#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 0.77 -0.06 2.98 -0.02 -1.26 -2.54 135.00 134.87 3ias n PRO 27 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 3ias n PRO 27 Cb 0.00 -1.01 -0.15 0.00 -0.02 0.00 0.00 33.50 32.32 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 -0.49 0.25 -4.04 2.55 8.00 -1.26 -4.84 116.55 116.73 3ias n ASP 28 Ca 0.00 0.12 -0.32 0.00 0.71 0.00 0.00 54.79 55.30 3ias n ASP 28 Cb 0.00 0.80 -0.15 0.00 -0.02 0.00 0.00 41.12 41.75 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 -2.64 2.35 0.45 2.24 0.00 -1.05 -5.11 121.76 117.99 3ias s ALA 29 Ca -0.08 -1.56 -0.21 0.00 0.00 0.00 0.00 51.96 50.11 3ias s ALA 29 Cb 0.07 -1.48 -0.13 0.00 0.00 0.00 0.00 23.12 21.58 3ias s ALA 29 CO 0.83 -1.07 0.31 -0.35 0.00 0.00 0.00 175.76 175.49 3ias n PRO 30 N 4.53 0.30 -3.04 0.00 -0.04 -1.26 -4.89 135.00 130.60 3ias n PRO 30 Ca -0.14 0.11 -0.37 0.00 -0.04 0.00 0.00 63.50 63.06 3ias n PRO 30 Cb 0.44 -1.31 -0.06 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.64 4.49 -0.47 0.52 1.01 -0.63 -4.77 120.40 118.91 3ias s VAL 31 Ca 0.62 1.45 -0.11 0.00 0.00 0.00 0.00 61.98 63.93 3ias s VAL 31 Cb -0.58 -3.95 0.10 0.00 0.00 0.00 0.00 36.38 31.95 3ias s VAL 31 CO 0.60 0.30 0.35 0.00 0.00 0.00 0.00 175.10 176.35 3ias s ALA 32 N -1.42 3.43 0.44 5.51 0.00 -1.26 0.27 121.76 128.74 3ias s ALA 32 Ca 0.41 -2.34 -0.03 0.00 0.00 0.00 0.00 51.96 50.01 3ias s ALA 32 Cb -0.19 -2.89 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 3ias s ALA 32 CO 0.23 -1.81 0.71 -0.51 0.00 0.00 0.00 175.76 174.37 3ias s LEU 33 N 1.47 3.73 0.79 0.00 1.02 -0.83 -4.97 118.68 119.89 3ias s LEU 33 Ca 0.04 0.71 -0.12 0.00 0.02 0.00 0.00 54.13 54.78 3ias s LEU 33 Cb -0.25 -3.62 0.06 0.00 0.02 0.00 0.00 46.19 42.40 3ias s LEU 33 CO 0.02 -0.53 1.10 -0.54 0.02 0.00 0.00 176.35 176.42 3ias s LYS 34 N -4.61 2.16 0.36 1.70 -0.14 -1.26 -4.39 119.74 113.56 3ias s LYS 34 Ca 0.45 0.56 0.04 0.00 -1.36 0.00 0.00 55.97 55.67 3ias s LYS 34 Cb -0.10 -1.93 0.69 0.00 -1.68 0.00 0.00 37.83 34.81 3ias s LYS 34 CO 0.41 -1.55 1.99 -1.00 -0.76 0.00 0.00 175.35 174.45 3ias h PRO 35 N -1.04 0.68 -0.07 -1.68 0.13 -1.98 -2.92 132.00 125.13 3ias h PRO 35 Ca -0.47 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 3ias h PRO 35 Cb 1.27 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3ias h PRO 35 CO 0.61 0.50 0.00 -2.13 -0.23 0.00 0.00 178.00 176.74 3ias n ARG 36 N -4.41 1.37 -1.59 0.86 3.00 -1.26 -4.61 116.66 110.02 3ias n ARG 36 Ca 0.04 -0.55 -0.38 0.00 -0.00 0.00 0.00 57.85 56.95 3ias n ARG 36 Cb 0.09 -1.38 0.04 0.00 0.00 0.00 0.00 32.46 31.21 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 -0.25 0.62 -3.17 -0.14 7.35 -1.10 -4.94 117.46 115.82 3ias n PHE 37 Ca 0.17 0.46 -0.46 0.00 -0.76 0.00 0.00 57.45 56.86 3ias n PHE 37 Cb 0.21 -2.12 -0.03 0.00 0.35 0.00 0.00 39.48 37.89 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 -1.51 3.40 0.51 -5.13 3.76 -1.26 -4.69 115.29 110.37 3ias s HIS 38 Ca 0.72 -1.58 0.04 0.00 -0.15 0.00 0.00 55.06 54.09 3ias s HIS 38 Cb -0.45 -3.99 0.00 0.00 1.11 0.00 0.00 32.58 29.25 3ias s HIS 38 CO 0.50 -1.19 0.18 0.20 -0.85 0.00 0.00 174.74 173.58 3ias s GLY 39 N 2.95 2.68 0.01 -2.22 0.00 -0.10 -4.96 107.32 105.68 3ias s GLY 39 Ca 0.20 -0.98 -0.32 0.00 0.00 0.00 0.00 44.72 43.62 3ias s GLY 39 CO -0.05 -2.06 0.86 -2.13 0.00 0.00 0.00 173.10 169.71 3ias n ARG 40 N -1.45 0.00 -1.79 2.90 0.63 -0.47 -1.66 116.66 114.83 3ias n ARG 40 Ca -0.10 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.42 3ias n ARG 40 Cb 0.66 -1.21 0.00 0.00 0.45 0.00 0.00 32.46 32.36 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 -0.05 2.53 -0.01 -0.14 3.76 -1.26 -0.78 115.29 119.34 3ias s HIS 41 Ca 0.74 1.18 0.08 0.00 -0.15 0.00 0.00 55.06 56.91 3ias s HIS 41 Cb -1.03 -4.01 -0.02 0.00 1.11 0.00 0.00 32.58 28.63 3ias s HIS 41 CO 0.47 -3.03 -0.25 0.14 -0.85 0.00 0.00 174.74 171.22 3ias s VAL 42 N -1.14 1.96 -0.23 -0.90 -7.23 0.40 -4.71 120.40 108.55 3ias s VAL 42 Ca 0.55 -1.10 -0.12 0.00 -1.81 0.00 0.00 61.98 59.49 3ias s VAL 42 Cb -0.46 -1.64 -0.05 0.00 0.56 0.00 0.00 36.38 34.80 3ias s VAL 42 CO 0.62 0.51 0.24 -0.76 -0.31 0.00 0.00 175.10 175.40 3ias s LEU 43 N -0.69 4.12 0.39 1.32 1.43 0.42 -1.48 118.68 124.19 3ias s LEU 43 Ca 0.10 0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.45 3ias s LEU 43 Cb -0.10 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.88 3ias s LEU 43 CO -0.00 0.01 0.57 0.42 0.23 0.00 0.00 176.35 177.58 3ias s THR 44 N 1.22 4.21 0.24 5.49 -4.23 0.22 -1.39 115.64 121.39 3ias s THR 44 Ca 0.11 -0.69 0.10 0.00 -1.18 0.00 0.00 61.69 60.03 3ias s THR 44 Cb -0.14 -3.52 -0.05 0.00 1.34 0.00 0.00 72.50 70.13 3ias s THR 44 CO 0.06 -0.30 -0.18 -0.13 -0.54 0.00 0.00 174.62 173.53 3ias s ARG 45 N -4.37 1.52 0.83 3.99 0.52 -1.26 -1.33 118.95 118.85 3ias s ARG 45 Ca 0.45 -1.66 -0.12 0.00 -0.52 0.00 0.00 55.73 53.88 3ias s ARG 45 Cb -0.10 -1.52 0.09 0.00 0.52 0.00 0.00 34.95 33.94 3ias s ARG 45 CO 0.35 0.28 1.16 -1.01 0.02 0.00 0.00 175.30 176.11 3ias s HIS 46 N -2.56 2.85 0.35 -0.53 3.76 -0.46 -4.82 115.29 113.89 3ias s HIS 46 Ca 0.26 0.80 0.39 0.00 -0.15 0.00 0.00 55.06 56.35 3ias s HIS 46 Cb -0.04 -3.45 1.84 0.00 1.11 0.00 0.00 32.58 32.05 3ias s HIS 46 CO 0.11 -1.91 2.16 -1.35 -0.85 0.00 0.00 174.74 172.90 3ias h PRO 47 N -1.16 0.00 0.00 8.40 0.11 -1.98 -2.28 132.00 135.10 3ias h PRO 47 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ias h PRO 47 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3ias h PRO 47 CO 0.65 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.53 3ias n ASN 48 N -3.09 0.27 0.00 -2.05 4.13 -1.26 -4.84 115.26 108.42 3ias n ASN 48 Ca -0.01 0.58 0.00 0.00 1.68 0.00 0.00 54.58 56.83 3ias n ASN 48 Cb 0.20 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 37.81 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 -0.47 1.31 3.77 7.41 0.00 -0.86 -5.05 105.19 111.30 3ias n GLY 49 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 3.94 0.09 0.99 2.01 -1.26 -4.84 118.68 119.61 3ias s LEU 50 Ca 0.00 2.35 -0.30 0.00 0.01 0.00 0.00 54.13 56.18 3ias s LEU 50 Cb 0.00 -4.31 -0.06 0.00 0.01 0.00 0.00 46.19 41.83 3ias s LEU 50 CO 0.00 -1.07 1.19 -1.61 1.01 0.00 0.00 176.35 175.86 3ias s GLU 51 N -2.84 4.46 0.51 1.70 2.02 0.86 -1.35 118.70 124.06 3ias s GLU 51 Ca 0.66 1.78 0.20 0.00 0.02 0.00 0.00 54.97 57.64 3ias s GLU 51 Cb -0.29 -3.32 1.35 0.00 0.10 0.00 0.00 34.13 31.96 3ias s GLU 51 CO 0.35 -0.19 2.11 0.87 0.02 0.00 0.00 175.26 178.42 3ias h LYS 52 N 6.39 0.00 -6.33 1.61 1.57 -1.52 -3.40 116.57 114.89 3ias h LYS 52 Ca -0.42 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.81 3ias h LYS 52 Cb 1.21 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 3ias h LYS 52 CO 0.79 0.08 0.59 0.00 -0.57 0.00 0.00 179.45 180.34 3ias n ILE 54 N 4.41 2.88 -3.91 0.00 -5.35 -1.26 -4.29 119.36 111.83 3ias n ILE 54 Ca 0.09 -2.50 -0.29 0.00 -0.27 0.00 0.00 62.75 59.78 3ias n ILE 54 Cb 0.48 -0.46 -0.00 0.00 -1.74 0.00 0.00 39.64 37.92 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 -1.11 -0.49 0.07 3.28 0.00 -1.26 -4.12 105.19 101.56 3ias n GLY 55 Ca 0.46 0.25 -0.01 0.00 0.00 0.00 0.00 46.02 46.72 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 -2.62 -3.41 -0.05 0.00 2.88 -1.26 -4.93 113.62 104.23 3ias n SER 57 Ca -0.19 0.02 -0.11 0.00 -1.33 0.00 0.00 58.87 57.26 3ias n SER 57 Cb 0.90 -0.99 -0.05 0.00 -0.75 0.00 0.00 64.21 63.32 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 0.25 -0.55 2.46 4.07 -1.95 -1.83 115.31 117.76 3ias h LEU 58 Ca -0.02 -0.22 0.11 0.00 0.08 0.00 0.00 57.88 57.83 3ias h LEU 58 Cb 0.16 -0.07 -0.10 0.00 1.08 0.00 0.00 40.66 41.74 3ias h LEU 58 CO 0.03 0.40 -0.03 0.00 -1.08 0.00 0.00 178.44 177.76 3ias h ALA 60 N 1.51 1.15 0.00 0.00 0.00 -1.86 -2.15 119.26 117.92 3ias h ALA 60 Ca 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3ias h ALA 60 Cb 0.44 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3ias h ALA 60 CO -0.49 0.58 -0.08 0.00 0.00 0.00 0.00 179.25 179.26 3ias h ALA 61 N 1.28 1.13 -0.02 0.00 0.00 0.00 -2.37 119.26 119.28 3ias h ALA 61 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ias h ALA 61 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ias h ALA 61 CO -0.01 0.10 -0.15 0.00 0.00 0.00 0.00 179.25 179.20 3ias n ALA 62 N -2.19 2.83 -2.52 0.00 0.00 -0.61 -4.94 120.51 113.07 3ias n ALA 62 Ca -0.01 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.41 3ias n ALA 62 Cb 0.24 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 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 4.69 0.12 -0.01 0.00 -0.04 -1.26 -3.43 135.00 135.07 3ias n PRO 64 Ca 0.09 0.24 0.01 0.00 -0.04 0.00 0.00 63.50 63.81 3ias n PRO 64 Cb 0.47 -1.69 0.01 0.00 -0.04 0.00 0.00 33.50 32.26 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 -1.65 1.95 -3.85 0.55 0.00 -1.26 -5.00 120.51 111.25 3ias n ALA 65 Ca 0.04 -1.12 -0.26 0.00 0.00 0.00 0.00 53.44 52.10 3ias n ALA 65 Cb 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.55 -1.75 0.84 0.00 4.01 -1.22 -4.88 117.16 113.62 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 0.31 -3.76 0.07 0.00 -0.31 0.00 0.00 39.34 35.65 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 -4.34 2.64 -2.80 -0.72 0.00 -1.26 -4.93 120.51 109.11 3ias n ALA 67 Ca -0.25 -0.64 -0.30 0.00 0.00 0.00 0.00 53.44 52.24 3ias n ALA 67 Cb 0.66 -0.68 -0.16 0.00 0.00 0.00 0.00 19.45 19.27 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 -1.78 1.84 -0.11 0.00 1.01 -1.26 -1.39 121.20 119.51 3ias s ILE 68 Ca 0.22 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.95 3ias s ILE 68 Cb 0.16 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 41.08 3ias s ILE 68 CO 0.30 0.52 -0.20 -0.47 0.00 0.00 0.00 174.94 175.08 3ias s TYR 69 N -0.09 2.33 -0.11 3.97 6.14 -0.70 -4.82 117.35 124.05 3ias s TYR 69 Ca -0.04 -1.04 0.01 0.00 0.64 0.00 0.00 57.07 56.64 3ias s TYR 69 Cb -0.13 -1.60 0.02 0.00 0.42 0.00 0.00 41.96 40.67 3ias s TYR 69 CO 0.03 -0.47 -0.12 0.08 0.64 0.00 0.00 175.55 175.71 3ias s VAL 70 N 0.65 1.33 -0.26 3.14 1.01 -1.26 -1.62 120.40 123.39 3ias s VAL 70 Ca -0.12 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 3ias s VAL 70 Cb -0.16 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 3ias s VAL 70 CO 0.03 0.41 0.10 -1.61 0.00 0.00 0.00 175.10 174.03 3ias s GLU 71 N 1.27 3.72 0.68 2.72 2.02 -0.15 -4.98 118.70 123.98 3ias s GLU 71 Ca -0.02 -0.44 -0.03 0.00 0.02 0.00 0.00 54.97 54.50 3ias s GLU 71 Cb -0.14 -3.42 0.08 0.00 0.10 0.00 0.00 34.13 30.76 3ias s GLU 71 CO -0.05 -0.19 0.95 -1.25 0.02 0.00 0.00 175.26 174.74 3ias s PRO 72 N 1.65 2.04 0.09 0.39 0.04 -1.26 -0.71 135.00 137.23 3ias s PRO 72 Ca 0.06 -0.69 -0.25 0.00 0.04 0.00 0.00 61.00 60.16 3ias s PRO 72 Cb -0.15 -2.30 0.08 0.00 0.04 0.00 0.00 34.50 32.17 3ias s PRO 72 CO 0.06 -1.22 0.70 0.00 0.04 0.00 0.00 177.00 176.58 3ias s ALA 73 N -3.11 -1.69 0.13 8.56 0.00 0.28 -4.49 121.76 121.45 3ias s ALA 73 Ca 0.62 0.73 -0.29 0.00 0.00 0.00 0.00 51.96 53.02 3ias s ALA 73 Cb -0.08 0.65 -0.07 0.00 0.00 0.00 0.00 23.12 23.62 3ias s ALA 73 CO 0.43 -0.71 0.91 -2.00 0.00 0.00 0.00 175.76 174.40 3ias s GLU 74 N -3.32 4.69 0.88 0.00 2.12 -1.26 -1.11 118.70 120.69 3ias s GLU 74 Ca 0.01 1.37 -0.10 0.00 0.36 0.00 0.00 54.97 56.61 3ias s GLU 74 Cb -0.01 -3.35 0.12 0.00 0.26 0.00 0.00 34.13 31.16 3ias s GLU 74 CO -0.10 0.32 1.12 -0.80 -0.54 0.00 0.00 175.26 175.26 3ias s ASN 75 N -0.34 3.40 -0.35 -1.70 0.01 -0.29 -4.86 114.94 110.81 3ias s ASN 75 Ca 0.43 1.99 -0.07 0.00 -0.71 0.00 0.00 52.86 54.50 3ias s ASN 75 Cb -0.23 -2.51 0.04 0.00 0.41 0.00 0.00 41.25 38.95 3ias s ASN 75 CO 0.29 -2.76 0.14 -0.62 -1.51 0.00 0.00 177.10 172.64 3ias s ASP 76 N -2.96 5.42 0.55 -1.22 -1.08 -1.25 -4.98 116.67 111.15 3ias s ASP 76 Ca 0.65 -1.18 0.29 0.00 -0.52 0.00 0.00 52.55 51.79 3ias s ASP 76 Cb -0.21 -1.91 1.46 0.00 -1.46 0.00 0.00 42.92 40.81 3ias s ASP 76 CO 0.58 -0.36 1.92 -0.65 0.52 0.00 0.00 175.17 177.17 3ias h PRO 77 N 8.27 0.00 0.28 4.34 0.11 -1.98 -0.03 132.00 143.00 3ias h PRO 77 Ca -0.23 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 3ias h PRO 77 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3ias h PRO 77 CO 0.63 0.00 -0.14 1.49 -0.21 0.00 0.00 178.00 179.78 3ias h GLU 78 N 0.00 -0.36 -3.51 1.05 4.57 -2.04 -3.40 114.58 110.88 3ias h GLU 78 Ca 0.31 0.02 -0.69 0.00 -1.18 0.00 0.00 59.36 57.82 3ias h GLU 78 Cb 1.34 0.08 -0.36 0.00 -0.16 0.00 0.00 28.75 29.65 3ias h GLU 78 CO -0.00 -0.11 -0.35 1.21 -1.18 0.00 0.00 179.01 178.58 3ias s ASN 79 N -5.18 5.26 1.19 1.04 2.47 -0.07 -5.09 114.94 114.55 3ias s ASN 79 Ca -0.09 -3.00 -0.14 0.00 0.42 0.00 0.00 52.86 50.05 3ias s ASN 79 Cb 0.01 -1.85 0.20 0.00 -1.45 0.00 0.00 41.25 38.16 3ias s ASN 79 CO 0.30 -0.33 0.67 -0.81 -3.72 0.00 0.00 177.10 173.21 3ias n PRO 80 N 3.27 -2.66 0.00 0.43 -0.04 -0.92 -3.95 135.00 131.14 3ias n PRO 80 Ca 0.10 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.48 3ias n PRO 80 Cb 0.37 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 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 -4.16 0.00 -4.48 0.52 0.31 -1.26 -4.88 118.33 104.38 3ias n VAL 81 Ca 0.09 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.18 3ias n VAL 81 Cb 0.38 -0.19 -0.08 0.00 -0.91 0.00 0.00 33.84 33.03 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 -3.25 2.60 0.06 4.52 1.04 -1.26 -0.10 113.70 117.30 3ias s SER 82 Ca 0.00 -1.68 -0.10 0.00 0.48 0.00 0.00 55.95 54.65 3ias s SER 82 Cb 0.00 0.51 -0.32 0.00 0.10 0.00 0.00 66.02 66.31 3ias s SER 82 CO 0.00 -0.94 1.08 0.00 0.98 0.00 0.00 173.24 174.35 3ias h ALA 83 N 1.85 -0.02 -3.00 5.32 0.00 -1.87 -3.47 119.26 118.07 3ias h ALA 83 Ca -0.34 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 53.70 3ias h ALA 83 Cb 1.27 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3ias h ALA 83 CO 0.54 0.84 0.00 0.41 0.00 0.00 0.00 179.25 181.04 3ias n GLY 84 N 1.61 -3.19 0.23 0.00 0.00 -1.26 -4.87 105.19 97.72 3ias n GLY 84 Ca -0.12 -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 -1.28 1.07 -4.26 1.61 0.28 -1.26 -4.81 120.64 111.98 3ias n GLU 85 Ca 0.00 -0.47 -0.18 0.00 -0.16 0.00 0.00 57.16 56.35 3ias n GLU 85 Cb 0.00 -1.49 -0.15 0.00 1.43 0.00 0.00 31.44 31.23 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 -2.26 0.63 0.22 3.44 3.52 -1.26 -1.13 118.95 122.11 3ias s ARG 86 Ca 0.34 -0.24 -0.00 0.00 -0.13 0.00 0.00 55.73 55.70 3ias s ARG 86 Cb 0.20 -0.61 -0.04 0.00 -1.56 0.00 0.00 34.95 32.94 3ias s ARG 86 CO 0.42 0.12 0.12 1.52 -0.81 0.00 0.00 175.30 176.67 3ias s TYR 87 N 0.00 1.30 -0.61 5.12 -0.85 -0.27 -4.32 117.35 117.71 3ias s TYR 87 Ca 0.00 -1.32 -0.21 0.00 -0.52 0.00 0.00 57.07 55.03 3ias s TYR 87 Cb -0.05 -0.68 0.08 0.00 0.38 0.00 0.00 41.96 41.70 3ias s TYR 87 CO -0.00 -0.54 0.83 0.00 -1.52 0.00 0.00 175.55 174.32 3ias s ALA 88 N -4.01 3.26 0.05 9.51 0.00 -1.26 -0.55 121.76 128.75 3ias s ALA 88 Ca 0.39 -1.96 -0.25 0.00 0.00 0.00 0.00 51.96 50.13 3ias s ALA 88 Cb 0.07 -3.68 -0.17 0.00 0.00 0.00 0.00 23.12 19.35 3ias s ALA 88 CO 0.13 -2.52 1.53 -0.22 0.00 0.00 0.00 175.76 174.68 3ias h LYS 89 N 9.35 -0.12 -5.18 0.00 3.64 -1.15 -3.42 116.57 119.69 3ias h LYS 89 Ca -0.29 0.01 -0.66 0.00 -1.27 0.00 0.00 60.65 58.44 3ias h LYS 89 Cb 1.08 0.03 -0.34 0.00 -0.41 0.00 0.00 32.23 32.59 3ias h LYS 89 CO 1.13 0.08 -0.87 0.08 -2.27 0.00 0.00 179.45 177.60 3ias s VAL 90 N -5.42 1.96 -0.21 2.00 1.01 -0.39 -4.99 120.40 114.36 3ias s VAL 90 Ca -0.14 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 60.87 3ias s VAL 90 Cb 0.04 -1.72 0.07 0.00 0.00 0.00 0.00 36.38 34.77 3ias s VAL 90 CO 0.65 0.53 0.05 -0.47 0.00 0.00 0.00 175.10 175.86 3ias s TYR 91 N 0.61 1.01 -0.02 5.22 5.04 -1.26 -0.98 117.35 126.97 3ias s TYR 91 Ca -0.13 -0.94 0.05 0.00 -2.44 0.00 0.00 57.07 53.62 3ias s TYR 91 Cb -0.17 -1.08 -0.01 0.00 0.35 0.00 0.00 41.96 41.05 3ias s TYR 91 CO 0.03 -0.65 -0.17 -1.21 -1.34 0.00 0.00 175.55 172.20 3ias s GLU 92 N 1.86 1.46 -0.15 4.97 2.02 -0.64 -2.61 118.70 125.60 3ias s GLU 92 Ca 0.01 -0.62 -0.00 0.00 0.02 0.00 0.00 54.97 54.38 3ias s GLU 92 Cb -0.17 -1.39 0.03 0.00 0.10 0.00 0.00 34.13 32.70 3ias s GLU 92 CO -0.12 0.36 -0.09 0.42 0.02 0.00 0.00 175.26 175.85 3ias s ILE 93 N -0.35 1.31 -1.08 -1.63 1.01 -0.68 -1.73 121.20 118.05 3ias s ILE 93 Ca 0.05 -0.61 -0.22 0.00 0.00 0.00 0.00 60.65 59.87 3ias s ILE 93 Cb -0.07 -1.35 0.01 0.00 0.01 0.00 0.00 42.46 41.05 3ias s ILE 93 CO -0.00 0.28 1.71 0.21 0.00 0.00 0.00 174.94 177.14 3ias s ASN 94 N 1.57 6.01 0.00 3.58 3.84 -0.49 -1.08 114.94 128.37 3ias s ASN 94 Ca 0.03 -1.51 0.00 0.00 0.21 0.00 0.00 52.86 51.59 3ias s ASN 94 Cb -0.14 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 37.99 3ias s ASN 94 CO -0.09 -1.99 0.79 0.23 -2.79 0.00 0.00 177.10 173.26 3ias n MET 95 N 8.68 0.00 -0.08 0.43 2.81 -0.95 -0.86 117.12 127.15 3ias n MET 95 Ca 0.40 0.31 -0.16 0.00 -1.81 0.00 0.00 57.70 56.45 3ias n MET 95 Cb 0.48 -1.59 -0.11 0.00 -0.71 0.00 0.00 33.22 31.30 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 -1.33 4.03 3.38 -1.88 -3.36 115.31 116.15 3ias h LEU 96 Ca 0.00 -0.67 -0.02 0.00 0.09 0.00 0.00 57.88 57.28 3ias h LEU 96 Cb 0.17 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3ias h LEU 96 CO 0.00 1.14 0.26 0.03 0.09 0.00 0.00 178.44 179.96 3ias h ARG 97 N -1.00 0.72 -6.51 1.13 -0.00 -1.39 -3.44 114.38 103.89 3ias h ARG 97 Ca -0.14 -0.08 -0.56 0.00 -0.50 0.00 0.00 59.98 58.70 3ias h ARG 97 Cb 1.02 -0.14 0.05 0.00 0.00 0.00 0.00 29.97 30.90 3ias h ARG 97 CO -0.08 0.55 0.96 0.00 0.00 0.00 0.00 179.97 181.40 3ias n ILE 99 N 4.09 0.00 -3.21 0.00 0.13 -1.26 -4.98 119.36 114.12 3ias n ILE 99 Ca 0.18 -0.10 -0.06 0.00 -1.10 0.00 0.00 62.75 61.67 3ias n ILE 99 Cb 0.32 0.77 0.00 0.00 -0.84 0.00 0.00 39.64 39.90 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 -0.91 -2.77 -0.09 9.51 3.01 -1.26 -4.97 117.46 119.97 3ias n PHE 100 Ca 0.08 1.06 -0.15 0.00 1.01 0.00 0.00 57.45 59.45 3ias n PHE 100 Cb 0.37 -3.86 -0.14 0.00 -0.01 0.00 0.00 39.48 35.84 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 1.98 0.10 0.11 0.00 0.00 -1.26 -4.90 105.19 101.21 3ias n GLY 102 Ca -0.37 -0.36 -0.06 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.61 0.10 -0.12 0.99 3.38 -1.93 -3.07 115.31 114.04 3ias h LEU 103 Ca -0.25 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 3ias h LEU 103 Cb 1.17 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 3ias h LEU 103 CO 0.27 0.90 -0.08 0.00 0.09 0.00 0.00 178.44 179.62 3ias h GLU 105 N -0.10 0.57 -0.02 0.00 4.81 -1.74 -1.60 114.58 116.51 3ias h GLU 105 Ca 0.02 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3ias h GLU 105 Cb 0.56 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3ias h GLU 105 CO 0.02 0.38 -0.03 1.49 -0.73 0.00 0.00 179.01 180.14 3ias h GLU 106 N 0.59 0.05 -0.23 1.92 4.81 -1.34 -3.25 114.58 117.13 3ias h GLU 106 Ca 0.34 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.44 3ias h GLU 106 Cb 0.52 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3ias h GLU 106 CO -0.12 0.60 -0.26 0.00 -0.73 0.00 0.00 179.01 178.50 3ias h ALA 107 N 0.45 1.12 -1.64 2.92 0.00 -0.59 -3.45 119.26 118.07 3ias h ALA 107 Ca 0.00 -0.34 -0.68 0.00 0.00 0.00 0.00 54.91 53.88 3ias h ALA 107 Cb 0.60 -0.12 0.06 0.00 0.00 0.00 0.00 17.79 18.33 3ias h ALA 107 CO 0.01 0.55 0.40 0.00 0.00 0.00 0.00 179.25 180.21 3ias n PRO 109 N 2.35 2.23 0.00 0.00 -0.04 -1.26 -4.22 135.00 134.06 3ias n PRO 109 Ca 0.18 -1.85 0.00 0.00 -0.04 0.00 0.00 63.50 61.79 3ias n PRO 109 Cb 0.19 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 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 1.08 0.00 -1.72 0.52 -2.24 -1.26 -5.01 114.28 105.65 3ias n THR 110 Ca 0.18 -0.12 -0.03 0.00 -2.27 0.00 0.00 64.05 61.82 3ias n THR 110 Cb 0.51 0.61 -0.00 0.00 -2.10 0.00 0.00 70.33 69.35 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 2.12 0.37 0.21 3.38 0.00 -1.26 -4.97 105.19 105.04 3ias n GLY 111 Ca 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 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 0.08 -0.43 -2.30 4.61 0.00 -1.89 -3.43 119.26 115.90 3ias h ALA 112 Ca -0.06 -0.18 -0.60 0.00 0.00 0.00 0.00 54.91 54.07 3ias h ALA 112 Cb 0.75 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.60 3ias h ALA 112 CO 0.07 -0.47 0.37 -1.50 0.00 0.00 0.00 179.25 177.72 3ias s ILE 113 N -3.75 4.84 0.05 0.00 1.10 -1.26 -0.61 121.20 121.56 3ias s ILE 113 Ca -0.11 1.25 0.04 0.00 -0.51 0.00 0.00 60.65 61.32 3ias s ILE 113 Cb 0.01 -4.10 -0.02 0.00 0.15 0.00 0.00 42.46 38.50 3ias s ILE 113 CO 0.41 -0.16 -0.11 -0.69 -2.11 0.00 0.00 174.94 172.27 3ias s VAL 114 N 2.85 0.87 -0.23 4.00 1.01 -0.55 -4.26 120.40 124.09 3ias s VAL 114 Ca 0.32 -1.10 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 3ias s VAL 114 Cb -0.15 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.39 3ias s VAL 114 CO 0.11 -0.21 1.05 -0.76 0.00 0.00 0.00 175.10 175.28 3ias s LEU 115 N -1.47 4.10 0.00 3.92 1.43 -1.26 -0.45 118.68 124.95 3ias s LEU 115 Ca -0.04 1.39 0.00 0.00 -1.03 0.00 0.00 54.13 54.45 3ias s LEU 115 Cb -0.09 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.59 3ias s LEU 115 CO 0.01 -0.67 0.00 0.61 0.23 0.00 0.00 176.35 176.53 3ias n GLY 116 N 3.33 -0.71 0.02 -3.19 0.00 0.04 -4.48 105.19 100.19 3ias n GLY 116 Ca 0.12 -1.47 -0.02 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 -1.46 1.61 4.01 -1.26 -0.92 117.16 119.03 3ias n TYR 117 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.35 3ias n TYR 117 Cb 0.00 -0.14 0.03 0.00 -0.31 0.00 0.00 39.34 38.92 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 -2.35 -1.04 0.00 7.72 9.92 -1.26 -4.54 116.55 124.99 3ias n ASP 118 Ca -0.05 0.79 0.00 0.00 -0.53 0.00 0.00 54.79 54.99 3ias n ASP 118 Cb 0.58 -1.15 0.00 0.00 -0.64 0.00 0.00 41.12 39.91 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 -1.42 0.00 -1.99 1.24 1.16 -1.26 -1.36 117.46 113.82 3ias n PHE 119 Ca 0.11 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.29 3ias n PHE 119 Cb 0.45 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.30 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 2.51 -0.41 3.97 1.02 -1.26 -4.51 120.64 121.96 3ias n GLU 120 Ca 0.00 -2.69 0.03 0.00 -0.02 0.00 0.00 57.16 54.48 3ias n GLU 120 Cb 0.00 -3.38 0.04 0.00 -0.02 0.00 0.00 31.44 28.08 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 7.47 0.39 -1.74 3.49 0.00 -1.26 -4.59 117.12 120.88 3ias n MET 121 Ca 0.49 -1.52 -0.42 0.00 0.00 0.00 0.00 57.70 56.25 3ias n MET 121 Cb 0.43 -0.79 -0.01 0.00 0.00 0.00 0.00 33.22 32.85 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 -0.41 2.26 -3.44 3.17 0.00 -1.26 -4.84 120.51 115.98 3ias n ALA 122 Ca 0.05 0.37 -0.08 0.00 0.00 0.00 0.00 53.44 53.78 3ias n ALA 122 Cb 0.70 -2.42 -0.03 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 1.89 -0.19 -0.07 0.00 -0.08 -1.26 -4.84 116.55 112.00 3ias n ASP 123 Ca 0.08 -1.75 -0.07 0.00 -1.51 0.00 0.00 54.79 51.54 3ias n ASP 123 Cb 0.36 0.56 -0.02 0.00 2.34 0.00 0.00 41.12 44.36 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 -0.22 0.00 -3.44 -0.67 4.01 -1.26 -4.96 117.16 110.62 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 0.21 -0.40 -0.07 0.00 -0.31 0.00 0.00 39.34 38.77 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 -2.64 4.27 0.18 -0.72 2.02 -1.26 -4.99 118.70 115.56 3ias s GLU 125 Ca -0.23 0.25 -0.20 0.00 0.02 0.00 0.00 54.97 54.81 3ias s GLU 125 Cb 0.03 -3.42 0.10 0.00 0.10 0.00 0.00 34.13 30.94 3ias s GLU 125 CO 0.34 0.22 1.37 0.98 0.02 0.00 0.00 175.26 178.20 3ias n TYR 126 N 3.54 -0.14 0.34 1.61 4.19 -1.26 -0.41 117.16 125.04 3ias n TYR 126 Ca -0.10 1.10 0.11 0.00 3.31 0.00 0.00 57.90 62.32 3ias n TYR 126 Cb 0.52 -0.72 0.48 0.00 0.49 0.00 0.00 39.34 40.11 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 -5.22 0.57 0.00 2.98 7.64 -1.26 -1.23 113.62 117.09 3ias n SER 127 Ca 0.06 0.67 0.13 0.00 1.01 0.00 0.00 58.87 60.74 3ias n SER 127 Cb 0.30 -0.78 0.73 0.00 -1.01 0.00 0.00 64.21 63.46 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 -2.16 0.00 -0.82 6.43 8.00 0.46 -3.50 116.55 124.95 3ias n ASP 128 Ca 0.01 -0.41 0.10 0.00 0.71 0.00 0.00 54.79 55.20 3ias n ASP 128 Cb 0.18 -0.17 0.10 0.00 -0.02 0.00 0.00 41.12 41.21 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 -1.17 2.73 -4.62 0.64 4.77 -0.37 -4.82 117.00 114.17 3ias n LEU 129 Ca 0.16 -1.07 -0.42 0.00 -0.03 0.00 0.00 56.01 54.65 3ias n LEU 129 Cb 0.16 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 3ias n LEU 129 CO 0.18 0.49 0.76 0.54 -1.33 0.00 0.00 177.39 178.03 3ias s VAL 130 N -1.62 4.65 -0.01 4.08 0.11 -1.23 -2.24 120.40 124.14 3ias s VAL 130 Ca 0.25 1.40 -0.24 0.00 -2.93 0.00 0.00 61.98 60.46 3ias s VAL 130 Cb 0.17 -4.28 -0.05 0.00 -1.53 0.00 0.00 36.38 30.70 3ias s VAL 130 CO 0.25 -0.38 0.72 -0.31 -3.33 0.00 0.00 175.10 172.06 3ias s TYR 131 N 3.30 3.66 0.72 1.54 1.51 -0.24 -4.86 117.35 122.98 3ias s TYR 131 Ca 0.38 1.35 0.01 0.00 -1.01 0.00 0.00 57.07 57.80 3ias s TYR 131 Cb -0.13 -2.80 0.14 0.00 -0.11 0.00 0.00 41.96 39.06 3ias s TYR 131 CO 0.14 0.19 0.99 0.20 -1.11 0.00 0.00 175.55 175.97 3ias s GLY 132 N 0.33 1.74 0.11 0.71 0.00 -1.26 -1.69 107.32 107.27 3ias s GLY 132 Ca 0.38 -1.88 -0.24 0.00 0.00 0.00 0.00 44.72 42.98 3ias s GLY 132 CO 0.20 -1.28 1.68 1.70 0.00 0.00 0.00 173.10 175.40 3ias h LYS 133 N -0.50 -0.23 0.00 2.90 3.64 -1.89 -1.36 116.57 119.12 3ias h LYS 133 Ca -0.34 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3ias h LYS 133 Cb 1.27 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 3ias h LYS 133 CO 0.38 -0.15 0.00 -0.85 -2.27 0.00 0.00 179.45 176.56 3ias n GLU 134 N -5.27 0.90 0.00 1.90 0.00 -1.26 -1.61 120.64 115.30 3ias n GLU 134 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.22 3ias n GLU 134 Cb 0.19 -1.08 0.07 0.00 0.00 0.00 0.00 31.44 30.61 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 -0.58 0.71 0.00 -1.84 8.00 -0.52 -4.59 116.55 117.72 3ias n ASP 135 Ca 0.04 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 55.01 3ias n ASP 135 Cb 0.02 0.64 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 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 -1.58 3.54 -1.17 -1.24 2.81 -0.64 -4.88 117.12 113.97 3ias n MET 136 Ca 0.04 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.58 3ias n MET 136 Cb 0.35 -0.51 0.08 0.00 -0.71 0.00 0.00 33.22 32.43 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 -0.75 0.50 0.12 4.03 4.32 -1.09 -0.43 117.00 123.71 3ias n LEU 137 Ca 0.00 0.53 0.04 0.00 -0.02 0.00 0.00 56.01 56.56 3ias n LEU 137 Cb 0.00 -1.21 0.44 0.00 -1.62 0.00 0.00 43.42 41.04 3ias n LEU 137 CO 0.00 -3.27 0.98 -0.37 -1.22 0.00 0.00 177.39 173.51 3ias h VAL 138 N -0.61 1.13 0.00 4.08 -1.51 -1.60 -2.60 116.25 115.14 3ias h VAL 138 Ca -0.45 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.50 3ias h VAL 138 Cb 1.34 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 3ias h VAL 138 CO 0.41 0.17 0.00 -0.90 -1.23 0.00 0.00 177.57 176.02 3ias n ASP 139 N -4.36 1.67 -4.54 4.19 5.75 -1.26 -4.62 116.55 113.37 3ias n ASP 139 Ca -0.00 -1.65 -0.31 0.00 -0.01 0.00 0.00 54.79 52.82 3ias n ASP 139 Cb 0.19 -0.41 -0.11 0.00 -1.03 0.00 0.00 41.12 39.76 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 -0.40 3.27 -0.14 2.12 0.11 -0.98 -5.11 120.40 119.26 3ias s VAL 140 Ca 0.00 -1.05 0.00 0.00 -2.93 0.00 0.00 61.98 58.01 3ias s VAL 140 Cb 0.00 -2.44 0.02 0.00 -1.53 0.00 0.00 36.38 32.44 3ias s VAL 140 CO 0.00 0.30 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.25 3ias s VAL 141 N -1.03 1.51 0.00 2.04 1.01 -1.26 -4.96 120.40 117.71 3ias s VAL 141 Ca 0.17 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3ias s VAL 141 Cb -0.11 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.85 3ias s VAL 141 CO 0.08 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.24 3ias n GLY 142 N 4.79 -2.41 3.97 4.51 0.00 -1.26 -4.75 105.19 110.05 3ias n GLY 142 Ca -0.16 -1.68 -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 -0.43 1.82 0.18 2.61 -4.23 -1.26 -4.89 115.64 109.43 3ias s THR 143 Ca 0.00 -1.25 -0.14 0.00 -1.18 0.00 0.00 61.69 59.12 3ias s THR 143 Cb 0.00 -2.07 0.07 0.00 1.34 0.00 0.00 72.50 71.84 3ias s THR 143 CO 0.00 0.00 1.75 0.50 -0.54 0.00 0.00 174.62 176.33 3ias h LYS 144 N 0.43 0.31 0.13 3.99 3.64 -1.91 -1.24 116.57 121.93 3ias h LYS 144 Ca -0.33 -0.02 -0.29 0.00 -1.27 0.00 0.00 60.65 58.75 3ias h LYS 144 Cb 1.30 -0.07 0.03 0.00 -0.41 0.00 0.00 32.23 33.08 3ias h LYS 144 CO 0.49 0.20 -1.21 -1.00 -2.27 0.00 0.00 179.45 175.66 3ias h PRO 145 N 0.32 0.59 -0.74 1.90 0.13 -1.88 -2.73 132.00 129.58 3ias h PRO 145 Ca 0.22 -0.81 0.12 0.00 -0.87 0.00 0.00 66.00 64.66 3ias h PRO 145 Cb 0.23 0.27 -0.09 0.00 0.13 0.00 0.00 31.00 31.54 3ias h PRO 145 CO -0.23 1.37 0.33 1.96 -0.23 0.00 0.00 178.00 181.19 3ias h GLN 146 N 0.20 0.50 0.25 0.86 4.20 -1.77 -2.25 115.11 117.09 3ias h GLN 146 Ca -0.19 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 3ias h GLN 146 Cb 1.89 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.56 3ias h GLN 146 CO 0.23 0.33 -0.12 0.00 -0.67 0.00 0.00 178.83 178.60 3ias h ARG 147 N 0.51 -0.32 -1.10 1.46 3.08 -1.32 -2.89 114.38 113.80 3ias h ARG 147 Ca 0.39 0.02 0.35 0.00 0.07 0.00 0.00 59.98 60.82 3ias h ARG 147 Cb 0.53 0.07 -0.14 0.00 0.08 0.00 0.00 29.97 30.52 3ias h ARG 147 CO -0.35 0.04 0.67 -0.09 -1.07 0.00 0.00 179.97 179.17 3ias h ARG 148 N -0.82 0.24 0.27 0.04 2.43 -1.23 0.14 114.38 115.45 3ias h ARG 148 Ca -0.03 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3ias h ARG 148 Cb 0.51 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3ias h ARG 148 CO 0.06 0.16 -0.13 1.49 -1.51 0.00 0.00 179.97 180.04 3ias h GLU 149 N 0.25 -0.34 0.00 0.20 4.81 -1.43 -2.86 114.58 115.20 3ias h GLU 149 Ca 0.74 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 60.00 3ias h GLU 149 Cb 1.95 0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.40 3ias h GLU 149 CO -0.51 0.01 0.00 0.00 -0.73 0.00 0.00 179.01 177.78 3ias n ALA 150 N -2.52 1.59 -0.04 2.92 0.00 0.32 -1.33 120.51 121.45 3ias n ALA 150 Ca -0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.31 3ias n ALA 150 Cb 0.26 -1.07 -0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.84 -3.11 116.57 114.25 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 -3.93 0.65 -0.10 1.90 1.85 -1.01 -3.37 116.66 112.65 3ias n ARG 152 Ca -0.02 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.61 3ias n ARG 152 Cb 0.08 -1.50 -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 -1.01 1.56 -0.82 8.89 -1.04 -0.44 -4.99 114.28 116.43 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 0.08 -1.69 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 1.83 0.57 3.15 3.41 0.00 -1.18 -5.04 105.19 107.94 3ias n GLY 154 Ca -0.44 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.46 3.03 0.97 1.61 2.47 -1.26 -5.09 119.74 121.01 3ias s LYS 155 Ca 0.00 -0.83 -0.20 0.00 -1.56 0.00 0.00 55.97 53.38 3ias s LYS 155 Cb 0.00 -2.54 -0.04 0.00 -1.46 0.00 0.00 37.83 33.79 3ias s LYS 155 CO 0.00 -0.12 -0.69 -2.30 0.16 0.00 0.00 175.35 172.39 3ias n PRO 156 N 4.38 -0.75 -3.32 4.03 -0.02 -1.26 -4.49 135.00 133.58 3ias n PRO 156 Ca -0.20 -0.22 -0.43 0.00 -2.02 0.00 0.00 63.50 60.63 3ias n PRO 156 Cb 0.51 -1.25 -0.09 0.00 -0.02 0.00 0.00 33.50 32.65 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 5.09 -0.73 -1.45 -7.23 -1.26 -4.91 120.40 107.84 3ias s VAL 157 Ca 0.37 -0.32 -0.20 0.00 -1.81 0.00 0.00 61.98 60.02 3ias s VAL 157 Cb 0.01 -4.03 0.11 0.00 0.56 0.00 0.00 36.38 33.03 3ias s VAL 157 CO 0.53 -0.41 0.92 -0.54 -0.31 0.00 0.00 175.10 175.30 3ias s LYS 158 N 2.14 3.26 0.01 4.82 1.02 -1.26 -4.99 119.74 124.75 3ias s LYS 158 Ca 0.12 -1.33 -0.30 0.00 0.02 0.00 0.00 55.97 54.47 3ias s LYS 158 Cb -0.17 -4.45 -0.06 0.00 -0.52 0.00 0.00 37.83 32.63 3ias s LYS 158 CO 0.14 -1.70 1.49 0.14 -0.92 0.00 0.00 175.35 174.49 3ias s VAL 159 N 3.05 3.52 0.00 3.17 -7.23 -1.26 -4.90 120.40 116.75 3ias s VAL 159 Ca 0.22 0.91 0.00 0.00 -1.81 0.00 0.00 61.98 61.29 3ias s VAL 159 Cb -0.15 -3.58 0.00 0.00 0.56 0.00 0.00 36.38 33.20 3ias s VAL 159 CO 0.02 -0.01 0.99 0.61 -0.31 0.00 0.00 175.10 176.40 3ias n GLY 160 N 3.77 1.78 3.18 2.32 0.00 -1.26 -4.81 105.19 110.17 3ias n GLY 160 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 0.18 0.40 0.04 1.61 -0.85 -1.26 -1.61 117.35 115.85 3ias s TYR 161 Ca 0.00 -0.86 -0.08 0.00 -0.52 0.00 0.00 57.07 55.62 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 -0.51 0.15 0.14 -1.52 0.00 0.00 175.55 173.81 3ias s VAL 162 N -3.92 0.12 0.16 -3.49 -7.23 0.14 -4.63 120.40 101.55 3ias s VAL 162 Ca 0.10 -0.96 0.01 0.00 -1.81 0.00 0.00 61.98 59.32 3ias s VAL 162 Cb 0.06 -0.87 -0.04 0.00 0.56 0.00 0.00 36.38 36.09 3ias s VAL 162 CO -0.08 -0.53 0.02 0.68 -0.31 0.00 0.00 175.10 174.88 3ias s VAL 163 N -2.49 0.52 0.17 1.32 -7.23 -0.57 -1.96 120.40 110.15 3ias s VAL 163 Ca -0.06 -1.96 -0.11 0.00 -1.81 0.00 0.00 61.98 58.04 3ias s VAL 163 Cb -0.02 -2.11 0.06 0.00 0.56 0.00 0.00 36.38 34.87 3ias s VAL 163 CO -0.04 -0.46 1.67 1.55 -0.31 0.00 0.00 175.10 177.50 3ias h PRO 164 N 2.73 0.94 -2.71 4.82 0.13 -1.79 -3.28 132.00 132.84 3ias h PRO 164 Ca -0.36 -0.24 0.08 0.00 -0.87 0.00 0.00 66.00 64.60 3ias h PRO 164 Cb 1.20 -0.12 -0.10 0.00 0.13 0.00 0.00 31.00 32.12 3ias h PRO 164 CO 0.62 0.88 0.34 1.52 -0.23 0.00 0.00 178.00 181.13 3ias s TYR 165 N -5.24 -0.30 0.23 1.56 -0.85 -1.26 -4.60 117.35 106.88 3ias s TYR 165 Ca -0.12 0.01 -0.30 0.00 -0.52 0.00 0.00 57.07 56.14 3ias s TYR 165 Cb 0.13 0.62 -0.09 0.00 0.38 0.00 0.00 41.96 43.00 3ias s TYR 165 CO 0.82 -0.90 1.02 0.14 -1.52 0.00 0.00 175.55 175.11 3ias s VAL 166 N -3.57 3.92 0.80 -3.49 -7.23 -1.26 -4.75 120.40 104.82 3ias s VAL 166 Ca 0.07 1.83 -0.14 0.00 -1.81 0.00 0.00 61.98 61.94 3ias s VAL 166 Cb -0.03 -4.17 0.04 0.00 0.56 0.00 0.00 36.38 32.79 3ias s VAL 166 CO -0.03 0.40 0.89 0.54 -0.31 0.00 0.00 175.10 176.59 3ias n ARG 167 N 1.71 0.16 -0.24 4.82 1.74 -1.26 -4.89 116.66 118.69 3ias n ARG 167 Ca -0.00 0.12 -0.06 0.00 -0.77 0.00 0.00 57.85 57.13 3ias n ARG 167 Cb 0.46 -2.17 0.05 0.00 -1.02 0.00 0.00 32.46 29.78 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 -0.84 0.93 0.00 5.56 0.11 -1.98 -3.11 132.00 132.68 3ias h PRO 168 Ca -0.46 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 65.54 3ias h PRO 168 Cb 1.31 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3ias h PRO 168 CO 0.43 0.69 -0.04 0.93 -0.21 0.00 0.00 178.00 179.81 3ias h GLU 169 N 0.92 0.00 -1.16 1.05 3.07 -2.00 -1.93 114.58 114.52 3ias h GLU 169 Ca 0.24 0.00 -0.43 0.00 -0.50 0.00 0.00 59.36 58.67 3ias h GLU 169 Cb 0.03 0.00 -0.21 0.00 -0.84 0.00 0.00 28.75 27.72 3ias h GLU 169 CO -0.04 0.04 0.55 1.28 -1.40 0.00 0.00 179.01 179.44 3ias n LEU 170 N -3.63 6.41 -4.61 1.33 4.77 -1.17 -4.96 117.00 115.14 3ias n LEU 170 Ca -0.03 -3.40 -0.44 0.00 -0.03 0.00 0.00 56.01 52.11 3ias n LEU 170 Cb 0.13 -0.90 -0.04 0.00 -2.33 0.00 0.00 43.42 40.29 3ias n LEU 170 CO 0.27 1.14 1.76 1.21 -1.33 0.00 0.00 177.39 180.43 3ias n GLU 171 N -0.41 2.13 0.00 3.23 4.07 -0.73 -1.00 120.64 127.94 3ias n GLU 171 Ca 0.44 0.67 0.00 0.00 -0.06 0.00 0.00 57.16 58.20 3ias n GLU 171 Cb 0.93 -3.06 0.00 0.00 -0.06 0.00 0.00 31.44 29.25 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 5.42 0.86 3.57 8.31 0.00 -1.26 -4.71 105.19 117.37 3ias n GLY 172 Ca 0.28 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 -1.00 1.96 -0.11 1.61 5.36 -0.17 -4.88 117.98 120.75 3ias s PHE 173 Ca 0.00 0.58 -0.29 0.00 -0.96 0.00 0.00 56.93 56.25 3ias s PHE 173 Cb 0.00 -4.25 -0.01 0.00 -0.34 0.00 0.00 43.02 38.42 3ias s PHE 173 CO 0.00 -2.26 1.00 0.15 -1.46 0.00 0.00 175.22 172.66 3ias s LYS 174 N 6.18 4.42 0.12 10.12 1.02 -1.26 -4.96 119.74 135.38 3ias s LYS 174 Ca 0.61 1.39 -0.15 0.00 0.02 0.00 0.00 55.97 57.83 3ias s LYS 174 Cb -0.13 -3.54 0.03 0.00 -0.52 0.00 0.00 37.83 33.67 3ias s LYS 174 CO 0.23 -0.32 0.37 0.00 -0.92 0.00 0.00 175.35 174.72 3ias s ALA 175 N 2.03 -0.84 -0.45 5.17 0.00 -1.26 -5.02 121.76 121.39 3ias s ALA 175 Ca 0.48 -0.11 -0.27 0.00 0.00 0.00 0.00 51.96 52.06 3ias s ALA 175 Cb -0.18 0.66 -0.05 0.00 0.00 0.00 0.00 23.12 23.54 3ias s ALA 175 CO 0.18 -0.62 2.21 -1.25 0.00 0.00 0.00 175.76 176.27 3ias s PRO 176 N -3.77 2.50 0.00 0.00 0.04 -1.26 -4.83 135.00 127.67 3ias s PRO 176 Ca 0.03 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.42 3ias s PRO 176 Cb 0.02 -4.47 0.00 0.00 0.04 0.00 0.00 34.50 30.09 3ias s PRO 176 CO -0.12 -2.84 0.71 0.25 0.04 0.00 0.00 177.00 175.05 3ias n THR 177 N 7.74 0.46 0.03 1.26 -2.24 -1.26 -1.52 114.28 118.75 3ias n THR 177 Ca 0.31 -0.70 0.01 0.00 -2.27 0.00 0.00 64.05 61.40 3ias n THR 177 Cb 0.52 0.81 0.06 0.00 -2.10 0.00 0.00 70.33 69.61 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 -0.23 0.02 -0.94 -0.78 1.02 -1.26 -4.51 120.64 113.96 3ias n GLU 178 Ca 0.00 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 3ias n GLU 178 Cb 0.14 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 3ias n GLU 178 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72