#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ias n PRO 27 N 0.00 0.68 -0.08 2.98 -0.02 -1.26 -2.22 135.00 135.08 3ias n PRO 27 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.39 3ias n PRO 27 Cb 0.00 -1.00 -0.15 0.00 -0.02 0.00 0.00 33.50 32.33 3ias n PRO 27 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ias n ASP 28 N -0.50 0.22 -4.07 2.55 8.00 -1.26 -4.84 116.55 116.65 3ias n ASP 28 Ca 0.00 0.10 -0.32 0.00 0.71 0.00 0.00 54.79 55.28 3ias n ASP 28 Cb 0.00 0.76 -0.15 0.00 -0.02 0.00 0.00 41.12 41.71 3ias n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ias s ALA 29 N -2.55 2.45 0.40 2.24 0.00 -0.94 -5.11 121.76 118.24 3ias s ALA 29 Ca -0.09 -1.58 -0.23 0.00 0.00 0.00 0.00 51.96 50.07 3ias s ALA 29 Cb 0.07 -1.46 -0.13 0.00 0.00 0.00 0.00 23.12 21.60 3ias s ALA 29 CO 0.83 -0.95 0.56 -0.35 0.00 0.00 0.00 175.76 175.85 3ias n PRO 30 N 4.50 0.57 -2.82 0.00 -0.04 -1.26 -4.88 135.00 131.08 3ias n PRO 30 Ca -0.16 0.21 -0.38 0.00 -0.04 0.00 0.00 63.50 63.13 3ias n PRO 30 Cb 0.44 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.36 3ias n PRO 30 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3ias s VAL 31 N -1.43 4.20 -0.46 0.52 1.01 -0.67 -4.75 120.40 118.82 3ias s VAL 31 Ca 0.63 1.88 -0.12 0.00 0.00 0.00 0.00 61.98 64.37 3ias s VAL 31 Cb -0.63 -4.15 0.09 0.00 0.00 0.00 0.00 36.38 31.70 3ias s VAL 31 CO 0.58 0.34 0.35 0.00 0.00 0.00 0.00 175.10 176.38 3ias s ALA 32 N -1.37 3.44 0.39 5.51 0.00 -1.26 0.69 121.76 129.17 3ias s ALA 32 Ca 0.44 -2.29 -0.03 0.00 0.00 0.00 0.00 51.96 50.09 3ias s ALA 32 Cb -0.22 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 3ias s ALA 32 CO 0.27 -1.79 0.64 -0.51 0.00 0.00 0.00 175.76 174.38 3ias s LEU 33 N 1.50 3.87 0.77 0.00 1.02 -0.75 -4.97 118.68 120.12 3ias s LEU 33 Ca 0.04 0.68 -0.11 0.00 0.02 0.00 0.00 54.13 54.75 3ias s LEU 33 Cb -0.25 -3.57 0.05 0.00 0.02 0.00 0.00 46.19 42.44 3ias s LEU 33 CO 0.03 -0.39 1.09 -0.54 0.02 0.00 0.00 176.35 176.55 3ias s LYS 34 N -4.38 2.29 0.38 1.70 -0.14 -1.26 -4.37 119.74 113.96 3ias s LYS 34 Ca 0.43 0.75 0.06 0.00 -1.36 0.00 0.00 55.97 55.85 3ias s LYS 34 Cb -0.10 -1.93 0.76 0.00 -1.68 0.00 0.00 37.83 34.88 3ias s LYS 34 CO 0.39 -1.50 2.01 -1.00 -0.76 0.00 0.00 175.35 174.48 3ias h PRO 35 N -1.01 0.59 -0.07 -1.68 0.13 -1.98 -2.78 132.00 125.20 3ias h PRO 35 Ca -0.46 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3ias h PRO 35 Cb 1.25 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3ias h PRO 35 CO 0.58 0.44 0.00 -2.13 -0.23 0.00 0.00 178.00 176.66 3ias n ARG 36 N -4.42 1.40 -1.61 0.86 3.00 -1.26 -4.61 116.66 110.01 3ias n ARG 36 Ca 0.03 -0.59 -0.39 0.00 -0.00 0.00 0.00 57.85 56.90 3ias n ARG 36 Cb 0.10 -1.38 0.03 0.00 0.00 0.00 0.00 32.46 31.22 3ias n ARG 36 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3ias n PHE 37 N -0.21 0.97 -3.03 -0.14 7.35 -1.05 -4.93 117.46 116.42 3ias n PHE 37 Ca 0.16 0.48 -0.45 0.00 -0.76 0.00 0.00 57.45 56.89 3ias n PHE 37 Cb 0.22 -2.18 -0.02 0.00 0.35 0.00 0.00 39.48 37.85 3ias n PHE 37 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 3ias s HIS 38 N -1.42 3.41 0.54 -5.13 3.76 -1.26 -4.69 115.29 110.50 3ias s HIS 38 Ca 0.70 -1.77 0.04 0.00 -0.15 0.00 0.00 55.06 53.88 3ias s HIS 38 Cb -0.47 -4.17 0.03 0.00 1.11 0.00 0.00 32.58 29.07 3ias s HIS 38 CO 0.52 -1.34 0.30 0.20 -0.85 0.00 0.00 174.74 173.57 3ias s GLY 39 N 3.01 2.56 -0.05 -2.22 0.00 0.11 -4.96 107.32 105.78 3ias s GLY 39 Ca 0.32 -0.96 -0.33 0.00 0.00 0.00 0.00 44.72 43.76 3ias s GLY 39 CO -0.07 -2.02 0.91 -2.13 0.00 0.00 0.00 173.10 169.79 3ias n ARG 40 N -1.65 0.00 -1.78 2.90 0.63 -0.60 -1.76 116.66 114.40 3ias n ARG 40 Ca -0.07 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.46 3ias n ARG 40 Cb 0.65 -1.20 0.01 0.00 0.45 0.00 0.00 32.46 32.37 3ias n ARG 40 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3ias s HIS 41 N 0.31 2.51 -0.02 -0.14 3.76 -1.26 -0.85 115.29 119.60 3ias s HIS 41 Ca 0.74 1.19 0.07 0.00 -0.15 0.00 0.00 55.06 56.91 3ias s HIS 41 Cb -1.04 -4.01 -0.02 0.00 1.11 0.00 0.00 32.58 28.62 3ias s HIS 41 CO 0.48 -3.04 -0.24 0.14 -0.85 0.00 0.00 174.74 171.22 3ias s VAL 42 N -1.15 1.92 -0.22 -0.90 -7.23 0.64 -4.70 120.40 108.77 3ias s VAL 42 Ca 0.56 -1.04 -0.14 0.00 -1.81 0.00 0.00 61.98 59.55 3ias s VAL 42 Cb -0.46 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 3ias s VAL 42 CO 0.61 0.54 0.33 -0.76 -0.31 0.00 0.00 175.10 175.51 3ias s LEU 43 N -0.51 4.13 0.35 1.32 1.43 0.80 -1.66 118.68 124.54 3ias s LEU 43 Ca 0.08 0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.59 3ias s LEU 43 Cb -0.10 -2.39 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 3ias s LEU 43 CO -0.00 -0.05 0.52 0.42 0.23 0.00 0.00 176.35 177.47 3ias s THR 44 N 1.30 4.44 0.22 5.49 -4.23 -0.04 -1.35 115.64 121.46 3ias s THR 44 Ca 0.15 -0.78 0.10 0.00 -1.18 0.00 0.00 61.69 59.98 3ias s THR 44 Cb -0.14 -3.58 -0.05 0.00 1.34 0.00 0.00 72.50 70.07 3ias s THR 44 CO 0.07 -0.30 -0.18 -0.13 -0.54 0.00 0.00 174.62 173.54 3ias s ARG 45 N -4.26 1.47 0.84 3.99 0.52 -1.26 -1.27 118.95 118.97 3ias s ARG 45 Ca 0.43 -1.61 -0.12 0.00 -0.52 0.00 0.00 55.73 53.91 3ias s ARG 45 Cb -0.10 -1.47 0.10 0.00 0.52 0.00 0.00 34.95 34.00 3ias s ARG 45 CO 0.33 0.28 1.15 -1.01 0.02 0.00 0.00 175.30 176.07 3ias s HIS 46 N -2.49 2.80 0.36 -0.53 3.76 -0.42 -4.82 115.29 113.96 3ias s HIS 46 Ca 0.24 0.86 0.39 0.00 -0.15 0.00 0.00 55.06 56.39 3ias s HIS 46 Cb -0.04 -3.38 1.87 0.00 1.11 0.00 0.00 32.58 32.14 3ias s HIS 46 CO 0.10 -1.96 2.17 -1.35 -0.85 0.00 0.00 174.74 172.85 3ias h PRO 47 N -1.20 0.00 0.00 8.40 0.11 -1.98 -2.40 132.00 134.93 3ias h PRO 47 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3ias h PRO 47 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3ias h PRO 47 CO 0.64 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.52 3ias n ASN 48 N -3.08 0.49 0.00 -2.05 4.13 -1.26 -4.84 115.26 108.65 3ias n ASN 48 Ca -0.01 0.66 0.00 0.00 1.68 0.00 0.00 54.58 56.91 3ias n ASN 48 Cb 0.20 -0.75 0.00 0.00 -1.54 0.00 0.00 39.78 37.69 3ias n ASN 48 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ias n GLY 49 N -0.48 1.11 3.77 7.41 0.00 -0.90 -5.06 105.19 111.03 3ias n GLY 49 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3ias n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ias s LEU 50 N 0.00 4.18 0.19 0.99 2.01 -1.26 -4.84 118.68 119.95 3ias s LEU 50 Ca 0.00 2.50 -0.30 0.00 0.01 0.00 0.00 54.13 56.34 3ias s LEU 50 Cb 0.00 -3.99 -0.08 0.00 0.01 0.00 0.00 46.19 42.12 3ias s LEU 50 CO 0.00 -0.81 1.26 -1.61 1.01 0.00 0.00 176.35 176.19 3ias s GLU 51 N -2.32 4.43 0.45 1.70 2.02 0.61 -1.30 118.70 124.29 3ias s GLU 51 Ca 0.58 1.97 0.18 0.00 0.02 0.00 0.00 54.97 57.72 3ias s GLU 51 Cb -0.34 -3.22 1.05 0.00 0.10 0.00 0.00 34.13 31.72 3ias s GLU 51 CO 0.43 -0.18 1.95 0.87 0.02 0.00 0.00 175.26 178.36 3ias h LYS 52 N 5.35 0.00 -6.40 1.61 1.57 -1.50 -3.40 116.57 113.80 3ias h LYS 52 Ca -0.45 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.79 3ias h LYS 52 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 3ias h LYS 52 CO 0.76 0.23 0.61 0.00 -0.57 0.00 0.00 179.45 180.48 3ias n ILE 54 N 4.25 2.58 -3.75 0.00 -5.35 -1.26 -4.31 119.36 111.52 3ias n ILE 54 Ca 0.10 -2.58 -0.22 0.00 -0.27 0.00 0.00 62.75 59.77 3ias n ILE 54 Cb 0.47 -0.33 0.02 0.00 -1.74 0.00 0.00 39.64 38.06 3ias n ILE 54 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ias n GLY 55 N -1.06 -0.28 0.08 3.28 0.00 -1.26 -4.07 105.19 101.88 3ias n GLY 55 Ca 0.34 0.13 -0.01 0.00 0.00 0.00 0.00 46.02 46.48 3ias n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias n SER 57 N -2.73 -3.75 0.01 0.00 2.88 -1.26 -4.93 113.62 103.84 3ias n SER 57 Ca -0.16 0.05 -0.12 0.00 -1.33 0.00 0.00 58.87 57.31 3ias n SER 57 Cb 0.89 -1.43 -0.07 0.00 -0.75 0.00 0.00 64.21 62.85 3ias n SER 57 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3ias h LEU 58 N 0.00 0.03 -0.54 2.46 4.07 -1.94 -1.81 115.31 117.58 3ias h LEU 58 Ca -0.04 -0.15 0.11 0.00 0.08 0.00 0.00 57.88 57.88 3ias h LEU 58 Cb 0.30 -0.01 -0.10 0.00 1.08 0.00 0.00 40.66 41.93 3ias h LEU 58 CO 0.06 0.17 -0.14 0.00 -1.08 0.00 0.00 178.44 177.45 3ias h ALA 60 N 1.52 1.24 0.00 0.00 0.00 -1.86 -2.12 119.26 118.03 3ias h ALA 60 Ca 0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3ias h ALA 60 Cb 0.41 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ias h ALA 60 CO -0.57 0.59 -0.10 0.00 0.00 0.00 0.00 179.25 179.17 3ias h ALA 61 N 1.34 1.18 -0.02 0.00 0.00 -0.02 -2.61 119.26 119.13 3ias h ALA 61 Ca 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ias h ALA 61 Cb 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ias h ALA 61 CO -0.03 0.13 -0.16 0.00 0.00 0.00 0.00 179.25 179.18 3ias n ALA 62 N -2.22 2.88 -2.51 0.00 0.00 -0.52 -4.94 120.51 113.19 3ias n ALA 62 Ca -0.01 -0.54 -0.43 0.00 0.00 0.00 0.00 53.44 52.47 3ias n ALA 62 Cb 0.25 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 3ias n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ias n PRO 64 N 5.75 0.17 -0.01 0.00 -0.04 -1.26 -3.17 135.00 136.44 3ias n PRO 64 Ca 0.12 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 3ias n PRO 64 Cb 0.46 -1.78 0.01 0.00 -0.04 0.00 0.00 33.50 32.15 3ias n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ias n ALA 65 N -1.72 2.06 -3.84 0.55 0.00 -1.26 -5.00 120.51 111.30 3ias n ALA 65 Ca 0.03 -0.96 -0.26 0.00 0.00 0.00 0.00 53.44 52.25 3ias n ALA 65 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.69 3ias n ALA 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ias n TYR 66 N -0.39 -1.75 0.89 0.00 4.01 -1.19 -4.88 117.16 113.84 3ias n TYR 66 Ca 0.01 0.68 0.10 0.00 -0.16 0.00 0.00 57.90 58.53 3ias n TYR 66 Cb 0.23 -3.77 0.05 0.00 -0.31 0.00 0.00 39.34 35.54 3ias n TYR 66 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ias n ALA 67 N -4.33 2.88 -2.74 -0.72 0.00 -1.26 -4.93 120.51 109.41 3ias n ALA 67 Ca -0.25 -0.64 -0.30 0.00 0.00 0.00 0.00 53.44 52.25 3ias n ALA 67 Cb 0.66 -0.71 -0.16 0.00 0.00 0.00 0.00 19.45 19.24 3ias n ALA 67 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ias s ILE 68 N -1.98 1.88 -0.12 0.00 1.01 -1.26 -1.28 121.20 119.45 3ias s ILE 68 Ca 0.21 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.91 3ias s ILE 68 Cb 0.17 -1.59 0.01 0.00 0.01 0.00 0.00 42.46 41.06 3ias s ILE 68 CO 0.37 0.53 -0.21 -0.47 0.00 0.00 0.00 174.94 175.16 3ias s TYR 69 N -0.15 2.47 -0.12 3.97 6.14 -0.70 -4.84 117.35 124.11 3ias s TYR 69 Ca -0.02 -1.16 0.01 0.00 0.64 0.00 0.00 57.07 56.53 3ias s TYR 69 Cb -0.13 -1.69 0.02 0.00 0.42 0.00 0.00 41.96 40.59 3ias s TYR 69 CO 0.03 -0.52 -0.13 0.08 0.64 0.00 0.00 175.55 175.64 3ias s VAL 70 N 0.71 1.42 -0.27 3.14 1.01 -1.26 -1.69 120.40 123.46 3ias s VAL 70 Ca -0.10 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 3ias s VAL 70 Cb -0.16 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3ias s VAL 70 CO 0.01 0.43 0.14 -1.61 0.00 0.00 0.00 175.10 174.07 3ias s GLU 71 N 1.33 3.80 0.65 2.72 2.02 -0.13 -4.98 118.70 124.12 3ias s GLU 71 Ca 0.00 -0.40 -0.02 0.00 0.02 0.00 0.00 54.97 54.57 3ias s GLU 71 Cb -0.14 -3.52 0.08 0.00 0.10 0.00 0.00 34.13 30.65 3ias s GLU 71 CO -0.07 -0.20 0.92 -1.25 0.02 0.00 0.00 175.26 174.68 3ias s PRO 72 N 1.69 2.11 0.12 0.39 0.04 -1.26 -0.63 135.00 137.46 3ias s PRO 72 Ca 0.07 -0.79 -0.25 0.00 0.04 0.00 0.00 61.00 60.07 3ias s PRO 72 Cb -0.16 -2.35 0.08 0.00 0.04 0.00 0.00 34.50 32.11 3ias s PRO 72 CO 0.08 -1.13 0.72 0.00 0.04 0.00 0.00 177.00 176.71 3ias s ALA 73 N -3.03 -1.64 0.10 8.56 0.00 0.18 -4.49 121.76 121.44 3ias s ALA 73 Ca 0.62 0.57 -0.27 0.00 0.00 0.00 0.00 51.96 52.88 3ias s ALA 73 Cb -0.08 0.72 -0.06 0.00 0.00 0.00 0.00 23.12 23.70 3ias s ALA 73 CO 0.42 -0.78 0.84 -2.00 0.00 0.00 0.00 175.76 174.24 3ias s GLU 74 N -3.54 4.59 0.82 0.00 2.12 -1.26 -1.37 118.70 120.05 3ias s GLU 74 Ca 0.04 1.22 -0.11 0.00 0.36 0.00 0.00 54.97 56.48 3ias s GLU 74 Cb -0.01 -3.35 0.09 0.00 0.26 0.00 0.00 34.13 31.12 3ias s GLU 74 CO -0.09 0.32 1.13 -0.80 -0.54 0.00 0.00 175.26 175.28 3ias s ASN 75 N -0.29 3.84 -0.36 -1.70 0.01 -0.59 -4.87 114.94 110.98 3ias s ASN 75 Ca 0.41 2.07 -0.08 0.00 -0.71 0.00 0.00 52.86 54.55 3ias s ASN 75 Cb -0.22 -2.55 0.04 0.00 0.41 0.00 0.00 41.25 38.93 3ias s ASN 75 CO 0.26 -2.49 0.16 -0.62 -1.51 0.00 0.00 177.10 172.90 3ias s ASP 76 N -2.82 5.49 0.56 -1.22 -1.08 -1.25 -4.98 116.67 111.36 3ias s ASP 76 Ca 0.66 -1.16 0.29 0.00 -0.52 0.00 0.00 52.55 51.83 3ias s ASP 76 Cb -0.22 -1.93 1.46 0.00 -1.46 0.00 0.00 42.92 40.78 3ias s ASP 76 CO 0.54 -0.38 1.91 -0.65 0.52 0.00 0.00 175.17 177.11 3ias h PRO 77 N 8.31 0.00 0.24 4.34 0.11 -1.98 -0.47 132.00 142.56 3ias h PRO 77 Ca -0.24 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 3ias h PRO 77 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3ias h PRO 77 CO 0.64 0.00 -0.12 1.49 -0.21 0.00 0.00 178.00 179.81 3ias h GLU 78 N 0.00 -0.32 -3.52 1.05 4.57 -2.04 -3.40 114.58 110.92 3ias h GLU 78 Ca 0.32 0.02 -0.69 0.00 -1.18 0.00 0.00 59.36 57.82 3ias h GLU 78 Cb 1.40 0.07 -0.36 0.00 -0.16 0.00 0.00 28.75 29.70 3ias h GLU 78 CO -0.00 -0.04 -0.34 1.21 -1.18 0.00 0.00 179.01 178.66 3ias s ASN 79 N -5.26 5.28 1.16 1.04 2.47 -0.23 -5.09 114.94 114.30 3ias s ASN 79 Ca -0.09 -2.99 -0.11 0.00 0.42 0.00 0.00 52.86 50.09 3ias s ASN 79 Cb 0.00 -1.85 0.16 0.00 -1.45 0.00 0.00 41.25 38.12 3ias s ASN 79 CO 0.32 -0.34 0.52 -0.81 -3.72 0.00 0.00 177.10 173.07 3ias n PRO 80 N 3.30 -2.49 0.00 0.43 -0.04 -0.90 -3.96 135.00 131.33 3ias n PRO 80 Ca 0.10 -0.84 0.00 0.00 -0.04 0.00 0.00 63.50 62.72 3ias n PRO 80 Cb 0.37 -0.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 3ias n PRO 80 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3ias n VAL 81 N -3.91 0.00 -4.49 0.52 0.31 -1.26 -4.87 118.33 104.64 3ias n VAL 81 Ca 0.07 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.16 3ias n VAL 81 Cb 0.30 -0.18 -0.08 0.00 -0.91 0.00 0.00 33.84 32.96 3ias n VAL 81 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3ias s SER 82 N -3.15 2.62 0.05 4.52 1.04 -1.26 -0.28 113.70 117.24 3ias s SER 82 Ca 0.00 -1.64 -0.11 0.00 0.48 0.00 0.00 55.95 54.68 3ias s SER 82 Cb 0.00 0.45 -0.31 0.00 0.10 0.00 0.00 66.02 66.26 3ias s SER 82 CO 0.00 -0.91 1.08 0.00 0.98 0.00 0.00 173.24 174.39 3ias h ALA 83 N 1.86 -0.03 -3.00 5.32 0.00 -1.87 -3.47 119.26 118.07 3ias h ALA 83 Ca -0.35 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 53.70 3ias h ALA 83 Cb 1.27 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3ias h ALA 83 CO 0.57 0.80 0.00 0.41 0.00 0.00 0.00 179.25 181.03 3ias n GLY 84 N 1.58 -3.25 0.30 0.00 0.00 -1.26 -4.87 105.19 97.68 3ias n GLY 84 Ca -0.13 -1.29 0.14 0.00 0.00 0.00 0.00 46.02 44.75 3ias n GLY 84 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3ias n GLU 85 N -1.43 1.33 -4.22 1.61 0.28 -1.26 -4.82 120.64 112.13 3ias n GLU 85 Ca 0.00 -0.59 -0.17 0.00 -0.16 0.00 0.00 57.16 56.24 3ias n GLU 85 Cb 0.00 -1.49 -0.14 0.00 1.43 0.00 0.00 31.44 31.24 3ias n GLU 85 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 3ias s ARG 86 N -2.08 0.52 0.20 3.44 3.52 -1.26 -1.54 118.95 121.74 3ias s ARG 86 Ca 0.39 -0.24 -0.02 0.00 -0.13 0.00 0.00 55.73 55.73 3ias s ARG 86 Cb 0.21 -0.49 -0.04 0.00 -1.56 0.00 0.00 34.95 33.07 3ias s ARG 86 CO 0.37 0.13 0.14 1.52 -0.81 0.00 0.00 175.30 176.66 3ias s TYR 87 N -0.19 1.09 -0.64 5.12 -0.85 -0.47 -4.38 117.35 117.04 3ias s TYR 87 Ca 0.02 -1.33 -0.20 0.00 -0.52 0.00 0.00 57.07 55.04 3ias s TYR 87 Cb -0.03 -0.51 0.10 0.00 0.38 0.00 0.00 41.96 41.90 3ias s TYR 87 CO -0.00 -0.65 0.81 0.00 -1.52 0.00 0.00 175.55 174.19 3ias s ALA 88 N -4.14 3.33 0.07 9.51 0.00 -1.26 -0.65 121.76 128.62 3ias s ALA 88 Ca 0.37 -2.16 -0.25 0.00 0.00 0.00 0.00 51.96 49.92 3ias s ALA 88 Cb 0.07 -3.66 -0.16 0.00 0.00 0.00 0.00 23.12 19.36 3ias s ALA 88 CO 0.11 -2.52 1.65 -0.22 0.00 0.00 0.00 175.76 174.78 3ias h LYS 89 N 9.26 -0.13 -5.20 0.00 3.64 -1.10 -3.41 116.57 119.63 3ias h LYS 89 Ca -0.26 0.01 -0.65 0.00 -1.27 0.00 0.00 60.65 58.47 3ias h LYS 89 Cb 1.08 0.03 -0.33 0.00 -0.41 0.00 0.00 32.23 32.59 3ias h LYS 89 CO 1.12 -0.02 -0.87 0.08 -2.27 0.00 0.00 179.45 177.49 3ias s VAL 90 N -5.88 1.92 -0.22 2.00 1.01 -0.24 -4.99 120.40 114.00 3ias s VAL 90 Ca -0.14 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 3ias s VAL 90 Cb 0.05 -1.68 0.07 0.00 0.00 0.00 0.00 36.38 34.83 3ias s VAL 90 CO 0.65 0.53 0.07 -0.47 0.00 0.00 0.00 175.10 175.88 3ias s TYR 91 N 0.46 0.88 -0.03 5.22 5.04 -1.26 -0.96 117.35 126.70 3ias s TYR 91 Ca -0.17 -0.91 0.05 0.00 -2.44 0.00 0.00 57.07 53.60 3ias s TYR 91 Cb -0.17 -1.06 -0.01 0.00 0.35 0.00 0.00 41.96 41.07 3ias s TYR 91 CO 0.07 -0.67 -0.17 -1.21 -1.34 0.00 0.00 175.55 172.22 3ias s GLU 92 N 1.91 1.60 -0.17 4.97 2.02 -0.68 -2.60 118.70 125.75 3ias s GLU 92 Ca 0.03 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.41 3ias s GLU 92 Cb -0.17 -1.45 0.04 0.00 0.10 0.00 0.00 34.13 32.65 3ias s GLU 92 CO -0.16 0.30 -0.09 0.42 0.02 0.00 0.00 175.26 175.76 3ias s ILE 93 N -0.16 1.35 -1.02 -1.63 1.01 -0.72 -1.73 121.20 118.31 3ias s ILE 93 Ca 0.01 -0.72 -0.23 0.00 0.00 0.00 0.00 60.65 59.71 3ias s ILE 93 Cb -0.09 -1.44 -0.00 0.00 0.01 0.00 0.00 42.46 40.93 3ias s ILE 93 CO 0.01 0.22 1.74 0.21 0.00 0.00 0.00 174.94 177.12 3ias s ASN 94 N 1.54 5.80 0.00 3.58 3.84 -0.40 -1.20 114.94 128.10 3ias s ASN 94 Ca 0.01 -1.26 0.00 0.00 0.21 0.00 0.00 52.86 51.82 3ias s ASN 94 Cb -0.15 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 37.98 3ias s ASN 94 CO -0.08 -2.17 0.83 0.23 -2.79 0.00 0.00 177.10 173.11 3ias n MET 95 N 8.75 0.00 -0.07 0.43 2.81 -0.99 -1.45 117.12 126.60 3ias n MET 95 Ca 0.39 0.34 -0.09 0.00 -1.81 0.00 0.00 57.70 56.53 3ias n MET 95 Cb 0.48 -1.57 -0.08 0.00 -0.71 0.00 0.00 33.22 31.35 3ias n MET 95 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3ias h LEU 96 N 0.00 0.00 -1.25 4.03 3.38 -1.88 -3.36 115.31 116.23 3ias h LEU 96 Ca 0.00 -0.55 0.03 0.00 0.09 0.00 0.00 57.88 57.45 3ias h LEU 96 Cb 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3ias h LEU 96 CO 0.00 0.85 0.52 0.03 0.09 0.00 0.00 178.44 179.94 3ias h ARG 97 N -1.00 0.96 -6.47 1.13 -0.00 -1.64 -3.44 114.38 103.92 3ias h ARG 97 Ca -0.03 -0.06 -0.58 0.00 -0.50 0.00 0.00 59.98 58.81 3ias h ARG 97 Cb 0.65 -0.22 0.05 0.00 0.00 0.00 0.00 29.97 30.45 3ias h ARG 97 CO -0.02 0.63 0.91 0.00 0.00 0.00 0.00 179.97 181.50 3ias n ILE 99 N 3.97 0.00 -3.19 0.00 0.13 -1.26 -4.99 119.36 114.02 3ias n ILE 99 Ca 0.18 -0.08 -0.05 0.00 -1.10 0.00 0.00 62.75 61.70 3ias n ILE 99 Cb 0.30 0.87 0.01 0.00 -0.84 0.00 0.00 39.64 39.98 3ias n ILE 99 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 3ias n PHE 100 N -1.05 -2.79 -0.07 9.51 3.01 -1.26 -4.97 117.46 119.83 3ias n PHE 100 Ca 0.06 1.06 -0.15 0.00 1.01 0.00 0.00 57.45 59.44 3ias n PHE 100 Cb 0.37 -3.92 -0.14 0.00 -0.01 0.00 0.00 39.48 35.78 3ias n PHE 100 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ias n GLY 102 N 1.91 0.06 0.17 0.00 0.00 -1.26 -4.91 105.19 101.16 3ias n GLY 102 Ca -0.33 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 3ias n GLY 102 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ias h LEU 103 N -0.56 0.56 -0.13 0.99 3.38 -1.94 -3.07 115.31 114.53 3ias h LEU 103 Ca -0.26 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.29 3ias h LEU 103 Cb 1.18 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3ias h LEU 103 CO 0.29 1.17 0.02 0.00 0.09 0.00 0.00 178.44 180.00 3ias h GLU 105 N -0.00 0.49 0.02 0.00 4.81 -1.74 -1.22 114.58 116.94 3ias h GLU 105 Ca 0.04 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3ias h GLU 105 Cb 0.30 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3ias h GLU 105 CO 0.00 0.32 -0.01 1.49 -0.73 0.00 0.00 179.01 180.08 3ias h GLU 106 N 0.50 -0.03 -0.12 1.92 4.81 -1.24 -3.26 114.58 117.16 3ias h GLU 106 Ca 0.35 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.46 3ias h GLU 106 Cb 0.67 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 3ias h GLU 106 CO -0.12 0.47 -0.44 0.00 -0.73 0.00 0.00 179.01 178.19 3ias h ALA 107 N 0.40 1.03 -1.55 2.92 0.00 -0.45 -3.45 119.26 118.15 3ias h ALA 107 Ca -0.00 -0.44 -0.71 0.00 0.00 0.00 0.00 54.91 53.76 3ias h ALA 107 Cb 0.52 -0.09 0.05 0.00 0.00 0.00 0.00 17.79 18.26 3ias h ALA 107 CO 0.01 0.62 0.45 0.00 0.00 0.00 0.00 179.25 180.33 3ias n PRO 109 N 2.74 2.30 0.00 0.00 -0.04 -1.26 -4.16 135.00 134.59 3ias n PRO 109 Ca 0.20 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.67 3ias n PRO 109 Cb 0.16 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 3ias n PRO 109 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3ias n THR 110 N 1.17 0.00 -1.62 0.52 -2.24 -1.26 -5.02 114.28 105.84 3ias n THR 110 Ca 0.19 -0.06 -0.02 0.00 -2.27 0.00 0.00 64.05 61.88 3ias n THR 110 Cb 0.52 0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 69.29 3ias n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ias n GLY 111 N 2.21 0.40 0.26 3.38 0.00 -1.26 -4.96 105.19 105.21 3ias n GLY 111 Ca 0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 3ias n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias h ALA 112 N 0.06 -0.58 -2.38 4.61 0.00 -1.89 -3.43 119.26 115.66 3ias h ALA 112 Ca -0.05 -0.17 -0.59 0.00 0.00 0.00 0.00 54.91 54.10 3ias h ALA 112 Cb 0.65 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 3ias h ALA 112 CO 0.07 -0.58 0.35 -1.50 0.00 0.00 0.00 179.25 177.59 3ias s ILE 113 N -3.85 4.90 0.04 0.00 1.10 -1.26 -0.86 121.20 121.27 3ias s ILE 113 Ca -0.11 1.45 0.03 0.00 -0.51 0.00 0.00 60.65 61.51 3ias s ILE 113 Cb 0.01 -4.06 -0.02 0.00 0.15 0.00 0.00 42.46 38.54 3ias s ILE 113 CO 0.36 -0.01 -0.09 -0.69 -2.11 0.00 0.00 174.94 172.40 3ias s VAL 114 N 2.51 0.67 -0.25 4.00 1.01 -0.67 -4.25 120.40 123.41 3ias s VAL 114 Ca 0.33 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 3ias s VAL 114 Cb -0.16 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.55 3ias s VAL 114 CO 0.09 -0.24 1.05 -0.76 0.00 0.00 0.00 175.10 175.23 3ias s LEU 115 N -1.33 4.06 0.00 3.92 1.43 -1.26 -0.26 118.68 125.23 3ias s LEU 115 Ca -0.06 1.29 0.00 0.00 -1.03 0.00 0.00 54.13 54.33 3ias s LEU 115 Cb -0.09 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.60 3ias s LEU 115 CO 0.01 -0.72 0.00 0.61 0.23 0.00 0.00 176.35 176.47 3ias n GLY 116 N 3.47 -0.71 0.03 -3.19 0.00 -0.03 -4.49 105.19 100.27 3ias n GLY 116 Ca 0.12 -1.46 -0.04 0.00 0.00 0.00 0.00 46.02 44.65 3ias n GLY 116 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ias n TYR 117 N -0.12 0.00 -1.43 1.61 4.01 -1.26 -0.71 117.16 119.26 3ias n TYR 117 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 3ias n TYR 117 Cb 0.00 -0.24 0.03 0.00 -0.31 0.00 0.00 39.34 38.83 3ias n TYR 117 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3ias n ASP 118 N -2.52 -1.40 0.00 7.72 9.92 -1.26 -4.51 116.55 124.50 3ias n ASP 118 Ca -0.10 0.72 0.00 0.00 -0.53 0.00 0.00 54.79 54.88 3ias n ASP 118 Cb 0.63 -1.13 0.00 0.00 -0.64 0.00 0.00 41.12 39.98 3ias n ASP 118 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 3ias n PHE 119 N -1.68 0.00 -2.28 1.24 1.16 -1.26 -1.55 117.46 113.08 3ias n PHE 119 Ca 0.11 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.28 3ias n PHE 119 Cb 0.47 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.33 3ias n PHE 119 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 3ias n GLU 120 N 0.00 2.83 -0.49 3.97 1.02 -1.26 -4.51 120.64 122.20 3ias n GLU 120 Ca 0.00 -2.97 0.02 0.00 -0.02 0.00 0.00 57.16 54.19 3ias n GLU 120 Cb 0.00 -3.47 0.02 0.00 -0.02 0.00 0.00 31.44 27.98 3ias n GLU 120 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ias n MET 121 N 7.88 0.21 -1.74 3.49 0.00 -1.26 -4.59 117.12 121.10 3ias n MET 121 Ca 0.49 -1.31 -0.42 0.00 0.00 0.00 0.00 57.70 56.46 3ias n MET 121 Cb 0.44 -0.63 -0.01 0.00 0.00 0.00 0.00 33.22 33.02 3ias n MET 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3ias n ALA 122 N -0.20 2.40 -3.35 3.17 0.00 -1.26 -4.84 120.51 116.44 3ias n ALA 122 Ca 0.03 0.37 -0.06 0.00 0.00 0.00 0.00 53.44 53.78 3ias n ALA 122 Cb 0.72 -2.44 -0.02 0.00 0.00 0.00 0.00 19.45 17.70 3ias n ALA 122 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3ias n ASP 123 N 1.98 -0.20 -0.06 0.00 -0.08 -1.26 -4.84 116.55 112.09 3ias n ASP 123 Ca 0.08 -1.61 -0.06 0.00 -1.51 0.00 0.00 54.79 51.69 3ias n ASP 123 Cb 0.36 0.47 -0.02 0.00 2.34 0.00 0.00 41.12 44.28 3ias n ASP 123 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 3ias n TYR 124 N -0.18 0.00 -3.44 -0.67 4.01 -1.26 -4.96 117.16 110.66 3ias n TYR 124 Ca 0.02 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.39 3ias n TYR 124 Cb 0.17 -0.34 -0.07 0.00 -0.31 0.00 0.00 39.34 38.79 3ias n TYR 124 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3ias s GLU 125 N -2.42 4.28 0.13 -0.72 2.02 -1.26 -4.99 118.70 115.74 3ias s GLU 125 Ca -0.20 0.24 -0.22 0.00 0.02 0.00 0.00 54.97 54.81 3ias s GLU 125 Cb 0.03 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.79 3ias s GLU 125 CO 0.30 0.18 1.16 0.98 0.02 0.00 0.00 175.26 177.90 3ias n TYR 126 N 3.70 -0.29 0.32 1.61 4.19 -1.26 -0.01 117.16 125.43 3ias n TYR 126 Ca -0.10 0.94 0.09 0.00 3.31 0.00 0.00 57.90 62.15 3ias n TYR 126 Cb 0.52 -0.58 0.42 0.00 0.49 0.00 0.00 39.34 40.19 3ias n TYR 126 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 3ias n SER 127 N -4.96 0.44 0.00 2.98 7.64 -1.26 -1.20 113.62 117.25 3ias n SER 127 Ca 0.02 0.64 0.12 0.00 1.01 0.00 0.00 58.87 60.66 3ias n SER 127 Cb 0.21 -0.72 0.63 0.00 -1.01 0.00 0.00 64.21 63.32 3ias n SER 127 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3ias n ASP 128 N -2.01 0.00 -0.74 6.43 8.00 0.99 -3.54 116.55 125.68 3ias n ASP 128 Ca 0.01 -0.18 0.11 0.00 0.71 0.00 0.00 54.79 55.44 3ias n ASP 128 Cb 0.15 -0.24 0.06 0.00 -0.02 0.00 0.00 41.12 41.07 3ias n ASP 128 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3ias n LEU 129 N -1.24 2.52 -4.62 0.64 4.77 -0.34 -4.81 117.00 113.91 3ias n LEU 129 Ca 0.13 -0.91 -0.43 0.00 -0.03 0.00 0.00 56.01 54.77 3ias n LEU 129 Cb 0.17 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 3ias n LEU 129 CO 0.18 0.44 0.79 0.54 -1.33 0.00 0.00 177.39 178.00 3ias s VAL 130 N -2.03 4.61 -0.00 4.08 0.11 -1.23 -2.36 120.40 123.59 3ias s VAL 130 Ca 0.23 1.39 -0.26 0.00 -2.93 0.00 0.00 61.98 60.40 3ias s VAL 130 Cb 0.18 -4.32 -0.04 0.00 -1.53 0.00 0.00 36.38 30.67 3ias s VAL 130 CO 0.37 -0.44 0.83 -0.31 -3.33 0.00 0.00 175.10 172.21 3ias s TYR 131 N 3.41 3.66 0.76 1.54 1.51 -0.34 -4.85 117.35 123.04 3ias s TYR 131 Ca 0.39 1.50 -0.03 0.00 -1.01 0.00 0.00 57.07 57.92 3ias s TYR 131 Cb -0.13 -2.93 0.14 0.00 -0.11 0.00 0.00 41.96 38.94 3ias s TYR 131 CO 0.16 0.11 1.05 0.20 -1.11 0.00 0.00 175.55 175.96 3ias s GLY 132 N 0.58 1.76 0.11 0.71 0.00 -1.26 -1.75 107.32 107.48 3ias s GLY 132 Ca 0.43 -1.69 -0.25 0.00 0.00 0.00 0.00 44.72 43.21 3ias s GLY 132 CO 0.23 -1.08 1.66 1.70 0.00 0.00 0.00 173.10 175.61 3ias h LYS 133 N -0.71 -0.34 0.00 2.90 3.64 -1.89 -1.37 116.57 118.80 3ias h LYS 133 Ca -0.37 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 3ias h LYS 133 Cb 1.26 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 3ias h LYS 133 CO 0.39 -0.22 0.00 -0.85 -2.27 0.00 0.00 179.45 176.50 3ias n GLU 134 N -5.32 0.87 0.00 1.90 0.00 -1.26 -1.56 120.64 115.26 3ias n GLU 134 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.21 3ias n GLU 134 Cb 0.24 -1.10 0.10 0.00 0.00 0.00 0.00 31.44 30.68 3ias n GLU 134 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3ias n ASP 135 N -0.60 0.68 0.00 -1.84 8.00 -0.52 -4.60 116.55 117.67 3ias n ASP 135 Ca 0.04 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.05 3ias n ASP 135 Cb 0.02 0.57 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 3ias n ASP 135 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3ias n MET 136 N -1.57 3.57 -1.00 -1.24 2.81 -0.60 -4.88 117.12 114.21 3ias n MET 136 Ca 0.05 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.59 3ias n MET 136 Cb 0.35 -0.44 0.10 0.00 -0.71 0.00 0.00 33.22 32.52 3ias n MET 136 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3ias n LEU 137 N -0.66 0.20 -0.04 4.03 4.32 -1.07 -0.14 117.00 123.65 3ias n LEU 137 Ca 0.00 0.44 0.00 0.00 -0.02 0.00 0.00 56.01 56.43 3ias n LEU 137 Cb 0.00 -1.21 0.30 0.00 -1.62 0.00 0.00 43.42 40.89 3ias n LEU 137 CO 0.00 -3.43 1.00 -0.37 -1.22 0.00 0.00 177.39 173.37 3ias h VAL 138 N -1.04 1.19 0.00 4.08 -1.51 -1.58 -2.77 116.25 114.61 3ias h VAL 138 Ca -0.44 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.37 3ias h VAL 138 Cb 1.31 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 3ias h VAL 138 CO 0.38 0.24 0.00 -0.90 -1.23 0.00 0.00 177.57 176.06 3ias n ASP 139 N -4.32 1.47 -4.57 4.19 5.75 -1.26 -4.64 116.55 113.17 3ias n ASP 139 Ca 0.03 -1.48 -0.32 0.00 -0.01 0.00 0.00 54.79 53.01 3ias n ASP 139 Cb 0.20 -0.37 -0.11 0.00 -1.03 0.00 0.00 41.12 39.81 3ias n ASP 139 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3ias s VAL 140 N -0.38 3.49 -0.16 2.12 0.11 -1.05 -5.11 120.40 119.42 3ias s VAL 140 Ca 0.00 -0.89 0.01 0.00 -2.93 0.00 0.00 61.98 58.17 3ias s VAL 140 Cb 0.00 -2.53 0.02 0.00 -1.53 0.00 0.00 36.38 32.35 3ias s VAL 140 CO 0.00 0.35 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.26 3ias s VAL 141 N -1.01 1.79 0.00 2.04 1.01 -1.26 -4.96 120.40 118.01 3ias s VAL 141 Ca 0.17 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3ias s VAL 141 Cb -0.11 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.62 3ias s VAL 141 CO 0.08 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3ias n GLY 142 N 4.69 -2.29 3.96 4.51 0.00 -1.26 -4.74 105.19 110.06 3ias n GLY 142 Ca -0.19 -1.66 -0.23 0.00 0.00 0.00 0.00 46.02 43.94 3ias n GLY 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ias s THR 143 N -0.33 1.84 0.14 2.61 -4.23 -1.26 -4.89 115.64 109.52 3ias s THR 143 Ca 0.00 -1.28 -0.19 0.00 -1.18 0.00 0.00 61.69 59.04 3ias s THR 143 Cb 0.00 -2.11 0.01 0.00 1.34 0.00 0.00 72.50 71.74 3ias s THR 143 CO 0.00 0.00 1.69 0.50 -0.54 0.00 0.00 174.62 176.27 3ias h LYS 144 N 0.48 -0.02 -0.06 3.99 3.64 -1.90 -0.95 116.57 121.76 3ias h LYS 144 Ca -0.33 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 58.86 3ias h LYS 144 Cb 1.30 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.13 3ias h LYS 144 CO 0.50 -0.01 -0.68 -1.00 -2.27 0.00 0.00 179.45 175.99 3ias h PRO 145 N -0.02 0.56 -0.77 1.90 0.13 -1.88 -2.60 132.00 129.32 3ias h PRO 145 Ca 0.13 -0.53 0.13 0.00 -0.87 0.00 0.00 66.00 64.86 3ias h PRO 145 Cb 0.21 0.13 -0.09 0.00 0.13 0.00 0.00 31.00 31.38 3ias h PRO 145 CO -0.28 1.15 0.36 1.96 -0.23 0.00 0.00 178.00 180.96 3ias h GLN 146 N 0.16 0.53 0.15 0.86 4.20 -1.78 -1.89 115.11 117.34 3ias h GLN 146 Ca -0.07 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 3ias h GLN 146 Cb 1.34 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 29.00 3ias h GLN 146 CO 0.14 0.35 -0.07 0.00 -0.67 0.00 0.00 178.83 178.57 3ias h ARG 147 N 0.55 -0.20 -1.05 1.46 3.08 -1.26 -2.91 114.38 114.06 3ias h ARG 147 Ca 0.41 0.01 0.28 0.00 0.07 0.00 0.00 59.98 60.76 3ias h ARG 147 Cb 0.56 0.05 -0.12 0.00 0.08 0.00 0.00 29.97 30.54 3ias h ARG 147 CO -0.35 0.20 0.65 -0.09 -1.07 0.00 0.00 179.97 179.31 3ias h ARG 148 N -0.67 0.41 0.20 0.04 2.43 -1.03 0.16 114.38 115.92 3ias h ARG 148 Ca -0.02 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3ias h ARG 148 Cb 0.49 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3ias h ARG 148 CO 0.03 0.27 -0.10 1.49 -1.51 0.00 0.00 179.97 180.16 3ias h GLU 149 N 0.42 -0.26 0.00 0.20 4.81 -1.39 -2.87 114.58 115.49 3ias h GLU 149 Ca 0.65 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.90 3ias h GLU 149 Cb 1.54 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.98 3ias h GLU 149 CO -0.42 0.11 0.00 0.00 -0.73 0.00 0.00 179.01 177.97 3ias n ALA 150 N -2.45 1.64 -0.04 2.92 0.00 0.37 -1.46 120.51 121.49 3ias n ALA 150 Ca -0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.31 3ias n ALA 150 Cb 0.25 -1.09 -0.00 0.00 0.00 0.00 0.00 19.45 18.61 3ias n ALA 150 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3ias h LYS 151 N 0.00 0.00 0.00 0.00 1.63 -0.77 -3.13 116.57 114.30 3ias h LYS 151 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3ias h LYS 151 Cb 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 3ias h LYS 151 CO 0.00 0.00 0.00 2.89 -3.45 0.00 0.00 179.45 178.89 3ias n ARG 152 N -3.85 0.67 -0.11 1.90 1.85 -1.08 -3.43 116.66 112.61 3ias n ARG 152 Ca -0.02 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.61 3ias n ARG 152 Cb 0.06 -1.48 -0.12 0.00 -1.05 0.00 0.00 32.46 29.87 3ias n ARG 152 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 3ias n THR 153 N -0.98 1.56 -0.83 8.89 -1.04 -0.54 -5.00 114.28 116.34 3ias n THR 153 Ca 0.16 -0.47 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 3ias n THR 153 Cb 0.07 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 66.90 3ias n THR 153 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ias n GLY 154 N 1.82 0.57 3.15 3.41 0.00 -1.18 -5.04 105.19 107.92 3ias n GLY 154 Ca -0.45 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 3ias n GLY 154 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ias s LYS 155 N -0.41 3.03 0.95 1.61 2.47 -1.26 -5.09 119.74 121.04 3ias s LYS 155 Ca 0.00 -0.83 -0.18 0.00 -1.56 0.00 0.00 55.97 53.40 3ias s LYS 155 Cb 0.00 -2.54 -0.01 0.00 -1.46 0.00 0.00 37.83 33.82 3ias s LYS 155 CO 0.00 -0.13 -0.52 -2.30 0.16 0.00 0.00 175.35 172.56 3ias n PRO 156 N 4.40 -0.90 -3.35 4.03 -0.02 -1.26 -4.48 135.00 133.42 3ias n PRO 156 Ca -0.20 -0.26 -0.42 0.00 -2.02 0.00 0.00 63.50 60.59 3ias n PRO 156 Cb 0.51 -1.28 -0.09 0.00 -0.02 0.00 0.00 33.50 32.62 3ias n PRO 156 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3ias s VAL 157 N -2.07 5.12 -0.76 -1.45 -7.23 -1.26 -4.90 120.40 107.84 3ias s VAL 157 Ca 0.35 -0.28 -0.19 0.00 -1.81 0.00 0.00 61.98 60.05 3ias s VAL 157 Cb -0.00 -3.98 0.12 0.00 0.56 0.00 0.00 36.38 33.07 3ias s VAL 157 CO 0.49 -0.34 0.93 -0.54 -0.31 0.00 0.00 175.10 175.32 3ias s LYS 158 N 2.08 3.32 0.01 4.82 1.02 -1.26 -4.99 119.74 124.74 3ias s LYS 158 Ca 0.11 -1.49 -0.30 0.00 0.02 0.00 0.00 55.97 54.31 3ias s LYS 158 Cb -0.17 -4.52 -0.07 0.00 -0.52 0.00 0.00 37.83 32.56 3ias s LYS 158 CO 0.13 -1.67 1.60 0.14 -0.92 0.00 0.00 175.35 174.63 3ias s VAL 159 N 2.75 3.38 0.00 3.17 -7.23 -1.26 -4.90 120.40 116.31 3ias s VAL 159 Ca 0.22 0.70 0.00 0.00 -1.81 0.00 0.00 61.98 61.09 3ias s VAL 159 Cb -0.14 -3.45 0.00 0.00 0.56 0.00 0.00 36.38 33.35 3ias s VAL 159 CO -0.00 -0.02 0.97 0.61 -0.31 0.00 0.00 175.10 176.34 3ias n GLY 160 N 3.97 1.70 3.19 2.32 0.00 -1.26 -4.81 105.19 110.30 3ias n GLY 160 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 3ias n GLY 160 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ias s TYR 161 N 0.25 0.42 0.05 1.61 -0.85 -1.26 -1.67 117.35 115.91 3ias s TYR 161 Ca 0.00 -0.87 -0.08 0.00 -0.52 0.00 0.00 57.07 55.60 3ias s TYR 161 Cb 0.00 -0.23 -0.00 0.00 0.38 0.00 0.00 41.96 42.11 3ias s TYR 161 CO 0.00 -0.52 0.16 0.14 -1.52 0.00 0.00 175.55 173.81 3ias s VAL 162 N -3.93 0.13 0.14 -3.49 -7.23 0.22 -4.63 120.40 101.61 3ias s VAL 162 Ca 0.11 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 3ias s VAL 162 Cb 0.06 -1.05 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 3ias s VAL 162 CO -0.07 -0.59 0.03 0.68 -0.31 0.00 0.00 175.10 174.84 3ias s VAL 163 N -3.00 0.33 0.16 1.32 -7.23 -0.54 -1.81 120.40 109.64 3ias s VAL 163 Ca -0.02 -1.93 -0.13 0.00 -1.81 0.00 0.00 61.98 58.09 3ias s VAL 163 Cb 0.01 -2.03 0.05 0.00 0.56 0.00 0.00 36.38 34.98 3ias s VAL 163 CO -0.06 -0.52 1.73 1.55 -0.31 0.00 0.00 175.10 177.49 3ias h PRO 164 N 2.83 0.78 -2.72 4.82 0.13 -1.80 -3.29 132.00 132.76 3ias h PRO 164 Ca -0.36 -0.13 0.06 0.00 -0.87 0.00 0.00 66.00 64.71 3ias h PRO 164 Cb 1.20 -0.13 -0.11 0.00 0.13 0.00 0.00 31.00 32.08 3ias h PRO 164 CO 0.61 0.66 0.33 1.52 -0.23 0.00 0.00 178.00 180.89 3ias s TYR 165 N -5.64 -0.35 0.22 1.56 -0.85 -1.26 -4.58 117.35 106.44 3ias s TYR 165 Ca -0.13 0.09 -0.30 0.00 -0.52 0.00 0.00 57.07 56.21 3ias s TYR 165 Cb 0.12 0.60 -0.08 0.00 0.38 0.00 0.00 41.96 42.98 3ias s TYR 165 CO 0.78 -0.86 1.05 0.14 -1.52 0.00 0.00 175.55 175.14 3ias s VAL 166 N -3.56 3.84 0.75 -3.49 -7.23 -1.26 -4.74 120.40 104.71 3ias s VAL 166 Ca 0.06 1.71 -0.15 0.00 -1.81 0.00 0.00 61.98 61.79 3ias s VAL 166 Cb -0.02 -4.09 -0.00 0.00 0.56 0.00 0.00 36.38 32.82 3ias s VAL 166 CO -0.05 0.35 0.78 0.54 -0.31 0.00 0.00 175.10 176.41 3ias n ARG 167 N 1.86 0.33 -0.30 4.82 1.74 -1.26 -4.89 116.66 118.96 3ias n ARG 167 Ca 0.00 0.17 -0.04 0.00 -0.77 0.00 0.00 57.85 57.21 3ias n ARG 167 Cb 0.46 -2.06 0.08 0.00 -1.02 0.00 0.00 32.46 29.91 3ias n ARG 167 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3ias h PRO 168 N -0.46 1.06 0.00 5.56 0.11 -1.98 -3.15 132.00 133.14 3ias h PRO 168 Ca -0.46 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3ias h PRO 168 Cb 1.33 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3ias h PRO 168 CO 0.44 0.70 -0.04 0.93 -0.21 0.00 0.00 178.00 179.83 3ias h GLU 169 N 1.10 0.00 -1.28 1.05 3.07 -2.00 -2.02 114.58 114.50 3ias h GLU 169 Ca 0.30 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.81 3ias h GLU 169 Cb -0.12 0.00 -0.17 0.00 -0.84 0.00 0.00 28.75 27.62 3ias h GLU 169 CO -0.07 0.04 0.45 1.28 -1.40 0.00 0.00 179.01 179.31 3ias n LEU 170 N -4.25 6.12 -4.61 1.33 4.77 -1.19 -4.96 117.00 114.20 3ias n LEU 170 Ca -0.03 -3.19 -0.43 0.00 -0.03 0.00 0.00 56.01 52.33 3ias n LEU 170 Cb 0.12 -0.92 -0.03 0.00 -2.33 0.00 0.00 43.42 40.26 3ias n LEU 170 CO 0.32 1.10 1.77 1.21 -1.33 0.00 0.00 177.39 180.47 3ias n GLU 171 N -0.07 2.21 0.00 3.23 4.07 -0.76 -0.97 120.64 128.36 3ias n GLU 171 Ca 0.35 0.69 0.00 0.00 -0.06 0.00 0.00 57.16 58.14 3ias n GLU 171 Cb 0.80 -3.13 0.00 0.00 -0.06 0.00 0.00 31.44 29.05 3ias n GLU 171 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ias n GLY 172 N 5.39 0.71 3.56 8.31 0.00 -1.26 -4.71 105.19 117.19 3ias n GLY 172 Ca 0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 3ias n GLY 172 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ias s PHE 173 N -0.99 1.82 -0.12 1.61 5.36 -0.14 -4.88 117.98 120.63 3ias s PHE 173 Ca 0.00 0.66 -0.29 0.00 -0.96 0.00 0.00 56.93 56.34 3ias s PHE 173 Cb 0.00 -4.18 -0.01 0.00 -0.34 0.00 0.00 43.02 38.49 3ias s PHE 173 CO 0.00 -2.34 1.05 0.15 -1.46 0.00 0.00 175.22 172.63 3ias s LYS 174 N 6.49 4.37 0.13 10.12 1.02 -1.26 -4.96 119.74 135.66 3ias s LYS 174 Ca 0.65 1.44 -0.13 0.00 0.02 0.00 0.00 55.97 57.95 3ias s LYS 174 Cb -0.14 -3.57 0.02 0.00 -0.52 0.00 0.00 37.83 33.62 3ias s LYS 174 CO 0.23 -0.41 0.34 0.00 -0.92 0.00 0.00 175.35 174.59 3ias s ALA 175 N 2.32 -0.58 -0.50 5.17 0.00 -1.26 -5.02 121.76 121.88 3ias s ALA 175 Ca 0.49 -0.37 -0.26 0.00 0.00 0.00 0.00 51.96 51.82 3ias s ALA 175 Cb -0.19 0.68 -0.06 0.00 0.00 0.00 0.00 23.12 23.56 3ias s ALA 175 CO 0.16 -0.63 2.29 -1.25 0.00 0.00 0.00 175.76 176.34 3ias s PRO 176 N -3.86 2.24 0.00 0.00 0.04 -1.26 -4.84 135.00 127.33 3ias s PRO 176 Ca 0.07 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.38 3ias s PRO 176 Cb 0.03 -4.54 0.00 0.00 0.04 0.00 0.00 34.50 30.03 3ias s PRO 176 CO -0.09 -3.13 0.78 0.25 0.04 0.00 0.00 177.00 174.86 3ias n THR 177 N 7.83 0.58 0.05 1.26 -2.24 -1.26 -1.47 114.28 119.03 3ias n THR 177 Ca 0.33 -0.77 0.02 0.00 -2.27 0.00 0.00 64.05 61.36 3ias n THR 177 Cb 0.54 0.73 0.11 0.00 -2.10 0.00 0.00 70.33 69.60 3ias n THR 177 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ias n GLU 178 N -0.29 0.03 -0.93 -0.78 1.02 -1.26 -4.51 120.64 113.91 3ias n GLU 178 Ca 0.00 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 3ias n GLU 178 Cb 0.16 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 3ias n GLU 178 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72