 3ias h TRP 30 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 3ias h TRP 30 Cb 0.61 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.26 3ias h TRP 30 CO -0.24 0.00 0.00 0.41 -1.03 0.00 0.00 178.44 177.58 3ias n GLY 31 N -1.73 -1.69 0.00 2.65 0.00 0.44 -3.13 105.19 101.73 3ias n GLY 31 Ca 0.23 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.58 0.35 0.09 1.61 1.85 -0.88 -0.66 116.66 117.44 3ias n ARG 32 Ca 0.00 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.94 3ias n ARG 32 Cb 0.00 -1.47 0.40 0.00 -1.05 0.00 0.00 32.46 30.34 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 -0.97 0.39 0.00 2.89 2.88 0.14 -3.23 113.62 115.73 3ias n SER 33 Ca 0.08 0.63 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 3ias n SER 33 Cb 0.04 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 62.80 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 -1.97 4.13 -0.96 -3.46 4.13 0.16 -4.59 115.26 112.71 3ias n ASN 34 Ca 0.01 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.26 3ias n ASN 34 Cb 0.14 0.77 0.01 0.00 -1.54 0.00 0.00 39.78 39.16 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 -1.31 2.70 -4.68 6.41 3.41 -1.18 -4.87 113.62 114.10 3ias n SER 35 Ca 0.00 -2.06 -0.42 0.00 -0.26 0.00 0.00 58.87 56.12 3ias n SER 35 Cb 0.06 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.47 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 -0.14 4.29 -0.74 1.04 1.43 -1.22 -4.93 118.68 118.41 3ias s LEU 36 Ca 0.02 2.07 0.01 0.00 -1.03 0.00 0.00 54.13 55.20 3ias s LEU 36 Cb 0.02 -3.55 0.18 0.00 0.03 0.00 0.00 46.19 42.87 3ias s LEU 36 CO 0.01 -0.79 0.57 0.86 0.23 0.00 0.00 176.35 177.23 3ias s TRP 37 N 3.06 3.61 -0.45 0.29 -0.00 -1.26 -5.05 118.94 119.15 3ias s TRP 37 Ca 0.65 -3.07 -0.34 0.00 -0.00 0.00 0.00 56.10 53.34 3ias s TRP 37 Cb -0.30 -3.03 -0.12 0.00 -0.00 0.00 0.00 33.47 30.01 3ias s TRP 37 CO 0.25 -0.71 2.28 -2.30 -0.00 0.00 0.00 176.95 176.47 3ias n PRO 38 N 2.57 0.90 -3.59 5.86 -0.02 -1.26 -3.54 135.00 135.92 3ias n PRO 38 Ca 0.16 0.21 -0.38 0.00 -2.02 0.00 0.00 63.50 61.47 3ias n PRO 38 Cb 0.36 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.34 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 8.11 4.20 0.49 3.55 0.00 -0.56 -5.01 121.76 132.54 3ias s ALA 39 Ca 1.12 -3.72 -0.22 0.00 0.00 0.00 0.00 51.96 49.13 3ias s ALA 39 Cb -0.84 -2.95 -0.08 0.00 0.00 0.00 0.00 23.12 19.25 3ias s ALA 39 CO 0.47 -2.16 1.02 -2.37 0.00 0.00 0.00 175.76 172.72 3ias n THR 40 N 2.66 2.86 -3.21 0.00 5.66 -1.26 -3.27 114.28 117.73 3ias n THR 40 Ca 0.19 -0.50 -0.23 0.00 -3.05 0.00 0.00 64.05 60.46 3ias n THR 40 Cb 0.38 -1.20 -0.06 0.00 -1.55 0.00 0.00 70.33 67.89 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 -0.90 0.25 -2.40 1.09 7.35 -0.15 -4.82 117.46 117.89 3ias n PHE 41 Ca 0.10 -3.68 -0.33 0.00 -0.76 0.00 0.00 57.45 52.79 3ias n PHE 41 Cb 0.42 -0.39 -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 -1.57 2.25 0.00 7.13 0.00 -1.26 -3.38 107.32 110.49 3ias s GLY 42 Ca 0.37 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.47 3ias s GLY 42 CO -0.10 0.69 0.00 1.04 0.00 0.00 0.00 173.10 174.73 3ias n LEU 43 N -1.40 0.00 0.00 0.66 4.77 0.40 -4.91 117.00 116.52 3ias n LEU 43 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 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 0.43 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.49 3ias n ALA 44 N -2.50 0.00 0.02 -1.18 0.00 -1.25 -4.66 120.51 110.93 3ias n ALA 44 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3ias n ALA 44 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 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 1.96 1.87 0.00 0.00 0.00 -1.45 -2.28 119.26 119.35 3ias h ALA 47 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ias h ALA 47 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ias h ALA 47 CO -0.00 0.01 -0.72 -0.89 0.00 0.00 0.00 179.25 177.64 3ias n ILE 48 N -4.35 0.18 0.38 0.00 5.41 -0.58 -3.53 119.36 116.87 3ias n ILE 48 Ca -0.03 -0.18 0.11 0.00 1.00 0.00 0.00 62.75 63.66 3ias n ILE 48 Cb 0.09 0.12 -0.06 0.00 -0.71 0.00 0.00 39.64 39.08 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 -1.87 0.41 0.14 0.38 4.07 -0.89 -3.89 120.64 118.99 3ias n GLU 49 Ca 0.04 -0.05 0.07 0.00 -0.06 0.00 0.00 57.16 57.15 3ias n GLU 49 Cb 0.40 -1.58 0.04 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 -1.57 -3.18 114.93 119.54 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 0.82 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.62 3ias h MET 50 CO 0.00 0.18 0.00 -1.33 0.23 0.00 0.00 176.91 175.99 3ias n MET 51 N -2.99 0.37 -0.11 0.39 2.81 -1.23 -2.06 117.12 114.31 3ias n MET 51 Ca 0.00 0.07 0.11 0.00 -1.81 0.00 0.00 57.70 56.07 3ias n MET 51 Cb 0.64 -1.50 0.16 0.00 -0.71 0.00 0.00 33.22 31.81 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 -1.25 2.43 -0.03 3.04 0.00 -1.20 -3.48 120.51 120.02 3ias n ALA 52 Ca 0.11 -0.86 -0.04 0.00 0.00 0.00 0.00 53.44 52.66 3ias n ALA 52 Cb 0.16 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 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 1.31 3.60 0.09 0.00 3.41 -0.87 -4.29 113.62 116.86 3ias n SER 53 Ca 0.16 -0.02 0.13 0.00 -0.26 0.00 0.00 58.87 58.87 3ias n SER 53 Cb 0.56 0.18 0.45 0.00 -0.26 0.00 0.00 64.21 65.15 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 -2.49 0.55 -0.02 6.66 -1.04 -1.01 -2.91 114.28 114.02 3ias n THR 54 Ca -0.10 -0.13 -0.08 0.00 -2.04 0.00 0.00 64.05 61.70 3ias n THR 54 Cb 0.64 -0.68 -0.14 0.00 -1.82 0.00 0.00 70.33 68.33 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 -2.11 0.81 -0.30 8.00 8.00 -1.23 -4.15 116.55 125.58 3ias n ASP 55 Ca 0.05 0.38 0.12 0.00 0.71 0.00 0.00 54.79 56.06 3ias n ASP 55 Cb 0.37 0.03 0.36 0.00 -0.02 0.00 0.00 41.12 41.87 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 1.04 1.80 -3.00 2.24 0.00 -1.71 -3.51 119.26 116.12 3ias h ALA 56 Ca -0.29 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3ias h ALA 56 Cb 1.99 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.66 3ias h ALA 56 CO 0.07 -0.08 0.00 2.89 0.00 0.00 0.00 179.25 182.14 3ias n ARG 57 N -4.60 0.00 0.00 0.00 -4.01 -1.25 -5.13 116.66 101.67 3ias n ARG 57 Ca 0.19 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.00 3ias n ARG 57 Cb 0.50 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.92 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 -4.49 2.89 1.13 -1.26 -5.13 117.38 110.52 3ias n GLN 74 Ca 0.00 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.85 3ias n GLN 74 Cb 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 30.20 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 0.95 0.55 -1.58 0.00 -1.26 -4.97 121.76 115.45 3ias s ALA 75 Ca 0.00 -0.47 0.09 0.00 0.00 0.00 0.00 51.96 51.58 3ias s ALA 75 Cb 0.00 -0.26 0.07 0.00 0.00 0.00 0.00 23.12 22.92 3ias s ALA 75 CO 0.00 0.22 0.70 0.16 0.00 0.00 0.00 175.76 176.84 3ias s ASP 76 N -0.18 5.10 -0.38 0.00 -4.77 -1.23 -4.42 116.67 110.78 3ias s ASP 76 Ca 0.03 -0.85 -0.13 0.00 -3.30 0.00 0.00 52.55 48.30 3ias s ASP 76 Cb -0.05 0.19 0.02 0.00 -1.09 0.00 0.00 42.92 41.98 3ias s ASP 76 CO -0.00 -1.23 0.41 0.52 0.70 0.00 0.00 175.17 175.57 3ias n VAL 77 N -2.12-10.41 -3.31 2.11 0.31 -1.21 -3.86 118.33 99.84 3ias n VAL 77 Ca 0.12 1.09 -0.38 0.00 -0.01 0.00 0.00 64.34 65.16 3ias n VAL 77 Cb 0.62 -6.71 -0.06 0.00 -0.91 0.00 0.00 33.84 26.78 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 -2.25 4.22 -0.35 5.55 0.23 -0.26 -1.49 119.30 124.94 3ias s MET 78 Ca 0.18 0.59 -0.09 0.00 -1.03 0.00 0.00 55.69 55.34 3ias s MET 78 Cb -0.04 -3.32 0.03 0.00 -1.53 0.00 0.00 34.83 29.96 3ias s MET 78 CO 0.75 0.43 0.16 0.42 -2.03 0.00 0.00 175.02 174.76 3ias s ILE 79 N -0.34 4.28 -0.46 3.16 1.01 -1.20 -2.62 121.20 125.03 3ias s ILE 79 Ca 0.28 -0.90 -0.27 0.00 0.00 0.00 0.00 60.65 59.76 3ias s ILE 79 Cb -0.17 -3.37 0.03 0.00 0.01 0.00 0.00 42.46 38.95 3ias s ILE 79 CO 0.15 -0.17 1.03 -0.69 0.00 0.00 0.00 174.94 175.26 3ias s VAL 80 N 1.51 4.35 -0.54 2.92 1.01 -0.68 -0.98 120.40 127.99 3ias s VAL 80 Ca 0.01 1.00 0.04 0.00 0.00 0.00 0.00 61.98 63.03 3ias s VAL 80 Cb -0.19 -4.51 0.14 0.00 0.00 0.00 0.00 36.38 31.81 3ias s VAL 80 CO 0.05 -0.91 0.30 0.00 0.00 0.00 0.00 175.10 174.54 3ias s ALA 81 N 4.08 3.17 0.00 5.51 0.00 -1.22 0.57 121.76 133.88 3ias s ALA 81 Ca 0.42 -3.25 0.00 0.00 0.00 0.00 0.00 51.96 49.14 3ias s ALA 81 Cb -0.09 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 20.93 3ias s ALA 81 CO 0.29 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.42 3ias n GLY 82 N 2.97 1.01 3.65 0.00 0.00 -1.25 -0.46 105.19 111.12 3ias n GLY 82 Ca 0.09 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.06 4.07 -0.63 1.61 3.03 -1.26 -3.59 118.95 121.13 3ias s ARG 83 Ca 0.00 2.15 -0.21 0.00 2.03 0.00 0.00 55.73 59.70 3ias s ARG 83 Cb 0.00 -4.03 0.08 0.00 -1.03 0.00 0.00 34.95 29.97 3ias s ARG 83 CO 0.00 -0.98 0.86 -1.17 -1.13 0.00 0.00 175.30 172.88 3ias s LEU 84 N 4.43 4.78 0.98 -1.89 1.98 -1.26 -4.73 118.68 122.98 3ias s LEU 84 Ca 0.76 -1.15 -0.11 0.00 -2.89 0.00 0.00 54.13 50.74 3ias s LEU 84 Cb -0.33 -2.38 0.18 0.00 0.66 0.00 0.00 46.19 44.32 3ias s LEU 84 CO 0.31 -1.31 1.11 -0.55 -1.89 0.00 0.00 176.35 174.02 3ias s SER 85 N 3.64 2.41 0.28 3.68 0.15 -1.26 -2.29 113.70 120.30 3ias s SER 85 Ca 0.18 1.96 0.10 0.00 0.70 0.00 0.00 55.95 58.89 3ias s SER 85 Cb -0.20 -2.48 0.37 0.00 -1.71 0.00 0.00 66.02 62.00 3ias s SER 85 CO 0.09 -3.39 1.62 0.11 1.20 0.00 0.00 173.24 172.87 3ias h LYS 86 N -2.06 0.04 -0.34 5.44 1.57 -1.84 -2.23 116.57 117.15 3ias h LYS 86 Ca -0.49 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.14 3ias h LYS 86 Cb 1.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 3ias h LYS 86 CO 0.45 0.62 -0.28 -0.22 -0.57 0.00 0.00 179.45 179.44 3ias h LYS 87 N 0.03 0.79 0.00 3.15 3.64 -1.91 -2.88 116.57 119.40 3ias h LYS 87 Ca -0.01 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3ias h LYS 87 Cb 1.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3ias h LYS 87 CO 0.08 1.03 0.00 1.98 -2.27 0.00 0.00 179.45 180.27 3ias h MET 88 N 0.57 0.00 0.72 1.90 4.05 -1.90 -3.36 114.93 116.91 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 0.86 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.66 3ias h MET 88 CO 0.07 0.00 -0.39 0.00 0.23 0.00 0.00 176.91 176.82 3ias h ALA 89 N 2.20 -1.25 0.00 0.39 0.00 -1.16 -2.23 119.26 117.21 3ias h ALA 89 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3ias h ALA 89 Cb 0.50 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3ias h ALA 89 CO 0.00 -1.19 0.01 -0.35 0.00 0.00 0.00 179.25 177.72 3ias n PRO 90 N -4.90 0.04 -0.09 0.00 -0.04 -1.26 -1.54 135.00 127.21 3ias n PRO 90 Ca -0.13 0.53 -0.16 0.00 -0.04 0.00 0.00 63.50 63.70 3ias n PRO 90 Cb 0.42 -1.63 -0.10 0.00 -0.04 0.00 0.00 33.50 32.14 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 1.09 -0.16 0.52 2.07 -1.68 -3.20 116.25 114.89 3ias h VAL 91 Ca 0.00 -2.06 0.04 0.00 0.82 0.00 0.00 66.70 65.50 3ias h VAL 91 Cb 0.02 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 3ias h VAL 91 CO 0.00 0.37 0.11 -0.03 0.02 0.00 0.00 177.57 178.04 3ias h MET 92 N -1.00 0.03 0.10 1.57 1.85 -0.81 -2.23 114.93 114.45 3ias h MET 92 Ca -0.17 -0.00 0.02 0.00 -0.61 0.00 0.00 59.70 58.94 3ias h MET 92 Cb 1.04 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 33.03 3ias h MET 92 CO -0.11 0.02 -0.27 -0.09 -0.40 0.00 0.00 176.91 176.07 3ias h ARG 93 N 0.04 -0.45 -0.74 0.39 9.65 -1.37 -1.97 114.38 119.93 3ias h ARG 93 Ca 0.07 0.03 0.04 0.00 -1.10 0.00 0.00 59.98 59.03 3ias h ARG 93 Cb 0.26 0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 28.89 3ias h ARG 93 CO -0.00 -0.30 0.45 0.00 2.80 0.00 0.00 179.97 182.92 3ias h ARG 94 N -0.47 0.84 -0.70 0.20 3.08 -1.40 -1.73 114.38 114.20 3ias h ARG 94 Ca 0.04 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.11 3ias h ARG 94 Cb 0.51 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 3ias h ARG 94 CO -0.17 0.55 0.46 0.28 -1.07 0.00 0.00 179.97 180.02 3ias h VAL 95 N 0.86 1.00 0.04 2.04 2.07 -1.22 -1.86 116.25 119.17 3ias h VAL 95 Ca 0.31 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 3ias h VAL 95 Cb 0.08 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3ias h VAL 95 CO -0.14 0.13 -0.02 -0.25 0.02 0.00 0.00 177.57 177.31 3ias h TRP 96 N 0.69 -0.05 -0.27 1.57 7.01 -0.60 -3.33 115.95 120.98 3ias h TRP 96 Ca 0.30 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.36 3ias h TRP 96 Cb 0.30 0.02 -0.08 0.00 -2.10 0.00 0.00 29.16 27.30 3ias h TRP 96 CO -0.00 0.57 -0.42 0.93 -2.79 0.00 0.00 178.44 176.74 3ias h GLU 97 N -0.74 -0.39 -3.81 2.65 5.08 -1.12 -3.12 114.58 113.14 3ias h GLU 97 Ca -0.01 0.03 -0.68 0.00 -1.00 0.00 0.00 59.36 57.70 3ias h GLU 97 Cb 0.64 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 3ias h GLU 97 CO 0.01 -0.26 3.20 1.04 -1.00 0.00 0.00 179.01 182.00 3ias n GLN 98 N -5.42 2.88 -4.11 2.33 6.02 -0.72 -4.80 117.38 113.57 3ias n GLN 98 Ca -0.02 -2.40 -0.10 0.00 -0.01 0.00 0.00 57.00 54.47 3ias n GLN 98 Cb 0.35 -3.12 -0.09 0.00 1.02 0.00 0.00 30.24 28.40 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 3.15 1.02 1.31 -1.09 1.75 -1.18 -4.91 119.30 119.35 3ias s MET 99 Ca 0.53 -1.39 -0.20 0.00 -1.25 0.00 0.00 55.69 53.38 3ias s MET 99 Cb 0.15 0.28 0.31 0.00 2.84 0.00 0.00 34.83 38.41 3ias s MET 99 CO -0.06 -0.32 0.71 -0.35 -0.65 0.00 0.00 175.02 174.35 3ias n PRO 100 N -0.14 -3.98 -0.02 4.11 -0.04 -1.26 -4.99 135.00 128.68 3ias n PRO 100 Ca -0.05 -1.18 -0.21 0.00 -0.04 0.00 0.00 63.50 62.02 3ias n PRO 100 Cb 0.64 -1.77 -0.14 0.00 -0.04 0.00 0.00 33.50 32.19 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 -4.25 2.10 -4.56 3.54 -0.08 -1.26 -4.54 116.55 107.50 3ias n ASP 101 Ca 0.11 0.17 -0.35 0.00 -1.51 0.00 0.00 54.79 53.21 3ias n ASP 101 Cb 0.50 -0.80 -0.04 0.00 2.34 0.00 0.00 41.12 43.12 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 -2.55 2.97 0.06 -0.67 0.02 -1.26 -4.91 135.00 128.66 3ias s PRO 102 Ca -0.25 -0.41 -0.01 0.00 0.02 0.00 0.00 61.00 60.36 3ias s PRO 102 Cb 0.07 -4.95 -0.04 0.00 0.02 0.00 0.00 34.50 29.60 3ias s PRO 102 CO 0.74 -2.76 -0.02 -1.59 -0.33 0.00 0.00 177.00 173.03 3ias s LYS 103 N 6.22 0.66 0.06 5.54 -2.85 -1.26 -4.72 119.74 123.39 3ias s LYS 103 Ca 0.58 -1.26 -0.06 0.00 -1.00 0.00 0.00 55.97 54.23 3ias s LYS 103 Cb -0.06 0.21 -0.01 0.00 -2.06 0.00 0.00 37.83 35.91 3ias s LYS 103 CO 0.01 -0.13 0.12 -1.58 0.10 0.00 0.00 175.35 173.87 3ias s TRP 104 N -3.93 0.23 -0.19 1.78 0.51 -1.26 -4.53 118.94 111.54 3ias s TRP 104 Ca 0.10 -0.62 -0.01 0.00 -2.12 0.00 0.00 56.10 53.45 3ias s TRP 104 Cb 0.08 -0.15 0.05 0.00 -0.81 0.00 0.00 33.47 32.65 3ias s TRP 104 CO -0.08 -0.45 -0.02 0.08 -0.51 0.00 0.00 176.95 175.97 3ias s VAL 105 N -3.35 1.01 0.12 4.03 1.01 -1.26 -1.10 120.40 120.86 3ias s VAL 105 Ca 0.01 -0.76 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 3ias s VAL 105 Cb 0.03 -1.33 -0.06 0.00 0.00 0.00 0.00 36.38 35.02 3ias s VAL 105 CO -0.08 -0.05 0.50 -0.63 0.00 0.00 0.00 175.10 174.83 3ias s ILE 106 N 1.65 4.93 -0.15 2.22 1.01 -1.08 -0.47 121.20 129.31 3ias s ILE 106 Ca -0.02 0.72 0.00 0.00 0.00 0.00 0.00 60.65 61.36 3ias s ILE 106 Cb -0.17 -3.71 -0.00 0.00 0.01 0.00 0.00 42.46 38.59 3ias s ILE 106 CO -0.07 0.28 -0.15 -0.94 0.00 0.00 0.00 174.94 174.06 3ias s SER 107 N -1.69 3.72 -0.36 3.58 1.04 -0.09 -1.68 113.70 118.22 3ias s SER 107 Ca 0.35 -0.45 -0.15 0.00 0.48 0.00 0.00 55.95 56.18 3ias s SER 107 Cb -0.15 -1.57 -0.00 0.00 0.10 0.00 0.00 66.02 64.39 3ias s SER 107 CO 0.19 0.09 0.35 -0.32 0.98 0.00 0.00 173.24 174.53 3ias s MET 108 N 0.77 3.41 0.32 4.02 1.75 0.19 -1.23 119.30 128.53 3ias s MET 108 Ca -0.06 -0.57 0.00 0.00 -1.25 0.00 0.00 55.69 53.81 3ias s MET 108 Cb -0.15 -3.85 0.00 0.00 2.84 0.00 0.00 34.83 33.66 3ias s MET 108 CO 0.01 -0.60 0.00 0.41 -0.65 0.00 0.00 175.02 174.19 3ias n GLY 109 N 5.03 -2.07 0.35 2.11 0.00 0.11 -3.83 105.19 106.88 3ias n GLY 109 Ca -0.09 -1.39 -0.14 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.43 -0.60 -0.97 4.61 0.00 -1.63 -0.11 119.26 120.12 3ias h ALA 110 Ca 0.01 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.91 3ias h ALA 110 Cb 0.37 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 3ias h ALA 110 CO 0.00 -0.89 0.63 0.00 0.00 0.00 0.00 179.25 178.99 3ias h ALA 112 N 1.46 -0.35 -0.04 0.00 0.00 -1.58 -3.40 119.26 115.36 3ias h ALA 112 Ca 0.41 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.29 3ias h ALA 112 Cb 0.13 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ias h ALA 112 CO -0.15 -0.33 -0.07 0.77 0.00 0.00 0.00 179.25 179.46 3ias h SER 113 N -0.44 -0.24 -2.79 0.00 0.02 -0.92 -2.58 113.55 106.58 3ias h SER 113 Ca -0.02 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3ias h SER 113 Cb 0.13 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.76 3ias h SER 113 CO 0.03 -0.06 0.00 -1.54 -1.14 0.00 0.00 176.83 174.12 3ias n SER 114 N -3.01 0.33 0.00 3.07 3.41 0.59 -4.06 113.62 113.95 3ias n SER 114 Ca -0.01 -0.48 0.06 0.00 -0.26 0.00 0.00 58.87 58.18 3ias n SER 114 Cb 0.05 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.64 7.00 5.00 0.00 0.08 -4.19 105.19 117.44 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 0.22 1.96 0.97 -0.02 0.00 -0.97 -2.78 105.19 104.57 3ias n GLY 116 Ca 0.09 -0.53 0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 8.55 2.39 -3.68 1.61 0.00 -1.26 -4.73 117.12 120.00 3ias n MET 117 Ca 0.00 -2.16 -0.37 0.00 0.00 0.00 0.00 57.70 55.17 3ias n MET 117 Cb 0.00 -1.42 -0.09 0.00 0.00 0.00 0.00 33.22 31.71 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 -1.18 3.44 -1.02 3.17 0.08 -1.12 -4.98 117.98 116.37 3ias s PHE 118 Ca 0.33 -2.65 -0.02 0.00 0.12 0.00 0.00 56.93 54.71 3ias s PHE 118 Cb 0.19 -3.25 0.31 0.00 -0.57 0.00 0.00 43.02 39.69 3ias s PHE 118 CO 0.25 -0.85 1.55 -1.71 -0.10 0.00 0.00 175.22 174.36 3ias n ASN 119 N 3.53 6.55 -0.76 1.36 2.85 -1.26 -4.77 115.26 122.76 3ias n ASN 119 Ca 0.08 -3.52 0.00 0.00 -0.11 0.00 0.00 54.58 51.03 3ias n ASN 119 Cb 0.39 -1.18 0.00 0.00 1.24 0.00 0.00 39.78 40.23 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 0.75 0.00 0.20 1.20 0.23 -1.26 -5.04 115.26 111.33 3ias n ASN 120 Ca 0.34 -0.76 0.04 0.00 -0.53 0.00 0.00 54.58 53.67 3ias n ASN 120 Cb 0.31 0.00 0.41 0.00 -2.08 0.00 0.00 39.78 38.42 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 0.76 0.00 0.00 -2.53 -0.00 -2.04 -3.29 116.97 109.87 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 0.33 -0.09 0.00 -0.00 0.00 0.00 178.16 178.41 3ias n ALA 122 N -2.43 2.38 -2.78 0.10 0.00 -1.26 -4.84 120.51 111.67 3ias n ALA 122 Ca -0.02 -0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.23 3ias n ALA 122 Cb 0.39 -1.43 -0.11 0.00 0.00 0.00 0.00 19.45 18.30 3ias n ALA 122 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ias s ILE 123 N -3.11 0.67 0.12 0.00 1.01 -1.24 -2.76 121.20 115.89 3ias s ILE 123 Ca 0.10 -1.19 -0.28 0.00 0.00 0.00 0.00 60.65 59.28 3ias s ILE 123 Cb 0.13 -0.78 -0.06 0.00 0.01 0.00 0.00 42.46 41.76 3ias s ILE 123 CO 0.61 -0.39 0.89 -0.69 0.00 0.00 0.00 174.94 175.37 3ias s VAL 124 N -1.52 4.49 -1.96 2.92 1.01 -0.97 -4.70 120.40 119.68 3ias s VAL 124 Ca -0.07 1.94 0.28 0.00 0.00 0.00 0.00 61.98 64.13 3ias s VAL 124 Cb -0.09 -4.26 0.47 0.00 0.00 0.00 0.00 36.38 32.50 3ias s VAL 124 CO 0.00 0.37 1.77 0.00 0.00 0.00 0.00 175.10 177.24 3ias n GLN 125 N 2.52 1.05 -3.64 2.72 1.13 -1.26 -4.58 117.38 115.31 3ias n GLN 125 Ca -0.00 -0.51 -0.07 0.00 -1.94 0.00 0.00 57.00 54.49 3ias n GLN 125 Cb 0.49 -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 -2.30 -0.59 0.57 1.08 3.84 -1.26 -0.74 114.94 115.54 3ias s ASN 126 Ca 0.32 1.02 0.37 0.00 0.21 0.00 0.00 52.86 54.78 3ias s ASN 126 Cb 0.20 1.16 1.76 0.00 -0.55 0.00 0.00 41.25 43.82 3ias s ASN 126 CO 0.44 -0.17 2.11 0.58 -2.79 0.00 0.00 177.10 177.27 3ias h VAL 127 N 4.43 0.00 0.00 -5.21 2.07 -1.60 -1.05 116.25 114.89 3ias h VAL 127 Ca -0.29 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3ias h VAL 127 Cb 1.19 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 3ias h VAL 127 CO 0.15 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 177.07 3ias n ASP 128 N -2.99 0.08 0.20 0.57 2.03 -1.21 -1.07 116.55 114.15 3ias n ASP 128 Ca -0.01 0.53 0.07 0.00 0.52 0.00 0.00 54.79 55.91 3ias n ASP 128 Cb 0.20 -0.54 0.35 0.00 -0.72 0.00 0.00 41.12 40.40 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 -1.60 -3.37 113.55 110.26 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 0.32 -1.11 1.33 -1.14 0.00 0.00 176.83 176.23 3ias n VAL 130 N -3.43 0.11 -4.18 2.27 0.24 -0.35 -5.06 118.33 107.93 3ias n VAL 130 Ca 0.00 -0.05 -0.16 0.00 -2.04 0.00 0.00 64.34 62.10 3ias n VAL 130 Cb 0.50 -0.64 -0.13 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 0.70 -0.02 3.34 -7.23 -0.23 -4.96 120.40 109.97 3ias s VAL 131 Ca -0.02 -0.83 -0.30 0.00 -1.81 0.00 0.00 61.98 59.02 3ias s VAL 131 Cb 0.01 -0.68 -0.05 0.00 0.56 0.00 0.00 36.38 36.22 3ias s VAL 131 CO 0.05 -0.12 1.40 -2.84 -0.31 0.00 0.00 175.10 173.27 3ias s PRO 132 N -1.05 4.28 -0.16 4.82 0.02 -1.26 -3.36 135.00 138.28 3ias s PRO 132 Ca -0.03 1.94 -0.14 0.00 0.02 0.00 0.00 61.00 62.79 3ias s PRO 132 Cb -0.07 -3.62 -0.05 0.00 0.02 0.00 0.00 34.50 30.78 3ias s PRO 132 CO 0.01 -0.60 0.30 0.08 -0.33 0.00 0.00 177.00 176.46 3ias s VAL 133 N 2.60 5.30 -0.18 3.83 1.01 -1.26 -4.19 120.40 127.51 3ias s VAL 133 Ca 0.63 0.56 0.03 0.00 0.00 0.00 0.00 61.98 63.20 3ias s VAL 133 Cb -0.30 -3.64 -0.22 0.00 0.00 0.00 0.00 36.38 32.22 3ias s VAL 133 CO 0.25 0.39 0.12 0.47 0.00 0.00 0.00 175.10 176.33 3ias n ASP 134 N 3.59 1.62 -3.96 3.32 8.00 0.37 -4.93 116.55 124.57 3ias n ASP 134 Ca -0.12 0.07 -0.17 0.00 0.71 0.00 0.00 54.79 55.28 3ias n ASP 134 Cb 0.52 -0.32 -0.15 0.00 -0.02 0.00 0.00 41.12 41.14 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 -2.54 0.49 -0.02 2.53 1.01 -1.18 -4.99 120.40 115.71 3ias s VAL 135 Ca -0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 3ias s VAL 135 Cb 0.08 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 3ias s VAL 135 CO 0.72 0.16 0.11 -0.31 0.00 0.00 0.00 175.10 175.77 3ias s TYR 136 N 0.09 3.37 -0.29 5.22 1.51 -1.26 -0.91 117.35 125.08 3ias s TYR 136 Ca -0.01 0.27 -0.01 0.00 -1.01 0.00 0.00 57.07 56.31 3ias s TYR 136 Cb -0.05 -1.78 0.09 0.00 -0.11 0.00 0.00 41.96 40.11 3ias s TYR 136 CO -0.00 0.59 0.07 0.54 -1.11 0.00 0.00 175.55 175.63 3ias s VAL 137 N -1.20 0.98 0.77 0.71 0.11 -0.36 -4.92 120.40 116.49 3ias s VAL 137 Ca 0.23 -1.32 -0.13 0.00 -2.93 0.00 0.00 61.98 57.83 3ias s VAL 137 Cb -0.12 -1.66 0.06 0.00 -1.53 0.00 0.00 36.38 33.14 3ias s VAL 137 CO 0.14 -0.55 1.15 -2.16 -3.33 0.00 0.00 175.10 170.35 3ias s PRO 138 N 1.58 1.98 0.00 1.54 0.04 -1.26 0.04 135.00 138.92 3ias s PRO 138 Ca 0.07 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.64 3ias s PRO 138 Cb -0.17 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3ias s PRO 138 CO -0.20 -1.91 0.00 0.41 0.04 0.00 0.00 177.00 175.34 3ias n GLY 139 N -0.10 3.09 2.94 0.56 0.00 -1.26 -4.55 105.19 105.87 3ias n GLY 139 Ca 0.12 -1.92 -0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 1.61 4.03 0.31 0.00 0.04 -1.26 -5.06 135.00 134.66 3ias s PRO 141 Ca 0.19 0.90 -0.29 0.00 0.04 0.00 0.00 61.00 61.84 3ias s PRO 141 Cb 0.01 -2.23 -0.12 0.00 0.04 0.00 0.00 34.50 32.19 3ias s PRO 141 CO -0.09 -0.09 1.39 -0.35 0.04 0.00 0.00 177.00 177.90 3ias n PRO 142 N -1.04 2.25 -1.39 0.56 -0.04 -1.25 -4.90 135.00 129.18 3ias n PRO 142 Ca 0.06 0.79 -0.38 0.00 -0.04 0.00 0.00 63.50 63.93 3ias n PRO 142 Cb 0.54 -2.44 0.04 0.00 -0.04 0.00 0.00 33.50 31.60 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 1.23 0.40 -0.15 0.54 0.63 -1.26 -4.80 116.66 113.24 3ias n ARG 143 Ca 0.07 0.16 -0.08 0.00 -0.92 0.00 0.00 57.85 57.09 3ias n ARG 143 Cb 0.35 -1.63 0.01 0.00 0.45 0.00 0.00 32.46 31.64 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 0.06 0.60 0.00 -0.14 0.11 -1.91 -1.90 132.00 128.82 3ias h PRO 144 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3ias h PRO 144 Cb 1.39 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3ias h PRO 144 CO 0.45 0.40 0.00 0.93 -0.21 0.00 0.00 178.00 179.57 3ias h GLU 145 N 0.61 0.00 0.00 1.05 3.07 -1.94 -0.37 114.58 117.01 3ias h GLU 145 Ca 0.17 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.85 3ias h GLU 145 Cb -0.06 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.82 3ias h GLU 145 CO -0.04 0.00 -1.20 0.00 -1.40 0.00 0.00 179.01 176.37 3ias h ALA 146 N 2.00 0.65 -0.11 3.43 0.00 -1.69 -3.02 119.26 120.52 3ias h ALA 146 Ca 0.00 -0.84 -0.12 0.00 0.00 0.00 0.00 54.91 53.95 3ias h ALA 146 Cb 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3ias h ALA 146 CO 0.00 0.96 -0.46 1.25 0.00 0.00 0.00 179.25 181.00 3ias h LEU 147 N 0.00 0.28 0.42 0.00 7.12 -0.79 -0.93 115.31 121.41 3ias h LEU 147 Ca -0.13 -0.13 -0.02 0.00 0.13 0.00 0.00 57.88 57.73 3ias h LEU 147 Cb 1.61 -0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 41.65 3ias h LEU 147 CO 0.06 0.71 -0.27 0.40 -0.13 0.00 0.00 178.44 179.22 3ias h ILE 148 N 0.22 0.00 -1.06 4.05 5.03 -1.51 -2.49 117.51 121.74 3ias h ILE 148 Ca 0.01 0.00 0.30 0.00 -0.12 0.00 0.00 64.86 65.06 3ias h ILE 148 Cb 0.91 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 34.65 3ias h ILE 148 CO 0.07 0.00 0.76 0.22 -0.68 0.00 0.00 178.15 178.52 3ias h TYR 149 N -0.65 0.07 -0.30 1.37 5.03 -1.50 -0.95 116.97 120.03 3ias h TYR 149 Ca -0.06 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.18 3ias h TYR 149 Cb 0.52 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.77 3ias h TYR 149 CO -0.02 0.01 -0.10 0.00 -1.32 0.00 0.00 178.16 176.72 3ias h ALA 150 N 1.48 0.42 0.00 1.82 0.00 -0.86 -2.23 119.26 119.90 3ias h ALA 150 Ca 0.52 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 3ias h ALA 150 Cb 1.98 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.64 3ias h ALA 150 CO -0.04 0.27 -0.58 -0.39 0.00 0.00 0.00 179.25 178.51 3ias h VAL 151 N 0.36 1.22 -0.92 0.00 -1.51 -0.77 -2.46 116.25 112.18 3ias h VAL 151 Ca 0.07 -2.14 0.08 0.00 -1.23 0.00 0.00 66.70 63.48 3ias h VAL 151 Cb 0.60 2.22 -0.06 0.00 -2.13 0.00 0.00 31.29 31.92 3ias h VAL 151 CO 0.04 0.57 0.60 0.24 -1.23 0.00 0.00 177.57 177.78 3ias h MET 152 N 0.00 0.97 0.08 5.19 2.07 -1.10 0.87 114.93 123.01 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 1.18 -0.22 0.00 0.00 -1.87 0.00 0.00 31.60 30.69 3ias h MET 152 CO 0.08 0.64 -0.04 0.37 1.07 0.00 0.00 176.91 179.03 3ias h GLN 153 N 1.00 -0.10 -0.29 1.72 5.75 -1.08 0.04 115.11 122.14 3ias h GLN 153 Ca 0.41 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.99 3ias h GLN 153 Cb 0.30 0.02 -0.08 0.00 1.07 0.00 0.00 27.48 28.79 3ias h GLN 153 CO -0.17 0.21 -0.26 1.25 -2.65 0.00 0.00 178.83 177.21 3ias h LEU 154 N -0.42 -0.84 -0.18 -2.39 5.85 -0.86 -2.23 115.31 114.25 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 0.36 0.40 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 3ias h LEU 154 CO 0.02 -0.29 -0.26 -0.61 -0.34 0.00 0.00 178.44 176.96 3ias h GLN 155 N -0.24 -0.19 -0.38 1.25 4.15 0.78 -0.91 115.11 119.57 3ias h GLN 155 Ca 0.15 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.58 3ias h GLN 155 Cb 0.48 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.21 3ias h GLN 155 CO -0.43 -0.12 0.00 1.63 -1.93 0.00 0.00 178.83 177.98 3ias n LYS 156 N -3.94 0.50 0.00 1.69 5.02 -0.01 -1.77 118.16 119.65 3ias n LYS 156 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 3ias n LYS 156 Cb 0.16 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 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 0.07 2.94 0.26 1.97 4.81 -0.44 -3.37 118.16 124.39 3ias n LYS 157 Ca 0.00 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.58 3ias n LYS 157 Cb 0.09 -0.96 0.63 0.00 0.02 0.00 0.00 35.03 34.82 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 0.33 0.00 3.15 -1.51 -0.48 0.27 116.25 118.01 3ias h VAL 158 Ca 0.00 -0.74 0.00 0.00 -1.23 0.00 0.00 66.70 64.73 3ias h VAL 158 Cb 0.92 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 3ias h VAL 158 CO 0.00 0.11 0.00 0.03 -1.23 0.00 0.00 177.57 176.48 3ias h ARG 159 N 0.00 0.00 -1.41 5.19 3.08 -1.75 -3.43 114.38 116.06 3ias h ARG 159 Ca -0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 3ias h ARG 159 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3ias h ARG 159 CO 0.01 0.00 -0.26 0.41 -1.07 0.00 0.00 179.97 179.07 3ias n GLY 160 N -0.51 -0.01 1.05 0.04 0.00 0.95 -4.83 105.19 101.87 3ias n GLY 160 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.99 1.96 -3.91 1.61 7.27 -1.23 -4.84 117.38 116.25 3ias n GLN 161 Ca -0.12 -3.12 -0.14 0.00 0.07 0.00 0.00 57.00 53.69 3ias n GLN 161 Cb 0.58 -1.80 -0.15 0.00 2.41 0.00 0.00 30.24 31.29 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 -3.17 0.15 0.28 1.69 0.00 -1.22 -4.84 121.76 114.65 3ias s ALA 162 Ca 0.43 0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.49 3ias s ALA 162 Cb 0.39 -0.13 -0.06 0.00 0.00 0.00 0.00 23.12 23.32 3ias s ALA 162 CO 0.01 -0.01 0.01 0.71 0.00 0.00 0.00 175.76 176.47 3ias s TYR 163 N 0.38 1.80 0.54 0.00 1.51 -1.26 -1.87 117.35 118.46 3ias s TYR 163 Ca -0.03 -0.89 0.01 0.00 -1.01 0.00 0.00 57.07 55.14 3ias s TYR 163 Cb -0.06 -1.10 0.11 0.00 -0.11 0.00 0.00 41.96 40.80 3ias s TYR 163 CO -0.01 0.04 0.74 0.27 -1.11 0.00 0.00 175.55 175.49 3ias n ASN 164 N -0.56 1.10 -0.32 2.29 0.23 -1.15 -4.93 115.26 111.92 3ias n ASN 164 Ca -0.04 -1.91 -0.04 0.00 -0.53 0.00 0.00 54.58 52.06 3ias n ASN 164 Cb 0.65 -0.47 0.08 0.00 -2.08 0.00 0.00 39.78 37.96 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 1.21 -0.11 -3.83 4.39 -2.02 -0.92 114.58 113.29 3ias h GLU 165 Ca -0.25 -0.15 0.03 0.00 0.34 0.00 0.00 59.36 59.34 3ias h GLU 165 Cb 0.93 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 3ias h GLU 165 CO 0.27 0.89 0.11 0.00 -1.16 0.00 0.00 179.01 179.12 3ias h ARG 166 N 1.21 0.00 0.00 2.33 3.08 -2.07 -3.46 114.38 115.47 3ias h ARG 166 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 3ias h ARG 166 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3ias h ARG 166 CO -0.05 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.26 3ias n GLY 167 N -1.43 1.59 3.88 0.04 0.00 -0.35 -5.11 105.19 103.82 3ias n GLY 167 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.48 3.61 0.24 1.61 2.02 -1.26 -4.87 118.70 119.57 3ias s GLU 168 Ca 0.00 -0.05 -0.30 0.00 0.02 0.00 0.00 54.97 54.64 3ias s GLU 168 Cb 0.00 -3.04 -0.09 0.00 0.10 0.00 0.00 34.13 31.10 3ias s GLU 168 CO 0.00 0.61 1.27 0.50 0.02 0.00 0.00 175.26 177.66 3ias s ARG 169 N -1.91 4.43 -0.17 1.61 3.52 -1.26 -2.94 118.95 122.22 3ias s ARG 169 Ca 0.30 2.04 -0.06 0.00 -0.13 0.00 0.00 55.73 57.88 3ias s ARG 169 Cb -0.13 -3.17 -0.03 0.00 -1.56 0.00 0.00 34.95 30.06 3ias s ARG 169 CO 0.18 -0.15 0.02 -0.51 -0.81 0.00 0.00 175.30 174.03 3ias s LEU 170 N -0.74 3.55 0.19 -0.88 1.43 -0.78 -4.99 118.68 116.47 3ias s LEU 170 Ca 0.53 -0.02 -0.33 0.00 -1.03 0.00 0.00 54.13 53.27 3ias s LEU 170 Cb -0.36 -1.88 -0.13 0.00 0.03 0.00 0.00 46.19 43.84 3ias s LEU 170 CO 0.42 0.16 1.56 -0.81 0.23 0.00 0.00 176.35 177.91 3ias n PRO 171 N 3.61 2.24 -0.01 1.29 -0.04 -1.26 -4.72 135.00 136.11 3ias n PRO 171 Ca -0.17 0.81 -0.01 0.00 -0.04 0.00 0.00 63.50 64.09 3ias n PRO 171 Cb 0.52 -2.56 0.27 0.00 -0.04 0.00 0.00 33.50 31.69 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 5.62 0.55 -6.18 0.54 0.11 -1.89 -3.43 132.00 127.33 3ias h PRO 172 Ca -0.45 -0.13 -0.67 0.00 0.11 0.00 0.00 66.00 64.87 3ias h PRO 172 Cb 1.25 -0.08 -0.15 0.00 0.11 0.00 0.00 31.00 32.14 3ias h PRO 172 CO 0.87 0.59 -0.66 0.08 -0.21 0.00 0.00 178.00 178.67 3ias s VAL 173 N -4.95 4.03 -1.01 3.15 1.01 -1.26 -4.58 120.40 116.80 3ias s VAL 173 Ca -0.08 -0.63 -0.21 0.00 0.00 0.00 0.00 61.98 61.07 3ias s VAL 173 Cb 0.15 -2.78 0.09 0.00 0.00 0.00 0.00 36.38 33.84 3ias s VAL 173 CO 0.77 0.39 1.33 0.00 0.00 0.00 0.00 175.10 177.59 3ias s ALA 174 N -1.06 3.07 0.00 5.51 0.00 -1.26 -5.13 121.76 122.90 3ias s ALA 174 Ca 0.19 -2.56 0.00 0.00 0.00 0.00 0.00 51.96 49.59 3ias s ALA 174 Cb -0.11 -4.32 0.00 0.00 0.00 0.00 0.00 23.12 18.69 3ias s ALA 174 CO 0.09 -3.30 0.00 0.00 0.00 0.00 0.00 175.76 172.55