#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3di3 n TYR 18 N 0.00 2.50 -2.86 -0.67 4.01 -1.26 -4.99 117.16 113.89 3di3 n TYR 18 Ca 0.00 -3.93 -0.35 0.00 -0.16 0.00 0.00 57.90 53.47 3di3 n TYR 18 Cb 0.00 -0.46 -0.07 0.00 -0.31 0.00 0.00 39.34 38.50 3di3 n TYR 18 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3di3 s SER 19 N -2.98 7.08 -0.02 7.72 1.04 -1.26 -4.87 113.70 120.40 3di3 s SER 19 Ca 0.45 1.68 -0.30 0.00 0.48 0.00 0.00 55.95 58.26 3di3 s SER 19 Cb 0.30 -2.53 0.07 0.00 0.10 0.00 0.00 66.02 63.96 3di3 s SER 19 CO -0.11 -0.21 0.67 0.72 0.98 0.00 0.00 173.24 175.29 3di3 s PHE 20 N -1.91 -0.64 0.30 5.02 -0.71 -1.26 -1.92 117.98 116.86 3di3 s PHE 20 Ca 0.56 1.02 0.11 0.00 -1.04 0.00 0.00 56.93 57.58 3di3 s PHE 20 Cb -0.13 0.42 -0.05 0.00 -1.21 0.00 0.00 43.02 42.05 3di3 s PHE 20 CO 0.18 -0.64 -0.15 -1.54 -1.34 0.00 0.00 175.22 171.73 3di3 s SER 21 N -1.38 3.71 -0.07 1.98 1.04 -0.97 -4.95 113.70 113.06 3di3 s SER 21 Ca -0.10 -1.06 -0.09 0.00 0.48 0.00 0.00 55.95 55.19 3di3 s SER 21 Cb -0.00 -0.35 0.02 0.00 0.10 0.00 0.00 66.02 65.79 3di3 s SER 21 CO 0.07 -0.04 0.24 0.00 0.98 0.00 0.00 173.24 174.49 3di3 s TYR 23 N -0.26 1.29 0.19 0.00 1.13 0.94 -4.88 117.35 115.76 3di3 s TYR 23 Ca -0.04 -0.26 0.06 0.00 -1.41 0.00 0.00 57.07 55.42 3di3 s TYR 23 Cb -0.03 -0.84 -0.04 0.00 -1.10 0.00 0.00 41.96 39.96 3di3 s TYR 23 CO 0.01 -0.04 0.14 -1.54 -2.51 0.00 0.00 175.55 171.62 3di3 s SER 24 N -0.28 5.48 -0.27 -0.18 1.04 0.28 -0.66 113.70 119.11 3di3 s SER 24 Ca 0.04 -0.17 -0.02 0.00 0.48 0.00 0.00 55.95 56.28 3di3 s SER 24 Cb -0.06 -1.41 0.09 0.00 0.10 0.00 0.00 66.02 64.74 3di3 s SER 24 CO -0.00 0.04 0.08 -1.10 0.98 0.00 0.00 173.24 173.24 3di3 s GLN 25 N -3.27 0.63 0.20 4.02 -0.21 -0.51 -1.03 119.66 119.49 3di3 s GLN 25 Ca 0.31 -0.78 -0.30 0.00 0.02 0.00 0.00 55.36 54.62 3di3 s GLN 25 Cb -0.09 -1.91 -0.08 0.00 1.00 0.00 0.00 33.01 31.93 3di3 s GLN 25 CO 0.23 -0.87 1.09 -0.51 -2.12 0.00 0.00 175.29 173.11 3di3 s LEU 26 N 1.77 4.51 -1.50 2.90 1.43 -1.26 -1.40 118.68 125.12 3di3 s LEU 26 Ca 0.06 2.12 -0.13 0.00 -1.03 0.00 0.00 54.13 55.15 3di3 s LEU 26 Cb -0.17 -3.61 0.08 0.00 0.03 0.00 0.00 46.19 42.52 3di3 s LEU 26 CO -0.21 -0.18 0.87 -0.62 0.23 0.00 0.00 176.35 176.43 3di3 n GLU 27 N 2.08 -5.07 0.11 1.70 1.02 -1.22 -4.90 120.64 114.36 3di3 n GLU 27 Ca 0.02 0.60 -0.13 0.00 -0.02 0.00 0.00 57.16 57.62 3di3 n GLU 27 Cb 0.46 -5.46 -0.08 0.00 -0.02 0.00 0.00 31.44 26.34 3di3 n GLU 27 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3di3 h VAL 28 N -1.83 0.90 -3.55 2.62 3.04 -0.79 -3.37 116.25 113.27 3di3 h VAL 28 Ca -0.55 -0.34 -0.69 0.00 -1.01 0.00 0.00 66.70 64.10 3di3 h VAL 28 Cb 1.36 1.11 -0.34 0.00 -2.01 0.00 0.00 31.29 31.41 3di3 h VAL 28 CO 0.64 0.08 -0.58 0.21 -1.01 0.00 0.00 177.57 176.91 3di3 s ASN 29 N -5.13 5.19 1.41 3.17 3.84 -1.03 -4.95 114.94 117.44 3di3 s ASN 29 Ca -0.15 -1.84 0.00 0.00 0.21 0.00 0.00 52.86 51.08 3di3 s ASN 29 Cb 0.04 -1.81 0.00 0.00 -0.55 0.00 0.00 41.25 38.93 3di3 s ASN 29 CO 0.63 -0.48 0.00 0.61 -2.79 0.00 0.00 177.10 175.07 3di3 n GLY 30 N 4.61 2.09 0.33 1.21 0.00 -1.26 -1.74 105.19 110.43 3di3 n GLY 30 Ca -0.05 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.93 3di3 n GLY 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3di3 n SER 31 N 10.17 2.46 -4.88 1.61 3.41 -1.26 -4.69 113.62 120.44 3di3 n SER 31 Ca 0.00 -1.99 -0.35 0.00 -0.26 0.00 0.00 58.87 56.27 3di3 n SER 31 Cb 0.00 -0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 63.78 3di3 n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3di3 s GLN 32 N -0.99 3.58 0.30 4.33 -2.07 -0.71 -4.55 119.66 119.54 3di3 s GLN 32 Ca 0.12 -0.06 0.06 0.00 -1.82 0.00 0.00 55.36 53.66 3di3 s GLN 32 Cb 0.06 -3.10 -0.02 0.00 -1.09 0.00 0.00 33.01 28.86 3di3 s GLN 32 CO 0.08 0.67 0.43 -1.01 -1.32 0.00 0.00 175.29 174.14 3di3 s HIS 33 N -1.25 3.26 0.19 9.60 3.76 -0.13 -0.52 115.29 130.20 3di3 s HIS 33 Ca 0.26 -0.12 0.08 0.00 -0.15 0.00 0.00 55.06 55.12 3di3 s HIS 33 Cb -0.13 -1.83 -0.04 0.00 1.11 0.00 0.00 32.58 31.68 3di3 s HIS 33 CO 0.14 0.16 -0.16 -1.54 -0.85 0.00 0.00 174.74 172.50 3di3 s SER 34 N -4.10 2.58 -0.06 1.40 1.04 -0.50 -2.17 113.70 111.90 3di3 s SER 34 Ca 0.41 -0.96 -0.03 0.00 0.48 0.00 0.00 55.95 55.85 3di3 s SER 34 Cb -0.09 -0.14 0.04 0.00 0.10 0.00 0.00 66.02 65.93 3di3 s SER 34 CO 0.30 -0.13 0.12 -0.22 0.98 0.00 0.00 173.24 174.30 3di3 s LEU 35 N -3.08 0.10 -0.11 2.42 2.96 -0.46 -1.42 118.68 119.08 3di3 s LEU 35 Ca 0.20 0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.36 3di3 s LEU 35 Cb -0.02 0.12 0.01 0.00 0.50 0.00 0.00 46.19 46.80 3di3 s LEU 35 CO 0.07 -0.24 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.81 3di3 s THR 36 N 2.13 1.56 0.18 3.68 2.01 0.16 -0.64 115.64 124.73 3di3 s THR 36 Ca 0.03 -0.68 0.11 0.00 0.31 0.00 0.00 61.69 61.45 3di3 s THR 36 Cb -0.12 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 3di3 s THR 36 CO -0.05 0.45 -0.24 0.00 -0.69 0.00 0.00 174.62 174.10 3di3 s ALA 38 N -1.58 0.42 -0.00 0.00 0.00 -0.20 -2.37 121.76 118.02 3di3 s ALA 38 Ca 0.19 -1.14 -0.18 0.00 0.00 0.00 0.00 51.96 50.84 3di3 s ALA 38 Cb -0.08 0.54 -0.06 0.00 0.00 0.00 0.00 23.12 23.52 3di3 s ALA 38 CO 0.09 -0.46 0.51 -0.06 0.00 0.00 0.00 175.76 175.84 3di3 s PHE 39 N -3.95 3.70 0.09 0.00 0.08 -1.26 -2.30 117.98 114.34 3di3 s PHE 39 Ca 0.12 1.10 -0.27 0.00 0.12 0.00 0.00 56.93 58.00 3di3 s PHE 39 Cb 0.07 -2.47 -0.15 0.00 -0.57 0.00 0.00 43.02 39.90 3di3 s PHE 39 CO -0.06 0.48 1.68 1.49 -0.10 0.00 0.00 175.22 178.71 3di3 h GLU 40 N 5.22 -0.41 -5.37 0.44 4.57 -1.75 -3.41 114.58 113.87 3di3 h GLU 40 Ca -0.48 0.03 -0.63 0.00 -1.18 0.00 0.00 59.36 57.11 3di3 h GLU 40 Cb 1.21 0.09 -0.13 0.00 -0.16 0.00 0.00 28.75 29.76 3di3 h GLU 40 CO 0.66 -0.27 0.02 0.34 -1.18 0.00 0.00 179.01 178.58 3di3 s ASP 41 N -4.82 6.42 -0.62 1.04 -1.08 -1.26 -5.01 116.67 111.33 3di3 s ASP 41 Ca -0.15 0.34 -0.26 0.00 -0.52 0.00 0.00 52.55 51.96 3di3 s ASP 41 Cb 0.05 -2.29 -0.06 0.00 -1.46 0.00 0.00 42.92 39.17 3di3 s ASP 41 CO 0.64 -0.40 2.15 -2.84 0.52 0.00 0.00 175.17 175.25 3di3 s PRO 42 N 2.42 2.29 0.00 4.34 0.02 -1.26 -4.83 135.00 137.98 3di3 s PRO 42 Ca 0.22 0.80 0.00 0.00 0.02 0.00 0.00 61.00 62.04 3di3 s PRO 42 Cb -0.15 -4.59 0.00 0.00 0.02 0.00 0.00 34.50 29.78 3di3 s PRO 42 CO 0.11 -3.23 0.00 -0.40 -0.33 0.00 0.00 177.00 173.15 3di3 n ASP 43 N 14.84 0.00 -1.80 2.53 5.75 -1.26 -5.14 116.55 131.47 3di3 n ASP 43 Ca 0.32 -0.73 -0.00 0.00 -0.01 0.00 0.00 54.79 54.37 3di3 n ASP 43 Cb 0.52 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.60 3di3 n ASP 43 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3di3 n VAL 44 N 0.00 -8.68 -2.90 2.12 0.31 -1.26 -5.00 118.33 102.92 3di3 n VAL 44 Ca 0.00 1.84 -0.34 0.00 -0.01 0.00 0.00 64.34 65.83 3di3 n VAL 44 Cb 0.00 -4.83 -0.07 0.00 -0.91 0.00 0.00 33.84 28.03 3di3 n VAL 44 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3di3 s ASN 45 N -0.35 6.96 0.00 4.52 6.03 -1.26 -4.40 114.94 126.45 3di3 s ASN 45 Ca -0.01 1.61 0.00 0.00 -1.03 0.00 0.00 52.86 53.43 3di3 s ASN 45 Cb 0.00 -2.50 0.00 0.00 -3.03 0.00 0.00 41.25 35.72 3di3 s ASN 45 CO 0.02 -0.27 0.00 0.41 -2.03 0.00 0.00 177.10 175.23 3di3 n THR 46 N -0.36 0.00 -1.84 0.54 -1.04 -1.26 -4.73 114.28 105.59 3di3 n THR 46 Ca 0.05 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.70 3di3 n THR 46 Cb 0.53 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 69.10 3di3 n THR 46 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3di3 s THR 47 N -1.76 2.24 -2.17 12.58 -1.32 -1.26 -4.90 115.64 119.05 3di3 s THR 47 Ca 0.00 0.15 0.20 0.00 -1.21 0.00 0.00 61.69 60.82 3di3 s THR 47 Cb 0.00 -3.06 0.47 0.00 -1.51 0.00 0.00 72.50 68.40 3di3 s THR 47 CO 0.00 -0.03 1.59 -0.46 -2.21 0.00 0.00 174.62 173.51 3di3 n ASN 48 N -1.78 1.05 -4.81 8.08 6.94 -1.26 -4.88 115.26 118.61 3di3 n ASN 48 Ca 0.15 -1.62 -0.32 0.00 -0.02 0.00 0.00 54.58 52.77 3di3 n ASN 48 Cb 0.49 -0.07 0.02 0.00 -2.36 0.00 0.00 39.78 37.86 3di3 n ASN 48 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3di3 s LEU 49 N -1.55 3.40 0.04 -4.53 1.43 -1.26 -3.93 118.68 112.28 3di3 s LEU 49 Ca 0.30 1.77 -0.27 0.00 -1.03 0.00 0.00 54.13 54.90 3di3 s LEU 49 Cb 0.15 -4.52 0.07 0.00 0.03 0.00 0.00 46.19 41.92 3di3 s LEU 49 CO 0.24 -1.26 0.63 -1.61 0.23 0.00 0.00 176.35 174.58 3di3 s GLU 50 N -4.33 1.14 0.11 1.70 2.02 0.66 -4.97 118.70 115.03 3di3 s GLU 50 Ca 0.62 -0.08 0.06 0.00 0.02 0.00 0.00 54.97 55.59 3di3 s GLU 50 Cb -0.16 0.53 -0.04 0.00 0.10 0.00 0.00 34.13 34.56 3di3 s GLU 50 CO 0.42 -0.42 -0.02 -0.06 0.02 0.00 0.00 175.26 175.20 3di3 s PHE 51 N -2.33 2.93 0.07 1.61 0.40 -1.26 -0.75 117.98 118.65 3di3 s PHE 51 Ca -0.06 -0.07 -0.04 0.00 -0.60 0.00 0.00 56.93 56.16 3di3 s PHE 51 Cb -0.00 -1.49 -0.02 0.00 0.51 0.00 0.00 43.02 42.01 3di3 s PHE 51 CO -0.00 0.48 0.07 -2.00 0.70 0.00 0.00 175.22 174.46 3di3 s GLU 52 N -2.40 0.71 -0.07 0.44 2.12 -0.81 -1.65 118.70 117.04 3di3 s GLU 52 Ca 0.25 -1.09 -0.05 0.00 0.36 0.00 0.00 54.97 54.44 3di3 s GLU 52 Cb -0.11 0.27 0.03 0.00 0.26 0.00 0.00 34.13 34.57 3di3 s GLU 52 CO 0.18 -0.18 0.18 -1.50 -0.54 0.00 0.00 175.26 173.40 3di3 s ILE 53 N -3.86 -0.02 0.11 -3.70 2.07 -1.09 -0.95 121.20 113.76 3di3 s ILE 53 Ca 0.06 0.06 0.03 0.00 -1.41 0.00 0.00 60.65 59.39 3di3 s ILE 53 Cb 0.06 -0.27 -0.04 0.00 0.13 0.00 0.00 42.46 42.34 3di3 s ILE 53 CO -0.10 0.03 -0.08 0.00 -1.91 0.00 0.00 174.94 172.87 3di3 n GLY 55 N 0.04 -2.14 2.75 0.00 0.00 -1.04 0.95 105.19 105.76 3di3 n GLY 55 Ca -0.12 -1.38 -0.07 0.00 0.00 0.00 0.00 46.02 44.45 3di3 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3di3 n ALA 56 N -1.12 -0.10 -2.50 4.61 0.00 -1.26 -4.60 120.51 115.53 3di3 n ALA 56 Ca 0.00 0.11 -0.21 0.00 0.00 0.00 0.00 53.44 53.34 3di3 n ALA 56 Cb 0.00 -1.53 -0.03 0.00 0.00 0.00 0.00 19.45 17.89 3di3 n ALA 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3di3 s LEU 57 N -1.55 3.67 0.00 0.00 1.43 -1.26 0.79 118.68 121.75 3di3 s LEU 57 Ca 0.00 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 3di3 s LEU 57 Cb 0.00 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 43.91 3di3 s LEU 57 CO 0.00 -0.36 0.00 1.33 0.23 0.00 0.00 176.35 177.55 3di3 n VAL 58 N -1.42 0.00 -0.26 -1.59 0.24 -0.98 -4.79 118.33 109.54 3di3 n VAL 58 Ca -0.02 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.19 3di3 n VAL 58 Cb 0.59 -0.23 -0.05 0.00 -1.47 0.00 0.00 33.84 32.68 3di3 n VAL 58 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3di3 h GLU 59 N 0.00 -0.18 -7.20 7.34 3.07 -2.00 -3.41 114.58 112.20 3di3 h GLU 59 Ca 0.00 0.01 -0.46 0.00 -0.50 0.00 0.00 59.36 58.41 3di3 h GLU 59 Cb 0.00 0.04 0.09 0.00 -0.84 0.00 0.00 28.75 28.04 3di3 h GLU 59 CO 0.00 -0.12 0.15 0.14 -1.40 0.00 0.00 179.01 177.78 3di3 s VAL 60 N -5.75 2.23 -0.24 3.13 -7.23 -1.26 -5.04 120.40 106.24 3di3 s VAL 60 Ca -0.14 -0.46 0.00 0.00 -1.81 0.00 0.00 61.98 59.57 3di3 s VAL 60 Cb 0.13 -2.77 -0.15 0.00 0.56 0.00 0.00 36.38 34.15 3di3 s VAL 60 CO 0.65 0.00 -0.22 2.29 -0.31 0.00 0.00 175.10 177.51 3di3 n LYS 61 N -2.90 0.58 -4.08 4.82 -0.00 -1.26 -4.73 118.16 110.58 3di3 n LYS 61 Ca 0.13 0.15 -0.10 0.00 -0.00 0.00 0.00 58.31 58.48 3di3 n LYS 61 Cb 0.60 -1.46 -0.11 0.00 -0.00 0.00 0.00 35.03 34.07 3di3 n LYS 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3di3 s LEU 63 N -2.28 2.26 -0.17 0.00 1.43 -0.55 -5.00 118.68 114.38 3di3 s LEU 63 Ca -0.01 -0.60 -0.13 0.00 -1.03 0.00 0.00 54.13 52.36 3di3 s LEU 63 Cb -0.02 -0.59 -0.05 0.00 0.03 0.00 0.00 46.19 45.56 3di3 s LEU 63 CO -0.04 -0.04 0.25 0.20 0.23 0.00 0.00 176.35 176.96 3di3 s ASN 64 N -1.67 6.39 0.68 2.29 0.01 -1.26 -2.67 114.94 118.70 3di3 s ASN 64 Ca -0.00 0.45 -0.12 0.00 -0.71 0.00 0.00 52.86 52.48 3di3 s ASN 64 Cb -0.10 -2.16 0.00 0.00 0.41 0.00 0.00 41.25 39.41 3di3 s ASN 64 CO 0.02 0.13 1.07 -0.36 -1.51 0.00 0.00 177.10 176.45 3di3 s PHE 65 N 0.37 2.96 0.57 2.20 0.40 -0.66 -4.93 117.98 118.89 3di3 s PHE 65 Ca 0.15 1.48 0.08 0.00 -0.60 0.00 0.00 56.93 58.03 3di3 s PHE 65 Cb -0.13 -2.96 0.08 0.00 0.51 0.00 0.00 43.02 40.52 3di3 s PHE 65 CO 0.03 -1.33 0.79 1.03 0.70 0.00 0.00 175.22 176.43 3di3 s ARG 66 N -4.70 2.30 -0.16 0.44 0.52 -0.78 -4.78 118.95 111.80 3di3 s ARG 66 Ca 0.61 -1.47 -0.05 0.00 -0.52 0.00 0.00 55.73 54.30 3di3 s ARG 66 Cb -0.15 -2.61 0.06 0.00 0.52 0.00 0.00 34.95 32.76 3di3 s ARG 66 CO 0.50 -0.85 0.10 0.21 0.02 0.00 0.00 175.30 175.27 3di3 s LYS 67 N -4.69 0.06 -0.15 3.54 2.47 -1.26 -2.87 119.74 116.84 3di3 s LYS 67 Ca 0.61 -0.00 0.01 0.00 -1.56 0.00 0.00 55.97 55.03 3di3 s LYS 67 Cb -0.06 -1.62 -0.00 0.00 -1.46 0.00 0.00 37.83 34.68 3di3 s LYS 67 CO 0.39 -0.63 -0.16 -0.51 0.16 0.00 0.00 175.35 174.59 3di3 s LEU 68 N 2.16 2.43 0.00 5.43 1.43 0.50 -5.00 118.68 125.63 3di3 s LEU 68 Ca 0.03 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 3di3 s LEU 68 Cb -0.16 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.52 3di3 s LEU 68 CO -0.09 0.09 0.00 1.67 0.23 0.00 0.00 176.35 178.26 3di3 n GLN 69 N 4.00 0.00 -0.00 1.70 7.27 -1.26 -0.17 117.38 128.92 3di3 n GLN 69 Ca -0.19 0.00 0.08 0.00 0.07 0.00 0.00 57.00 56.96 3di3 n GLN 69 Cb 0.52 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.07 3di3 n GLN 69 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3di3 n GLU 70 N 0.00 1.12 -4.21 3.69 1.02 -1.26 -4.99 120.64 116.01 3di3 n GLU 70 Ca 0.00 -0.01 -0.27 0.00 -0.02 0.00 0.00 57.16 56.86 3di3 n GLU 70 Cb 0.00 -1.34 -0.08 0.00 -0.02 0.00 0.00 31.44 30.00 3di3 n GLU 70 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3di3 s ILE 71 N -2.69 3.64 0.07 -3.67 -4.36 0.75 -4.79 121.20 110.15 3di3 s ILE 71 Ca 0.06 -1.41 0.07 0.00 -0.26 0.00 0.00 60.65 59.11 3di3 s ILE 71 Cb 0.13 -2.81 -0.04 0.00 1.25 0.00 0.00 42.46 41.00 3di3 s ILE 71 CO 0.73 -0.08 -0.13 -0.31 0.24 0.00 0.00 174.94 175.39 3di3 s TYR 72 N -1.65 2.68 -0.17 1.37 1.51 -1.00 -0.37 117.35 119.72 3di3 s TYR 72 Ca 0.26 -0.18 -0.35 0.00 -1.01 0.00 0.00 57.07 55.79 3di3 s TYR 72 Cb -0.10 -1.46 0.15 0.00 -0.11 0.00 0.00 41.96 40.44 3di3 s TYR 72 CO 0.18 0.36 1.34 -0.59 -1.11 0.00 0.00 175.55 175.73 3di3 s PHE 73 N -1.08 -0.04 0.10 2.71 -0.71 -1.14 -0.71 117.98 117.12 3di3 s PHE 73 Ca 0.18 0.01 0.02 0.00 -1.04 0.00 0.00 56.93 56.10 3di3 s PHE 73 Cb -0.11 0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 42.17 3di3 s PHE 73 CO 0.09 -0.10 -0.07 0.96 -1.34 0.00 0.00 175.22 174.76 3di3 s ILE 74 N -2.18 0.75 -0.36 -4.49 -4.36 0.19 -1.86 121.20 108.89 3di3 s ILE 74 Ca 0.12 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.58 3di3 s ILE 74 Cb 0.02 -1.69 0.12 0.00 1.25 0.00 0.00 42.46 42.17 3di3 s ILE 74 CO -0.04 -0.85 0.18 -1.61 0.24 0.00 0.00 174.94 172.86 3di3 s GLU 75 N -3.79 0.82 0.48 0.37 2.02 -1.26 -1.35 118.70 115.99 3di3 s GLU 75 Ca 0.12 -1.41 0.02 0.00 0.02 0.00 0.00 54.97 53.72 3di3 s GLU 75 Cb 0.05 -1.86 -0.01 0.00 0.10 0.00 0.00 34.13 32.41 3di3 s GLU 75 CO -0.04 -1.11 0.08 -0.08 0.02 0.00 0.00 175.26 174.13 3di3 s THR 76 N 1.09 0.73 -0.10 3.63 -1.32 -0.92 -4.93 115.64 113.82 3di3 s THR 76 Ca 0.14 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.64 3di3 s THR 76 Cb -0.21 -2.13 -0.00 0.00 -1.51 0.00 0.00 72.50 68.64 3di3 s THR 76 CO -0.11 0.00 0.29 0.29 -2.21 0.00 0.00 174.62 172.89 3di3 n LYS 77 N -1.14 2.87 0.00 7.08 5.02 -1.26 -0.96 118.16 129.77 3di3 n LYS 77 Ca -0.14 -0.29 0.07 0.00 -2.02 0.00 0.00 58.31 55.93 3di3 n LYS 77 Cb 0.66 -0.79 0.43 0.00 -0.02 0.00 0.00 35.03 35.31 3di3 n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3di3 n LYS 78 N -0.47 0.56 -2.51 1.97 5.02 -1.26 -4.79 118.16 116.67 3di3 n LYS 78 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.87 3di3 n LYS 78 Cb 0.02 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 33.60 3di3 n LYS 78 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3di3 s PHE 79 N -2.00 3.00 0.13 2.13 0.08 -1.26 -2.32 117.98 117.74 3di3 s PHE 79 Ca 0.22 1.14 -0.13 0.00 0.12 0.00 0.00 56.93 58.28 3di3 s PHE 79 Cb 0.10 -3.51 -0.03 0.00 -0.57 0.00 0.00 43.02 39.01 3di3 s PHE 79 CO 0.17 -1.25 1.51 1.25 -0.10 0.00 0.00 175.22 176.80 3di3 h LEU 80 N 9.84 0.86 0.49 -0.37 5.85 0.07 -3.48 115.31 128.57 3di3 h LEU 80 Ca -0.24 -0.40 -0.12 0.00 0.84 0.00 0.00 57.88 57.97 3di3 h LEU 80 Cb 1.09 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 3di3 h LEU 80 CO 0.99 1.06 -0.13 0.18 -0.34 0.00 0.00 178.44 180.20 3di3 n LEU 81 N -4.25 -0.74 -3.97 2.25 4.77 -1.26 -5.03 117.00 108.78 3di3 n LEU 81 Ca -0.01 0.09 -0.27 0.00 -0.03 0.00 0.00 56.01 55.78 3di3 n LEU 81 Cb 0.42 -1.18 -0.17 0.00 -2.33 0.00 0.00 43.42 40.16 3di3 n LEU 81 CO 0.44 -0.22 -0.46 -0.63 -1.33 0.00 0.00 177.39 175.19 3di3 s ILE 82 N -2.25 1.23 0.20 -0.08 -1.09 -1.26 -4.86 121.20 113.08 3di3 s ILE 82 Ca 0.00 -0.44 0.00 0.00 -2.23 0.00 0.00 60.65 57.98 3di3 s ILE 82 Cb 0.00 -1.18 0.00 0.00 -1.58 0.00 0.00 42.46 39.70 3di3 s ILE 82 CO 0.00 0.40 0.00 0.61 -1.23 0.00 0.00 174.94 174.72 3di3 n GLY 83 N 4.65 -2.25 3.81 6.18 0.00 -1.26 -4.70 105.19 111.62 3di3 n GLY 83 Ca -0.16 -1.34 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 3di3 n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3di3 s LYS 84 N -2.54 1.91 -0.03 1.61 1.02 -1.26 -4.70 119.74 115.76 3di3 s LYS 84 Ca 0.00 0.54 -0.06 0.00 0.02 0.00 0.00 55.97 56.47 3di3 s LYS 84 Cb 0.00 -1.91 0.01 0.00 -0.52 0.00 0.00 37.83 35.41 3di3 s LYS 84 CO 0.00 -1.72 0.15 -1.54 -0.92 0.00 0.00 175.35 171.32 3di3 s SER 85 N -3.97 -0.06 -0.27 2.83 1.04 0.32 -4.07 113.70 109.53 3di3 s SER 85 Ca 0.61 0.03 -0.25 0.00 0.48 0.00 0.00 55.95 56.82 3di3 s SER 85 Cb -0.14 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.24 3di3 s SER 85 CO 0.54 -0.23 0.88 0.54 0.98 0.00 0.00 173.24 175.95 3di3 s ASN 86 N -0.71 6.83 -0.24 7.02 2.20 0.27 -1.97 114.94 128.35 3di3 s ASN 86 Ca -0.08 0.98 -0.01 0.00 -0.94 0.00 0.00 52.86 52.81 3di3 s ASN 86 Cb -0.05 -2.46 0.03 0.00 -2.00 0.00 0.00 41.25 36.77 3di3 s ASN 86 CO 0.01 -0.61 -0.08 -0.63 -2.94 0.00 0.00 177.10 172.85 3di3 s ILE 87 N 3.02 2.76 0.13 0.54 1.01 -0.85 0.11 121.20 127.92 3di3 s ILE 87 Ca 0.37 -1.02 0.09 0.00 0.00 0.00 0.00 60.65 60.09 3di3 s ILE 87 Cb -0.15 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 3di3 s ILE 87 CO 0.10 0.24 -0.23 0.00 0.00 0.00 0.00 174.94 175.05 3di3 s VAL 89 N -1.29 4.86 0.06 0.00 1.01 0.25 -1.93 120.40 123.35 3di3 s VAL 89 Ca 0.11 1.13 -0.09 0.00 0.00 0.00 0.00 61.98 63.13 3di3 s VAL 89 Cb -0.09 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3di3 s VAL 89 CO 0.06 0.51 0.19 -0.75 0.00 0.00 0.00 175.10 175.11 3di3 s LYS 90 N -0.78 0.75 -0.10 2.72 2.20 0.07 -2.09 119.74 122.51 3di3 s LYS 90 Ca 0.28 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 55.14 3di3 s LYS 90 Cb -0.18 0.31 0.02 0.00 -1.51 0.00 0.00 37.83 36.47 3di3 s LYS 90 CO 0.17 -0.22 -0.08 0.08 -0.36 0.00 0.00 175.35 174.93 3di3 s VAL 91 N -3.04 0.99 0.00 4.02 1.01 -0.54 -0.24 120.40 122.60 3di3 s VAL 91 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.66 3di3 s VAL 91 Cb 0.01 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.40 3di3 s VAL 91 CO -0.06 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.00 3di3 n GLY 92 N 4.63 0.22 0.00 4.51 0.00 -1.25 0.31 105.19 113.61 3di3 n GLY 92 Ca -0.15 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.43 3di3 n GLY 92 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3di3 n GLU 93 N 0.00 0.14 -1.52 1.61 4.07 -1.26 -5.05 120.64 118.62 3di3 n GLU 93 Ca 0.00 0.00 -0.45 0.00 -0.06 0.00 0.00 57.16 56.65 3di3 n GLU 93 Cb 0.00 -0.53 -0.05 0.00 -0.06 0.00 0.00 31.44 30.80 3di3 n GLU 93 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3di3 n LYS 94 N -0.97 1.33 -2.70 5.31 4.76 0.15 -4.92 118.16 121.11 3di3 n LYS 94 Ca 0.00 0.31 -0.41 0.00 -2.87 0.00 0.00 58.31 55.34 3di3 n LYS 94 Cb 0.03 -2.86 -0.04 0.00 -1.84 0.00 0.00 35.03 30.31 3di3 n LYS 94 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3di3 s SER 95 N 8.66 7.47 0.00 4.39 0.15 -1.26 -1.46 113.70 131.65 3di3 s SER 95 Ca 1.06 1.84 0.00 0.00 0.70 0.00 0.00 55.95 59.55 3di3 s SER 95 Cb -0.57 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.15 3di3 s SER 95 CO 0.40 -0.08 0.00 0.18 1.20 0.00 0.00 173.24 174.94 3di3 n LEU 96 N 2.67 0.00 -4.70 3.45 4.77 -0.89 -4.99 117.00 117.31 3di3 n LEU 96 Ca 0.02 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.65 3di3 n LEU 96 Cb 0.49 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 3di3 n LEU 96 CO 0.51 0.00 -0.29 0.42 -1.33 0.00 0.00 177.39 176.70 3di3 s THR 97 N 0.32 4.45 0.00 -5.08 -4.23 -1.26 -4.96 115.64 104.88 3di3 s THR 97 Ca 0.00 -0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.32 3di3 s THR 97 Cb 0.00 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 70.95 3di3 s THR 97 CO 0.00 0.60 0.00 0.00 -0.54 0.00 0.00 174.62 174.68 3di3 n LYS 99 N -0.01 0.00 -2.95 0.00 4.81 -0.74 -4.89 118.16 114.39 3di3 n LYS 99 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 3di3 n LYS 99 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 3di3 n LYS 99 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3di3 s LYS 100 N 0.00 3.84 0.14 1.64 -0.14 -1.26 -2.01 119.74 121.94 3di3 s LYS 100 Ca 0.00 0.42 0.08 0.00 -1.36 0.00 0.00 55.97 55.11 3di3 s LYS 100 Cb 0.00 -3.78 -0.04 0.00 -1.68 0.00 0.00 37.83 32.34 3di3 s LYS 100 CO 0.00 -0.78 -0.17 0.42 -0.76 0.00 0.00 175.35 174.05 3di3 s ILE 101 N 3.05 1.63 -0.41 2.17 1.01 -0.83 -4.86 121.20 122.96 3di3 s ILE 101 Ca 0.32 -1.77 -0.04 0.00 0.00 0.00 0.00 60.65 59.16 3di3 s ILE 101 Cb -0.14 -1.67 0.10 0.00 0.01 0.00 0.00 42.46 40.77 3di3 s ILE 101 CO 0.15 -0.29 0.21 -0.62 0.00 0.00 0.00 174.94 174.39 3di3 s ASP 102 N -2.42 5.32 0.60 3.58 -1.08 -1.26 -0.52 116.67 120.89 3di3 s ASP 102 Ca 0.11 -1.88 0.28 0.00 -0.52 0.00 0.00 52.55 50.54 3di3 s ASP 102 Cb -0.06 -1.86 1.09 0.00 -1.46 0.00 0.00 42.92 40.63 3di3 s ASP 102 CO 0.05 -0.53 1.46 -0.07 0.52 0.00 0.00 175.17 176.59 3di3 h LEU 103 N 8.13 0.00 -0.01 -1.34 -0.00 -1.95 0.24 115.31 120.37 3di3 h LEU 103 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.72 3di3 h LEU 103 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.72 3di3 h LEU 103 CO 0.71 0.00 0.00 0.35 -0.00 0.00 0.00 178.44 179.50 3di3 n THR 104 N -3.38 0.00 0.22 0.22 -2.24 -1.26 -2.85 114.28 104.99 3di3 n THR 104 Ca 0.21 -0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.01 3di3 n THR 104 Cb 1.35 -0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 69.31 3di3 n THR 104 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3di3 n THR 105 N -0.72 0.00 -1.71 4.28 -2.24 0.83 0.51 114.28 115.23 3di3 n THR 105 Ca 0.11 -0.31 -0.21 0.00 -2.27 0.00 0.00 64.05 61.37 3di3 n THR 105 Cb 0.05 0.86 0.08 0.00 -2.10 0.00 0.00 70.33 69.22 3di3 n THR 105 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3di3 n ILE 106 N -1.27 2.80 -2.70 2.28 -5.35 -1.08 -1.94 119.36 112.10 3di3 n ILE 106 Ca 0.01 -3.53 -0.43 0.00 -0.27 0.00 0.00 62.75 58.53 3di3 n ILE 106 Cb 0.11 -0.92 -0.02 0.00 -1.74 0.00 0.00 39.64 37.06 3di3 n ILE 106 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3di3 s VAL 107 N -4.30 4.73 -0.35 7.28 1.01 -0.24 -0.56 120.40 127.98 3di3 s VAL 107 Ca 0.53 1.98 -0.09 0.00 0.00 0.00 0.00 61.98 64.39 3di3 s VAL 107 Cb 0.43 -4.29 0.02 0.00 0.00 0.00 0.00 36.38 32.55 3di3 s VAL 107 CO 0.01 -0.12 0.17 -0.75 0.00 0.00 0.00 175.10 174.41 3di3 s LYS 108 N 2.85 2.86 1.09 2.72 2.20 -0.20 -2.02 119.74 129.24 3di3 s LYS 108 Ca 0.44 -1.04 -0.13 0.00 -0.36 0.00 0.00 55.97 54.88 3di3 s LYS 108 Cb -0.16 -3.62 0.24 0.00 -1.51 0.00 0.00 37.83 32.78 3di3 s LYS 108 CO 0.09 -0.64 1.06 -2.14 -0.36 0.00 0.00 175.35 173.37 3di3 s PRO 109 N 1.52 -0.29 0.24 4.03 0.02 -1.26 -4.62 135.00 134.63 3di3 s PRO 109 Ca 0.01 0.58 -0.20 0.00 0.02 0.00 0.00 61.00 61.42 3di3 s PRO 109 Cb -0.19 -1.65 -0.08 0.00 0.02 0.00 0.00 34.50 32.60 3di3 s PRO 109 CO 0.05 -3.23 0.74 -1.21 -0.33 0.00 0.00 177.00 173.02 3di3 s GLU 110 N -4.78 4.25 0.75 5.54 2.02 -1.26 -4.38 118.70 120.84 3di3 s GLU 110 Ca 0.67 0.88 -0.14 0.00 0.02 0.00 0.00 54.97 56.40 3di3 s GLU 110 Cb -0.21 -2.83 0.05 0.00 0.10 0.00 0.00 34.13 31.24 3di3 s GLU 110 CO 0.60 0.37 1.16 0.00 0.02 0.00 0.00 175.26 177.41 3di3 s ALA 111 N -1.57 2.10 0.76 5.21 0.00 -1.26 -4.78 121.76 122.21 3di3 s ALA 111 Ca 0.44 0.68 -0.11 0.00 0.00 0.00 0.00 51.96 52.97 3di3 s ALA 111 Cb -0.16 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 19.59 3di3 s ALA 111 CO 0.21 -1.89 1.09 -2.14 0.00 0.00 0.00 175.76 173.03 3di3 s PRO 112 N -4.20 2.44 0.26 0.00 0.02 -1.26 -4.76 135.00 127.50 3di3 s PRO 112 Ca 0.70 0.65 0.03 0.00 0.02 0.00 0.00 61.00 62.40 3di3 s PRO 112 Cb -0.25 -1.96 -0.01 0.00 0.02 0.00 0.00 34.50 32.31 3di3 s PRO 112 CO 0.48 -1.38 0.28 1.97 -0.33 0.00 0.00 177.00 178.02 3di3 n PHE 113 N -3.27 -0.86 -3.81 6.54 -1.74 0.13 -4.41 117.46 110.05 3di3 n PHE 113 Ca 0.07 -2.03 -0.30 0.00 -0.56 0.00 0.00 57.45 54.63 3di3 n PHE 113 Cb 0.56 0.31 0.01 0.00 1.52 0.00 0.00 39.48 41.88 3di3 n PHE 113 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 3di3 n ASP 114 N -1.89 -4.46 -4.77 5.98 9.92 -1.26 0.22 116.55 120.28 3di3 n ASP 114 Ca 0.04 -0.71 -0.35 0.00 -0.53 0.00 0.00 54.79 53.24 3di3 n ASP 114 Cb 0.46 -3.59 0.00 0.00 -0.64 0.00 0.00 41.12 37.35 3di3 n ASP 114 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3di3 s LEU 115 N -7.09 3.72 -0.28 0.64 2.96 -1.26 -4.06 118.68 113.31 3di3 s LEU 115 Ca 0.61 2.15 -0.26 0.00 -0.22 0.00 0.00 54.13 56.41 3di3 s LEU 115 Cb -0.31 -4.58 0.17 0.00 0.50 0.00 0.00 46.19 41.96 3di3 s LEU 115 CO 0.75 -1.23 1.27 -0.55 -1.32 0.00 0.00 176.35 175.27 3di3 s SER 116 N -1.85 -0.19 -0.06 3.68 0.15 0.09 -4.95 113.70 110.56 3di3 s SER 116 Ca 0.72 0.33 0.04 0.00 0.70 0.00 0.00 55.95 57.74 3di3 s SER 116 Cb -0.23 0.32 -0.02 0.00 -1.71 0.00 0.00 66.02 64.38 3di3 s SER 116 CO 0.28 -0.09 -0.18 -0.69 1.20 0.00 0.00 173.24 173.76 3di3 s VAL 117 N -0.22 2.73 -0.03 4.45 1.01 -1.26 -0.93 120.40 126.15 3di3 s VAL 117 Ca 0.05 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.26 3di3 s VAL 117 Cb -0.04 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 3di3 s VAL 117 CO -0.10 0.58 -0.18 -0.69 0.00 0.00 0.00 175.10 174.70 3di3 s VAL 118 N -0.45 1.48 -0.15 2.92 1.01 -0.58 -4.93 120.40 119.71 3di3 s VAL 118 Ca 0.05 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 3di3 s VAL 118 Cb -0.12 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 3di3 s VAL 118 CO 0.02 0.42 0.03 -0.47 0.00 0.00 0.00 175.10 175.10 3di3 s TYR 119 N -0.25 3.21 -0.32 5.22 5.04 -1.26 -0.11 117.35 128.88 3di3 s TYR 119 Ca 0.03 0.05 -0.04 0.00 -2.44 0.00 0.00 57.07 54.67 3di3 s TYR 119 Cb -0.09 -1.98 0.04 0.00 0.35 0.00 0.00 41.96 40.28 3di3 s TYR 119 CO 0.01 0.22 0.05 0.50 -1.34 0.00 0.00 175.55 174.99 3di3 s ARG 120 N 0.01 2.55 0.40 4.97 6.06 -1.12 -4.93 118.95 126.88 3di3 s ARG 120 Ca 0.04 -1.21 0.28 0.00 -2.50 0.00 0.00 55.73 52.35 3di3 s ARG 120 Cb -0.12 -3.32 1.32 0.00 0.06 0.00 0.00 34.95 32.88 3di3 s ARG 120 CO 0.01 -0.63 1.85 1.05 -2.50 0.00 0.00 175.30 175.09 3di3 h GLU 121 N 8.11 0.00 0.42 5.12 4.11 -1.98 -0.36 114.58 130.00 3di3 h GLU 121 Ca -0.23 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.18 3di3 h GLU 121 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3di3 h GLU 121 CO 0.57 0.00 -0.20 0.78 0.07 0.00 0.00 179.01 180.23 3di3 h GLY 122 N 1.38 -0.59 -0.95 1.06 0.00 -1.97 -3.36 103.07 98.64 3di3 h GLY 122 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3di3 h GLY 122 CO 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 176.54 176.27 3di3 n ALA 123 N -2.70 2.64 -3.57 3.60 0.00 -1.16 -5.00 120.51 114.31 3di3 n ALA 123 Ca -0.08 -0.54 -0.24 0.00 0.00 0.00 0.00 53.44 52.58 3di3 n ALA 123 Cb 0.25 -1.01 0.05 0.00 0.00 0.00 0.00 19.45 18.73 3di3 n ALA 123 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3di3 n ASN 124 N 0.50 -4.55 -3.28 0.00 4.13 -0.16 -4.91 115.26 106.99 3di3 n ASN 124 Ca 0.16 -0.89 -0.14 0.00 1.68 0.00 0.00 54.58 55.39 3di3 n ASN 124 Cb 0.45 -4.04 -0.04 0.00 -1.54 0.00 0.00 39.78 34.61 3di3 n ASN 124 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 3di3 s ASP 125 N -3.69 0.84 -0.15 6.41 1.47 -1.24 -0.88 116.67 119.44 3di3 s ASP 125 Ca 0.35 -1.45 0.00 0.00 1.18 0.00 0.00 52.55 52.63 3di3 s ASP 125 Cb -0.10 0.66 0.03 0.00 -0.34 0.00 0.00 42.92 43.17 3di3 s ASP 125 CO 0.82 -1.30 -0.11 -0.36 0.68 0.00 0.00 175.17 174.90 3di3 s PHE 126 N -3.09 2.00 -0.42 2.11 0.08 0.47 -2.78 117.98 116.35 3di3 s PHE 126 Ca 0.30 -1.15 -0.19 0.00 0.12 0.00 0.00 56.93 56.01 3di3 s PHE 126 Cb -0.00 -1.49 0.02 0.00 -0.57 0.00 0.00 43.02 40.98 3di3 s PHE 126 CO 0.19 -0.64 0.54 0.08 -0.10 0.00 0.00 175.22 175.30 3di3 s VAL 127 N 1.54 4.96 -0.24 -0.44 1.01 0.84 -0.09 120.40 127.99 3di3 s VAL 127 Ca 0.04 -0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.81 3di3 s VAL 127 Cb -0.13 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 3di3 s VAL 127 CO -0.09 -0.47 0.47 0.68 0.00 0.00 0.00 175.10 175.69 3di3 s VAL 128 N 2.48 5.12 0.06 2.92 -7.23 0.26 -1.53 120.40 122.48 3di3 s VAL 128 Ca 0.18 0.81 0.04 0.00 -1.81 0.00 0.00 61.98 61.20 3di3 s VAL 128 Cb -0.15 -3.79 -0.03 0.00 0.56 0.00 0.00 36.38 32.97 3di3 s VAL 128 CO 0.16 0.15 -0.12 0.42 -0.31 0.00 0.00 175.10 175.40 3di3 s THR 129 N 1.96 0.89 0.30 5.32 -4.23 -0.11 0.77 115.64 120.54 3di3 s THR 129 Ca 0.20 -1.23 -0.17 0.00 -1.18 0.00 0.00 61.69 59.31 3di3 s THR 129 Cb -0.15 -0.91 0.02 0.00 1.34 0.00 0.00 72.50 72.80 3di3 s THR 129 CO 0.09 -0.29 0.67 0.72 -0.54 0.00 0.00 174.62 175.27 3di3 s PHE 130 N -1.35 0.05 0.22 3.99 -0.71 -0.96 -0.73 117.98 118.49 3di3 s PHE 130 Ca -0.05 -0.52 0.08 0.00 -1.04 0.00 0.00 56.93 55.41 3di3 s PHE 130 Cb -0.10 0.59 -0.05 0.00 -1.21 0.00 0.00 43.02 42.25 3di3 s PHE 130 CO 0.01 -1.25 -0.14 1.21 -1.34 0.00 0.00 175.22 173.72 3di3 s ASN 131 N -2.98 2.70 -0.01 1.98 3.84 0.13 -4.76 114.94 115.84 3di3 s ASN 131 Ca 0.15 -1.05 -0.01 0.00 0.21 0.00 0.00 52.86 52.17 3di3 s ASN 131 Cb -0.04 -0.16 0.01 0.00 -0.55 0.00 0.00 41.25 40.50 3di3 s ASN 131 CO 0.09 -0.18 0.02 0.28 -2.79 0.00 0.00 177.10 174.52 3di3 s THR 132 N -2.93 -0.01 -1.61 -5.21 -1.32 -1.26 -0.69 115.64 102.61 3di3 s THR 132 Ca 0.24 0.03 0.29 0.00 -1.21 0.00 0.00 61.69 61.04 3di3 s THR 132 Cb -0.00 -0.04 0.61 0.00 -1.51 0.00 0.00 72.50 71.56 3di3 s THR 132 CO 0.08 0.01 2.04 -1.54 -2.21 0.00 0.00 174.62 173.00 3di3 n SER 133 N 3.22 0.00 0.22 8.08 3.41 -1.26 -3.28 113.62 124.01 3di3 n SER 133 Ca -0.14 -0.38 0.15 0.00 -0.26 0.00 0.00 58.87 58.23 3di3 n SER 133 Cb 0.59 -0.19 0.49 0.00 -0.26 0.00 0.00 64.21 64.83 3di3 n SER 133 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3di3 h HIS 134 N 0.00 0.00 -0.38 7.33 3.86 -1.91 -3.16 115.15 120.88 3di3 h HIS 134 Ca 0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 3di3 h HIS 134 Cb 0.18 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 3di3 h HIS 134 CO 0.00 0.00 -0.13 -0.07 0.86 0.00 0.00 177.93 178.59 3di3 h LEU 135 N 0.00 0.67 -1.83 2.43 3.38 -1.79 -2.59 115.31 115.59 3di3 h LEU 135 Ca 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3di3 h LEU 135 Cb 0.64 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3di3 h LEU 135 CO 0.00 0.83 0.00 0.00 0.09 0.00 0.00 178.44 179.36 3di3 n GLN 136 N -4.17 2.42 -2.69 1.13 3.00 -1.20 -4.93 117.38 110.94 3di3 n GLN 136 Ca 0.01 -1.43 -0.22 0.00 -0.01 0.00 0.00 57.00 55.36 3di3 n GLN 136 Cb 0.36 -1.60 0.07 0.00 0.00 0.00 0.00 30.24 29.07 3di3 n GLN 136 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3di3 s LYS 137 N -1.70 2.18 -0.09 -1.09 1.02 -0.97 -5.06 119.74 114.02 3di3 s LYS 137 Ca 0.25 -1.06 0.14 0.00 0.02 0.00 0.00 55.97 55.33 3di3 s LYS 137 Cb 0.17 -2.46 -0.21 0.00 -0.52 0.00 0.00 37.83 34.80 3di3 s LYS 137 CO 0.12 -1.00 0.19 1.63 -0.92 0.00 0.00 175.35 175.36 3di3 n LYS 138 N -2.50 1.08 0.00 1.68 4.01 -1.26 -4.76 118.16 116.41 3di3 n LYS 138 Ca 0.12 -0.07 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 3di3 n LYS 138 Cb 0.60 -1.38 0.00 0.00 -0.51 0.00 0.00 35.03 33.74 3di3 n LYS 138 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 3di3 n TYR 139 N -2.32 0.00 -1.80 2.13 4.01 -1.26 -4.79 117.16 113.13 3di3 n TYR 139 Ca -0.14 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.18 3di3 n TYR 139 Cb 0.72 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.75 3di3 n TYR 139 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3di3 n VAL 140 N -1.10 3.33 -0.08 -0.72 0.31 -1.26 -4.64 118.33 114.16 3di3 n VAL 140 Ca 0.00 -3.00 -0.14 0.00 -0.01 0.00 0.00 64.34 61.18 3di3 n VAL 140 Cb 0.00 -2.54 -0.09 0.00 -0.91 0.00 0.00 33.84 30.30 3di3 n VAL 140 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3di3 h LYS 141 N 6.48 0.00 -6.27 5.55 1.57 -1.86 -3.45 116.57 118.59 3di3 h LYS 141 Ca 0.53 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.76 3di3 h LYS 141 Cb 0.68 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 3di3 h LYS 141 CO 1.82 0.75 0.83 0.08 -0.57 0.00 0.00 179.45 182.36 3di3 s VAL 142 N -2.20 4.07 0.33 0.50 1.01 -1.26 -4.54 120.40 118.31 3di3 s VAL 142 Ca -0.20 1.37 0.04 0.00 0.00 0.00 0.00 61.98 63.19 3di3 s VAL 142 Cb 0.02 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 3di3 s VAL 142 CO 0.51 -0.05 0.06 -0.76 0.00 0.00 0.00 175.10 174.85 3di3 s LEU 143 N 2.82 2.23 -0.22 3.92 1.43 -1.26 -2.79 118.68 124.81 3di3 s LEU 143 Ca 0.59 -1.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.30 3di3 s LEU 143 Cb -0.26 -0.42 0.06 0.00 0.03 0.00 0.00 46.19 45.60 3di3 s LEU 143 CO 0.21 -0.60 -0.00 -0.32 0.23 0.00 0.00 176.35 175.87 3di3 s MET 144 N -3.88 1.15 0.43 1.70 1.75 -0.47 -4.70 119.30 115.28 3di3 s MET 144 Ca 0.36 -0.77 -0.11 0.00 -1.25 0.00 0.00 55.69 53.93 3di3 s MET 144 Cb 0.09 -2.36 -0.06 0.00 2.84 0.00 0.00 34.83 35.34 3di3 s MET 144 CO 0.16 -0.65 0.80 -1.01 -0.65 0.00 0.00 175.02 173.67 3di3 s HIS 145 N 1.60 3.48 -0.31 4.11 0.09 -1.12 -2.02 115.29 121.11 3di3 s HIS 145 Ca -0.03 1.08 -0.02 0.00 -0.00 0.00 0.00 55.06 56.10 3di3 s HIS 145 Cb -0.18 -2.48 0.10 0.00 -0.00 0.00 0.00 32.58 30.03 3di3 s HIS 145 CO -0.08 -0.16 0.13 0.34 -0.00 0.00 0.00 174.74 174.96 3di3 s ASP 146 N -3.25 3.76 -0.08 1.40 2.15 0.08 -1.69 116.67 119.04 3di3 s ASP 146 Ca 0.52 -1.61 -0.28 0.00 0.43 0.00 0.00 52.55 51.61 3di3 s ASP 146 Cb -0.10 -0.65 -0.02 0.00 -0.30 0.00 0.00 42.92 41.84 3di3 s ASP 146 CO 0.33 -0.41 0.91 -0.69 -0.17 0.00 0.00 175.17 175.14 3di3 s VAL 147 N 1.68 4.88 0.01 1.11 1.01 -0.53 -2.83 120.40 125.72 3di3 s VAL 147 Ca 0.11 1.86 0.07 0.00 0.00 0.00 0.00 61.98 64.01 3di3 s VAL 147 Cb -0.18 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 3di3 s VAL 147 CO -0.26 0.10 -0.20 0.00 0.00 0.00 0.00 175.10 174.73 3di3 s ALA 148 N 1.53 1.71 -0.17 5.51 0.00 0.49 -0.01 121.76 130.82 3di3 s ALA 148 Ca 0.45 -0.95 -0.12 0.00 0.00 0.00 0.00 51.96 51.34 3di3 s ALA 148 Cb -0.19 -0.38 0.05 0.00 0.00 0.00 0.00 23.12 22.60 3di3 s ALA 148 CO 0.20 0.40 0.43 1.52 0.00 0.00 0.00 175.76 178.30 3di3 s TYR 149 N -0.63 -0.55 0.35 0.00 1.13 -1.07 -0.80 117.35 115.79 3di3 s TYR 149 Ca 0.08 1.24 0.07 0.00 -1.41 0.00 0.00 57.07 57.04 3di3 s TYR 149 Cb -0.08 0.22 -0.07 0.00 -1.10 0.00 0.00 41.96 40.93 3di3 s TYR 149 CO 0.00 -0.29 -0.03 -0.98 -2.51 0.00 0.00 175.55 171.75 3di3 s ARG 150 N 0.82 1.78 0.16 -3.49 1.70 -0.92 -2.28 118.95 116.73 3di3 s ARG 150 Ca -0.05 -1.96 0.05 0.00 -0.47 0.00 0.00 55.73 53.30 3di3 s ARG 150 Cb -0.06 -1.44 -0.04 0.00 -0.57 0.00 0.00 34.95 32.85 3di3 s ARG 150 CO -0.06 0.01 0.17 -1.14 -1.08 0.00 0.00 175.30 173.20 3di3 s GLN 151 N -3.71 3.03 0.20 3.89 0.74 -1.26 -1.81 119.66 120.74 3di3 s GLN 151 Ca 0.33 -0.81 -0.11 0.00 0.05 0.00 0.00 55.36 54.82 3di3 s GLN 151 Cb 0.06 -2.72 0.21 0.00 1.10 0.00 0.00 33.01 31.66 3di3 s GLN 151 CO 0.16 0.49 1.79 1.49 -0.55 0.00 0.00 175.29 178.66 3di3 h GLU 152 N 2.31 0.54 -0.04 1.67 4.81 -1.92 -2.48 114.58 119.48 3di3 h GLU 152 Ca -0.48 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 58.75 3di3 h GLU 152 Cb 1.20 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.41 3di3 h GLU 152 CO 0.64 0.36 -0.24 -0.22 -0.73 0.00 0.00 179.01 178.82 3di3 h LYS 153 N 0.56 -0.34 -7.53 1.92 3.64 -1.95 -3.42 116.57 109.44 3di3 h LYS 153 Ca 0.27 0.02 -0.47 0.00 -1.27 0.00 0.00 60.65 59.20 3di3 h LYS 153 Cb 0.21 0.08 0.11 0.00 -0.41 0.00 0.00 32.23 32.21 3di3 h LYS 153 CO -0.20 -0.23 0.37 -0.51 -2.27 0.00 0.00 179.45 176.61 3di3 s ASP 154 N -4.93 4.32 0.12 4.20 1.11 -0.93 -5.05 116.67 115.51 3di3 s ASP 154 Ca -0.15 0.96 0.00 0.00 0.18 0.00 0.00 52.55 53.54 3di3 s ASP 154 Cb 0.10 -1.55 0.00 0.00 1.07 0.00 0.00 42.92 42.53 3di3 s ASP 154 CO 0.66 -2.04 0.00 -0.62 1.18 0.00 0.00 175.17 174.36 3di3 n GLU 155 N -3.43 0.00 -0.56 8.23 -0.58 -1.26 -4.59 120.64 118.46 3di3 n GLU 155 Ca 0.07 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.89 3di3 n GLU 155 Cb 0.59 -0.31 0.30 0.00 -0.57 0.00 0.00 31.44 31.45 3di3 n GLU 155 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3di3 n ASN 156 N -3.31 4.40 -4.28 1.62 5.15 -1.26 -4.87 115.26 112.70 3di3 n ASN 156 Ca 0.00 -2.77 -0.45 0.00 -0.60 0.00 0.00 54.58 50.76 3di3 n ASN 156 Cb 0.00 -0.55 -0.06 0.00 -0.53 0.00 0.00 39.78 38.65 3di3 n ASN 156 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3di3 s LYS 157 N -2.42 2.94 0.23 1.20 3.01 -1.26 -5.06 119.74 118.39 3di3 s LYS 157 Ca 0.45 -1.86 0.07 0.00 -1.01 0.00 0.00 55.97 53.62 3di3 s LYS 157 Cb 0.33 -4.21 -0.04 0.00 -1.01 0.00 0.00 37.83 32.90 3di3 s LYS 157 CO 0.14 -1.29 0.12 -1.58 0.51 0.00 0.00 175.35 173.25 3di3 s TRP 158 N 1.29 2.99 -0.12 3.18 0.52 -1.26 -4.45 118.94 121.08 3di3 s TRP 158 Ca 0.06 -0.13 -0.01 0.00 0.02 0.00 0.00 56.10 56.05 3di3 s TRP 158 Cb -0.26 -1.37 0.03 0.00 -1.15 0.00 0.00 33.47 30.72 3di3 s TRP 158 CO 0.00 0.54 -0.06 0.95 0.02 0.00 0.00 176.95 178.41 3di3 s THR 159 N -2.08 0.95 0.25 2.01 -4.23 -0.97 -4.92 115.64 106.66 3di3 s THR 159 Ca 0.32 -0.31 -0.07 0.00 -1.18 0.00 0.00 61.69 60.44 3di3 s THR 159 Cb -0.08 -1.03 -0.06 0.00 1.34 0.00 0.00 72.50 72.67 3di3 s THR 159 CO 0.23 0.30 0.55 -1.00 -0.54 0.00 0.00 174.62 174.16 3di3 s HIS 160 N 1.73 3.45 -0.15 3.99 0.09 -1.26 -2.60 115.29 120.55 3di3 s HIS 160 Ca 0.04 0.77 -0.02 0.00 -0.00 0.00 0.00 55.06 55.84 3di3 s HIS 160 Cb -0.13 -2.19 0.05 0.00 -0.00 0.00 0.00 32.58 30.31 3di3 s HIS 160 CO -0.08 0.23 0.02 0.08 -0.00 0.00 0.00 174.74 174.99 3di3 s VAL 161 N -1.93 0.46 -0.73 -0.90 1.01 0.99 -4.96 120.40 114.33 3di3 s VAL 161 Ca 0.46 -0.29 -0.23 0.00 0.00 0.00 0.00 61.98 61.92 3di3 s VAL 161 Cb -0.11 -0.83 0.07 0.00 0.00 0.00 0.00 36.38 35.51 3di3 s VAL 161 CO 0.25 -0.03 1.07 0.20 0.00 0.00 0.00 175.10 176.59 3di3 s ASN 162 N 1.91 6.25 0.70 3.32 -0.87 -1.26 -1.46 114.94 123.52 3di3 s ASN 162 Ca 0.01 -1.06 -0.01 0.00 -1.57 0.00 0.00 52.86 50.24 3di3 s ASN 162 Cb -0.15 -2.45 0.12 0.00 -0.02 0.00 0.00 41.25 38.75 3di3 s ASN 162 CO -0.07 -1.47 0.85 -0.11 -2.57 0.00 0.00 177.10 173.73 3di3 n LEU 163 N 7.92 0.00 0.00 0.60 7.94 -0.68 -4.95 117.00 127.82 3di3 n LEU 163 Ca 0.03 -1.74 0.00 0.00 -1.11 0.00 0.00 56.01 53.19 3di3 n LEU 163 Cb 0.47 -0.56 0.00 0.00 0.53 0.00 0.00 43.42 43.86 3di3 n LEU 163 CO 0.64 -0.93 0.02 -1.20 -1.11 0.00 0.00 177.39 174.81 3di3 n SER 164 N -2.96 0.00 -4.07 1.96 7.64 -1.26 -2.81 113.62 112.12 3di3 n SER 164 Ca 0.14 -1.00 -0.26 0.00 1.01 0.00 0.00 58.87 58.76 3di3 n SER 164 Cb 0.49 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.62 3di3 n SER 164 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3di3 s SER 165 N 0.00 2.84 -0.23 6.43 1.04 -1.26 -4.89 113.70 117.63 3di3 s SER 165 Ca 0.00 -1.70 0.09 0.00 0.48 0.00 0.00 55.95 54.81 3di3 s SER 165 Cb 0.00 0.55 0.62 0.00 0.10 0.00 0.00 66.02 67.29 3di3 s SER 165 CO 0.00 -0.96 1.55 0.35 0.98 0.00 0.00 173.24 175.16 3di3 n THR 166 N -0.93 2.33 -3.72 2.02 -2.24 -1.26 -4.85 114.28 105.63 3di3 n THR 166 Ca -0.06 -1.21 -0.14 0.00 -2.27 0.00 0.00 64.05 60.37 3di3 n THR 166 Cb 0.65 -0.40 -0.14 0.00 -2.10 0.00 0.00 70.33 68.34 3di3 n THR 166 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3di3 s LYS 167 N -2.45 0.12 0.16 -0.78 2.20 -1.26 -2.25 119.74 115.48 3di3 s LYS 167 Ca 0.44 0.49 0.04 0.00 -0.36 0.00 0.00 55.97 56.57 3di3 s LYS 167 Cb 0.34 -0.17 -0.05 0.00 -1.51 0.00 0.00 37.83 36.45 3di3 s LYS 167 CO 0.11 -0.20 -0.07 -1.17 -0.36 0.00 0.00 175.35 173.66 3di3 s LEU 168 N 1.51 2.43 -0.00 5.43 2.96 0.23 -4.99 118.68 126.25 3di3 s LEU 168 Ca -0.06 -1.07 0.00 0.00 -0.22 0.00 0.00 54.13 52.78 3di3 s LEU 168 Cb -0.11 -0.29 0.00 0.00 0.50 0.00 0.00 46.19 46.29 3di3 s LEU 168 CO -0.07 -0.40 -0.01 -0.89 -1.32 0.00 0.00 176.35 173.67 3di3 s THR 169 N -3.39 0.07 -0.10 3.68 2.01 -1.26 0.89 115.64 117.54 3di3 s THR 169 Ca 0.19 -0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.17 3di3 s THR 169 Cb 0.04 -0.07 0.02 0.00 0.01 0.00 0.00 72.50 72.50 3di3 s THR 169 CO 0.02 0.02 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.12 3di3 s LEU 170 N 0.03 1.36 0.13 4.42 1.43 0.87 -4.96 118.68 121.96 3di3 s LEU 170 Ca -0.00 -0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 52.49 3di3 s LEU 170 Cb -0.01 -0.84 -0.07 0.00 0.03 0.00 0.00 46.19 45.31 3di3 s LEU 170 CO -0.00 -0.06 1.16 -1.48 0.23 0.00 0.00 176.35 176.19 3di3 s LEU 171 N 1.32 4.43 0.04 1.79 2.34 -1.26 0.18 118.68 127.52 3di3 s LEU 171 Ca -0.02 2.08 -0.07 0.00 0.06 0.00 0.00 54.13 56.18 3di3 s LEU 171 Cb -0.14 -3.59 -0.02 0.00 -0.56 0.00 0.00 46.19 41.88 3di3 s LEU 171 CO -0.04 -0.35 0.74 0.00 -1.06 0.00 0.00 176.35 175.63 3di3 n GLN 172 N 3.06 -0.10 -0.12 1.48 1.13 -0.06 -0.61 117.38 122.16 3di3 n GLN 172 Ca 0.06 0.73 0.00 0.00 -1.94 0.00 0.00 57.00 55.85 3di3 n GLN 172 Cb 0.46 -1.09 0.00 0.00 0.11 0.00 0.00 30.24 29.72 3di3 n GLN 172 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3di3 n ARG 173 N -3.45 0.38 -0.00 -1.09 5.12 -1.26 -2.84 116.66 113.52 3di3 n ARG 173 Ca 0.00 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.93 3di3 n ARG 173 Cb 0.06 -1.31 -0.01 0.00 -1.16 0.00 0.00 32.46 30.04 3di3 n ARG 173 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3di3 n LYS 174 N 1.43 6.28 -3.70 5.56 3.00 0.22 -5.03 118.16 125.91 3di3 n LYS 174 Ca 0.00 -0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 3di3 n LYS 174 Cb 0.19 -0.58 -0.09 0.00 0.00 0.00 0.00 35.03 34.55 3di3 n LYS 174 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 3di3 s LEU 175 N -2.11 0.31 0.15 3.14 0.05 -1.13 -5.07 118.68 114.02 3di3 s LEU 175 Ca 0.00 0.61 -0.06 0.00 0.05 0.00 0.00 54.13 54.73 3di3 s LEU 175 Cb 0.01 1.62 -0.05 0.00 -2.05 0.00 0.00 46.19 45.72 3di3 s LEU 175 CO 0.06 -0.33 -0.01 0.00 -0.55 0.00 0.00 176.35 175.52 3di3 n GLN 176 N 2.00 0.00 -3.86 1.48 1.13 -1.26 -4.97 117.38 111.90 3di3 n GLN 176 Ca -0.17 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.64 3di3 n GLN 176 Cb 0.57 -0.32 -0.03 0.00 0.11 0.00 0.00 30.24 30.56 3di3 n GLN 176 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 3di3 s PRO 177 N -0.32 3.46 0.00 -1.09 0.02 -1.26 -4.09 135.00 131.71 3di3 s PRO 177 Ca 0.19 -0.57 0.00 0.00 0.02 0.00 0.00 61.00 60.64 3di3 s PRO 177 Cb -0.18 -2.90 0.00 0.00 0.02 0.00 0.00 34.50 31.44 3di3 s PRO 177 CO 0.21 0.44 0.00 0.00 -0.33 0.00 0.00 177.00 177.32 3di3 n ALA 178 N -0.91 0.00 -2.09 -1.55 0.00 0.51 -4.91 120.51 111.56 3di3 n ALA 178 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.02 3di3 n ALA 178 Cb 0.55 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 3di3 n ALA 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3di3 s ALA 179 N -0.93 3.37 -0.22 0.00 0.00 -1.24 -4.71 121.76 118.03 3di3 s ALA 179 Ca 0.00 0.15 -0.08 0.00 0.00 0.00 0.00 51.96 52.03 3di3 s ALA 179 Cb 0.00 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 3di3 s ALA 179 CO 0.00 0.32 0.10 1.41 0.00 0.00 0.00 175.76 177.58 3di3 s MET 180 N -2.32 3.94 0.04 0.00 1.75 -1.26 0.13 119.30 121.58 3di3 s MET 180 Ca 0.47 -0.35 0.07 0.00 -1.25 0.00 0.00 55.69 54.63 3di3 s MET 180 Cb -0.15 -3.35 -0.03 0.00 2.84 0.00 0.00 34.83 34.15 3di3 s MET 180 CO 0.20 0.10 -0.17 0.71 -0.65 0.00 0.00 175.02 175.21 3di3 s TYR 181 N 0.87 2.58 -0.18 4.11 1.51 0.15 -2.67 117.35 123.73 3di3 s TYR 181 Ca 0.05 -0.24 -0.05 0.00 -1.01 0.00 0.00 57.07 55.82 3di3 s TYR 181 Cb -0.13 -1.47 -0.03 0.00 -0.11 0.00 0.00 41.96 40.22 3di3 s TYR 181 CO 0.03 0.27 0.01 -2.00 -1.11 0.00 0.00 175.55 172.74 3di3 s GLU 182 N -1.48 3.75 0.03 -0.62 2.12 -0.75 -1.83 118.70 119.92 3di3 s GLU 182 Ca 0.15 -0.46 0.04 0.00 0.36 0.00 0.00 54.97 55.06 3di3 s GLU 182 Cb -0.11 -3.07 -0.02 0.00 0.26 0.00 0.00 34.13 31.20 3di3 s GLU 182 CO 0.06 0.17 -0.13 -1.50 -0.54 0.00 0.00 175.26 173.32 3di3 s ILE 183 N 0.58 1.02 0.16 -3.70 2.07 0.08 -2.16 121.20 119.26 3di3 s ILE 183 Ca -0.00 -0.90 -0.13 0.00 -1.41 0.00 0.00 60.65 58.21 3di3 s ILE 183 Cb -0.14 -0.92 0.01 0.00 0.13 0.00 0.00 42.46 41.54 3di3 s ILE 183 CO 0.02 0.02 0.38 -1.59 -1.91 0.00 0.00 174.94 171.86 3di3 s LYS 184 N -0.99 1.20 0.06 3.50 -2.85 0.02 -1.17 119.74 119.51 3di3 s LYS 184 Ca 0.01 -0.99 0.01 0.00 -1.00 0.00 0.00 55.97 54.01 3di3 s LYS 184 Cb -0.07 0.44 -0.03 0.00 -2.06 0.00 0.00 37.83 36.10 3di3 s LYS 184 CO 0.01 -0.47 -0.06 0.08 0.10 0.00 0.00 175.35 175.01 3di3 s VAL 185 N -3.91 0.52 0.12 1.79 1.01 -1.26 -0.38 120.40 118.30 3di3 s VAL 185 Ca 0.11 -1.46 -0.08 0.00 0.00 0.00 0.00 61.98 60.56 3di3 s VAL 185 Cb 0.02 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 3di3 s VAL 185 CO -0.03 -0.64 0.21 0.00 0.00 0.00 0.00 175.10 174.63 3di3 s ARG 186 N -2.65 0.97 0.20 2.72 1.70 -1.13 -0.51 118.95 120.25 3di3 s ARG 186 Ca -0.01 -1.10 0.05 0.00 -0.47 0.00 0.00 55.73 54.20 3di3 s ARG 186 Cb -0.02 0.34 -0.05 0.00 -0.57 0.00 0.00 34.95 34.65 3di3 s ARG 186 CO -0.03 -0.32 -0.07 -1.12 -1.08 0.00 0.00 175.30 172.68 3di3 s SER 187 N -2.93 1.99 -0.05 -2.89 0.01 -1.26 -0.74 113.70 107.83 3di3 s SER 187 Ca 0.12 -1.10 -0.13 0.00 1.31 0.00 0.00 55.95 56.14 3di3 s SER 187 Cb 0.05 -0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.27 3di3 s SER 187 CO -0.05 -0.38 0.31 -0.51 0.41 0.00 0.00 173.24 173.02 3di3 s ILE 188 N -3.29 0.04 -0.01 1.44 2.07 -0.86 -0.11 121.20 120.48 3di3 s ILE 188 Ca 0.23 -0.32 -0.30 0.00 -1.41 0.00 0.00 60.65 58.85 3di3 s ILE 188 Cb 0.03 -0.55 -0.08 0.00 0.13 0.00 0.00 42.46 41.99 3di3 s ILE 188 CO 0.05 -0.18 1.90 -2.84 -1.91 0.00 0.00 174.94 171.96 3di3 s PRO 189 N -0.82 4.08 -0.59 3.50 0.02 -1.26 -1.36 135.00 138.56 3di3 s PRO 189 Ca -0.09 2.44 0.06 0.00 0.02 0.00 0.00 61.00 63.43 3di3 s PRO 189 Cb -0.04 -4.13 0.30 0.00 0.02 0.00 0.00 34.50 30.65 3di3 s PRO 189 CO 0.03 -1.01 0.86 -3.47 -0.33 0.00 0.00 177.00 173.07 3di3 n ASP 190 N 7.74 4.01 0.00 2.53 2.03 -1.12 -4.62 116.55 127.12 3di3 n ASP 190 Ca 0.20 -3.55 0.00 0.00 0.52 0.00 0.00 54.79 51.95 3di3 n ASP 190 Cb 0.42 -0.61 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 3di3 n ASP 190 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 3di3 n HIS 191 N 0.21 0.00 0.02 -0.67 -0.00 -1.26 -4.66 115.22 108.86 3di3 n HIS 191 Ca 0.30 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 58.27 3di3 n HIS 191 Cb 0.41 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 30.14 3di3 n HIS 191 CO 0.00 0.00 0.00 -0.92 0.46 0.00 0.00 176.34 175.88 3di3 h TYR 192 N 0.00 0.46 -3.95 1.57 5.03 -1.93 -3.45 116.97 114.70 3di3 h TYR 192 Ca 0.00 -0.34 -0.46 0.00 2.58 0.00 0.00 58.73 60.51 3di3 h TYR 192 Cb 0.00 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.24 3di3 h TYR 192 CO 0.00 1.50 0.26 -0.06 -1.32 0.00 0.00 178.16 178.53 3di3 s PHE 193 N -2.46 3.35 0.32 -3.82 0.40 -1.26 -4.95 117.98 109.55 3di3 s PHE 193 Ca -0.18 1.45 0.08 0.00 -0.60 0.00 0.00 56.93 57.67 3di3 s PHE 193 Cb 0.04 -2.73 -0.06 0.00 0.51 0.00 0.00 43.02 40.78 3di3 s PHE 193 CO 0.78 -0.06 -0.06 0.15 0.70 0.00 0.00 175.22 176.72 3di3 s LYS 194 N -3.21 1.70 0.00 0.44 3.01 0.18 -4.34 119.74 117.53 3di3 s LYS 194 Ca 0.59 -1.88 0.00 0.00 -1.01 0.00 0.00 55.97 53.67 3di3 s LYS 194 Cb -0.09 -1.41 0.00 0.00 -1.01 0.00 0.00 37.83 35.31 3di3 s LYS 194 CO 0.16 0.07 0.00 0.41 0.51 0.00 0.00 175.35 176.50 3di3 n GLY 195 N -0.71 -0.63 4.02 -3.33 0.00 -0.82 -1.08 105.19 102.64 3di3 n GLY 195 Ca -0.05 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.83 3di3 n GLY 195 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3di3 s PHE 196 N -3.00 1.63 0.52 1.61 0.08 -0.86 -4.79 117.98 113.17 3di3 s PHE 196 Ca 0.00 -0.69 -0.17 0.00 0.12 0.00 0.00 56.93 56.19 3di3 s PHE 196 Cb 0.00 -2.20 -0.07 0.00 -0.57 0.00 0.00 43.02 40.18 3di3 s PHE 196 CO 0.00 -0.98 1.01 -1.58 -0.10 0.00 0.00 175.22 173.57 3di3 s TRP 197 N -2.63 3.27 0.73 0.36 0.52 -1.26 -4.25 118.94 115.68 3di3 s TRP 197 Ca 0.58 1.50 -0.12 0.00 0.02 0.00 0.00 56.10 58.09 3di3 s TRP 197 Cb -0.06 -2.88 0.03 0.00 -1.15 0.00 0.00 33.47 29.41 3di3 s TRP 197 CO 0.36 -0.58 1.11 -1.54 0.02 0.00 0.00 176.95 176.32 3di3 s SER 198 N -2.80 5.19 1.12 2.95 1.04 0.84 -4.67 113.70 117.37 3di3 s SER 198 Ca 0.61 1.11 -0.15 0.00 0.48 0.00 0.00 55.95 58.01 3di3 s SER 198 Cb -0.12 -1.86 0.25 0.00 0.10 0.00 0.00 66.02 64.39 3di3 s SER 198 CO 0.30 -1.50 1.07 -1.61 0.98 0.00 0.00 173.24 172.47 3di3 s GLU 199 N -5.36 -0.55 0.30 4.02 0.41 -1.26 -4.56 118.70 111.70 3di3 s GLU 199 Ca 0.59 0.44 -0.20 0.00 -0.41 0.00 0.00 54.97 55.39 3di3 s GLU 199 Cb -0.11 -1.63 -0.09 0.00 -1.78 0.00 0.00 34.13 30.51 3di3 s GLU 199 CO 0.52 -3.37 0.80 -1.58 -0.49 0.00 0.00 175.26 171.13 3di3 s TRP 200 N -2.79 3.52 0.52 1.61 0.52 -1.26 -4.51 118.94 116.54 3di3 s TRP 200 Ca 0.67 1.44 -0.19 0.00 0.02 0.00 0.00 56.10 58.04 3di3 s TRP 200 Cb -0.18 -2.68 -0.07 0.00 -1.15 0.00 0.00 33.47 29.39 3di3 s TRP 200 CO 0.59 0.18 1.04 -1.54 0.02 0.00 0.00 176.95 177.24 3di3 s SER 201 N -1.91 6.19 0.78 2.95 1.04 0.33 -4.91 113.70 118.18 3di3 s SER 201 Ca 0.50 1.88 -0.15 0.00 0.48 0.00 0.00 55.95 58.67 3di3 s SER 201 Cb -0.14 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.44 3di3 s SER 201 CO 0.19 -0.88 0.74 -0.81 0.98 0.00 0.00 173.24 173.46 3di3 n PRO 202 N -1.29 0.23 -2.21 4.02 -0.04 -1.26 -4.47 135.00 129.98 3di3 n PRO 202 Ca 0.09 0.13 -0.32 0.00 -0.04 0.00 0.00 63.50 63.36 3di3 n PRO 202 Cb 0.53 -2.04 -0.02 0.00 -0.04 0.00 0.00 33.50 31.92 3di3 n PRO 202 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3di3 s SER 203 N -1.73 6.46 -0.03 3.54 0.01 -1.26 -4.77 113.70 115.93 3di3 s SER 203 Ca 0.67 1.52 0.06 0.00 1.31 0.00 0.00 55.95 59.52 3di3 s SER 203 Cb -0.31 -2.50 -0.01 0.00 0.21 0.00 0.00 66.02 63.41 3di3 s SER 203 CO 0.56 -0.70 -0.21 -0.47 0.41 0.00 0.00 173.24 172.83 3di3 s TYR 204 N -2.81 1.93 -0.10 2.43 5.04 -0.32 -4.95 117.35 118.57 3di3 s TYR 204 Ca 0.58 -0.44 0.04 0.00 -2.44 0.00 0.00 57.07 54.81 3di3 s TYR 204 Cb -0.10 -1.26 0.00 0.00 0.35 0.00 0.00 41.96 40.95 3di3 s TYR 204 CO 0.39 -0.09 -0.24 0.71 -1.34 0.00 0.00 175.55 174.99 3di3 s TYR 205 N -0.33 2.52 0.04 4.97 1.51 -1.26 -0.74 117.35 124.07 3di3 s TYR 205 Ca 0.04 -1.02 -0.03 0.00 -1.01 0.00 0.00 57.07 55.05 3di3 s TYR 205 Cb -0.10 -1.69 -0.03 0.00 -0.11 0.00 0.00 41.96 40.04 3di3 s TYR 205 CO 0.00 -0.41 0.02 -0.59 -1.11 0.00 0.00 175.55 173.47 3di3 s PHE 206 N 0.34 0.35 -0.00 2.71 -0.12 -0.76 -4.99 117.98 115.51 3di3 s PHE 206 Ca -0.18 -0.77 0.02 0.00 -0.05 0.00 0.00 56.93 55.95 3di3 s PHE 206 Cb -0.18 -0.26 -0.03 0.00 -0.63 0.00 0.00 43.02 41.92 3di3 s PHE 206 CO 0.09 -0.35 -0.04 0.50 -0.05 0.00 0.00 175.22 175.37 3di3 s ARG 207 N -3.07 2.66 0.05 1.99 3.52 -1.26 0.33 118.95 123.17 3di3 s ARG 207 Ca -0.01 -0.67 -0.16 0.00 -0.13 0.00 0.00 55.73 54.77 3di3 s ARG 207 Cb 0.02 -2.57 -0.06 0.00 -1.56 0.00 0.00 34.95 30.77 3di3 s ARG 207 CO -0.07 0.62 0.48 0.99 -0.81 0.00 0.00 175.30 176.51 3di3 s THR 208 N -1.02 4.91 -2.00 4.11 2.01 0.35 -4.96 115.64 119.03 3di3 s THR 208 Ca 0.18 0.93 0.06 0.00 0.31 0.00 0.00 61.69 63.17 3di3 s THR 208 Cb -0.11 -3.77 0.16 0.00 0.01 0.00 0.00 72.50 68.78 3di3 s THR 208 CO 0.08 0.49 0.80 -2.65 -0.69 0.00 0.00 174.62 172.66