#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aad n ALA 2 N 0.00 0.23 0.00 3.04 0.00 -1.26 -4.72 120.51 117.80 3aad n ALA 2 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3aad n ALA 2 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.63 3aad n ALA 2 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3aad n LYS 3 N -1.00 3.06 -3.74 0.00 4.76 -1.26 -5.03 118.16 114.96 3aad n LYS 3 Ca 0.01 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.17 3aad n LYS 3 Cb 0.14 -0.68 -0.16 0.00 -1.84 0.00 0.00 35.03 32.50 3aad n LYS 3 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3aad s VAL 4 N -0.92 0.69 0.12 -0.18 1.01 -1.26 -2.44 120.40 117.41 3aad s VAL 4 Ca 0.00 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 60.93 3aad s VAL 4 Cb 0.00 -1.29 -0.07 0.00 0.00 0.00 0.00 36.38 35.02 3aad s VAL 4 CO 0.00 -0.37 0.56 -1.10 0.00 0.00 0.00 175.10 174.19 3aad s GLN 5 N 1.76 4.06 -0.25 2.72 -1.52 -0.45 -4.98 119.66 121.00 3aad s GLN 5 Ca 0.02 0.58 -0.10 0.00 -1.95 0.00 0.00 55.36 53.92 3aad s GLN 5 Cb -0.17 -3.04 -0.05 0.00 -0.22 0.00 0.00 33.01 29.54 3aad s GLN 5 CO -0.15 0.53 0.15 0.08 -0.25 0.00 0.00 175.29 175.65 3aad s VAL 6 N -1.34 5.16 -0.21 1.09 1.01 -1.26 -1.07 120.40 123.78 3aad s VAL 6 Ca 0.35 0.11 0.22 0.00 0.00 0.00 0.00 61.98 62.66 3aad s VAL 6 Cb -0.17 -3.41 -0.21 0.00 0.00 0.00 0.00 36.38 32.59 3aad s VAL 6 CO 0.19 0.33 0.73 0.59 0.00 0.00 0.00 175.10 176.94 3aad n ASN 7 N 4.49 0.37 -3.63 3.32 5.03 -0.62 -4.93 115.26 119.29 3aad n ASN 7 Ca -0.15 0.02 -0.08 0.00 0.87 0.00 0.00 54.58 55.24 3aad n ASN 7 Cb 0.52 1.35 -0.07 0.00 -1.02 0.00 0.00 39.78 40.56 3aad n ASN 7 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 3aad s ASN 8 N -4.61 -0.33 -0.04 6.41 2.47 -1.07 -4.95 114.94 112.83 3aad s ASN 8 Ca -0.04 0.60 0.05 0.00 0.42 0.00 0.00 52.86 53.89 3aad s ASN 8 Cb 0.13 0.59 -0.01 0.00 -1.45 0.00 0.00 41.25 40.51 3aad s ASN 8 CO 0.86 -0.14 -0.19 -0.69 -3.72 0.00 0.00 177.10 173.22 3aad s VAL 9 N -0.02 1.59 -0.04 -5.21 1.01 -1.26 -0.85 120.40 115.62 3aad s VAL 9 Ca 0.04 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.23 3aad s VAL 9 Cb -0.04 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.99 3aad s VAL 9 CO -0.08 0.45 -0.13 -0.69 0.00 0.00 0.00 175.10 174.66 3aad s VAL 10 N -0.14 1.08 -0.08 2.92 1.01 -1.06 -4.95 120.40 119.18 3aad s VAL 10 Ca -0.01 -0.52 -0.22 0.00 0.00 0.00 0.00 61.98 61.24 3aad s VAL 10 Cb -0.11 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 3aad s VAL 10 CO 0.02 0.32 0.63 -0.69 0.00 0.00 0.00 175.10 175.38 3aad s VAL 11 N 0.18 5.09 -0.21 2.92 1.01 -1.26 -0.95 120.40 127.18 3aad s VAL 11 Ca -0.04 1.28 0.12 0.00 0.00 0.00 0.00 61.98 63.34 3aad s VAL 11 Cb -0.10 -3.97 0.44 0.00 0.00 0.00 0.00 36.38 32.75 3aad s VAL 11 CO 0.01 0.28 1.20 0.00 0.00 0.00 0.00 175.10 176.59 3aad n LEU 12 N 3.75 3.08 0.00 3.92 -0.00 -1.08 -4.80 117.00 121.87 3aad n LEU 12 Ca -0.03 -3.87 0.00 0.00 -0.00 0.00 0.00 56.01 52.11 3aad n LEU 12 Cb 0.51 -0.34 0.00 0.00 -0.00 0.00 0.00 43.42 43.59 3aad n LEU 12 CO 0.46 1.48 0.00 -0.90 -0.00 0.00 0.00 177.39 178.43 3aad n ASP 13 N -0.77 0.00 -4.62 1.45 5.68 -1.26 -4.94 116.55 112.09 3aad n ASP 13 Ca 0.24 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 54.29 3aad n ASP 13 Cb 0.83 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.74 3aad n ASP 13 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3aad s ASN 14 N -0.21 4.46 0.53 -1.12 6.03 -1.26 -4.34 114.94 119.03 3aad s ASN 14 Ca 0.00 -0.64 -0.21 0.00 -1.03 0.00 0.00 52.86 50.98 3aad s ASN 14 Cb 0.00 -0.80 -0.05 0.00 -3.03 0.00 0.00 41.25 37.36 3aad s ASN 14 CO 0.00 0.03 1.25 -2.16 -2.03 0.00 0.00 177.10 174.19 3aad s PRO 15 N -3.49 3.28 0.04 3.55 0.04 -1.26 -5.01 135.00 132.16 3aad s PRO 15 Ca 0.30 1.98 -0.03 0.00 0.04 0.00 0.00 61.00 63.28 3aad s PRO 15 Cb -0.07 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 3aad s PRO 15 CO 0.19 -1.00 0.04 -1.54 0.04 0.00 0.00 177.00 174.73 3aad s SER 16 N -1.26 0.27 0.82 6.66 1.04 -0.35 -5.01 113.70 115.87 3aad s SER 16 Ca 0.71 -0.65 -0.13 0.00 0.48 0.00 0.00 55.95 56.36 3aad s SER 16 Cb -0.34 0.20 0.08 0.00 0.10 0.00 0.00 66.02 66.05 3aad s SER 16 CO 0.39 -0.49 1.10 -2.65 0.98 0.00 0.00 173.24 172.57 3aad n PRO 17 N 0.75 0.11 0.21 4.02 -0.02 -1.26 -0.47 135.00 138.34 3aad n PRO 17 Ca -0.19 0.11 0.05 0.00 -2.02 0.00 0.00 63.50 61.45 3aad n PRO 17 Cb 0.59 -2.35 0.46 0.00 -0.02 0.00 0.00 33.50 32.17 3aad n PRO 17 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3aad h PHE 18 N -0.99 0.00 0.00 6.00 3.57 -1.43 -2.96 116.94 121.13 3aad h PHE 18 Ca -0.46 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.04 3aad h PHE 18 Cb 1.30 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.04 3aad h PHE 18 CO 0.45 0.25 -0.04 1.88 -2.23 0.00 0.00 178.31 178.62 3aad h TYR 19 N 0.00 0.00 -3.89 0.41 -1.99 -1.86 -3.44 116.97 106.20 3aad h TYR 19 Ca -0.00 0.00 -0.52 0.00 2.00 0.00 0.00 58.73 60.21 3aad h TYR 19 Cb 0.45 0.00 0.06 0.00 2.00 0.00 0.00 36.73 39.24 3aad h TYR 19 CO 0.00 0.00 0.62 -0.80 -0.00 0.00 0.00 178.16 177.98 3aad s ASN 20 N -5.49 6.75 0.89 3.88 0.02 -1.12 -4.28 114.94 115.59 3aad s ASN 20 Ca 0.08 2.64 -0.10 0.00 -1.02 0.00 0.00 52.86 54.46 3aad s ASN 20 Cb 0.08 -2.65 0.13 0.00 0.02 0.00 0.00 41.25 38.84 3aad s ASN 20 CO 0.65 -0.55 1.13 -2.84 0.02 0.00 0.00 177.10 175.51 3aad s PRO 21 N -1.84 1.20 0.64 -0.60 0.02 -1.26 -4.29 135.00 128.87 3aad s PRO 21 Ca 0.50 1.41 -0.09 0.00 0.02 0.00 0.00 61.00 62.84 3aad s PRO 21 Cb -0.39 -1.76 0.01 0.00 0.02 0.00 0.00 34.50 32.38 3aad s PRO 21 CO 0.51 -2.46 0.99 -0.06 -0.33 0.00 0.00 177.00 175.65 3aad s PHE 22 N -2.71 3.32 -0.19 6.54 0.08 0.28 -4.91 117.98 120.41 3aad s PHE 22 Ca 0.65 0.87 -0.07 0.00 0.12 0.00 0.00 56.93 58.50 3aad s PHE 22 Cb -0.21 -2.86 0.08 0.00 -0.57 0.00 0.00 43.02 39.46 3aad s PHE 22 CO 0.58 -0.95 0.40 -0.65 -0.10 0.00 0.00 175.22 174.50 3aad s GLN 23 N -5.15 0.31 -0.04 0.44 -0.21 -1.25 -2.71 119.66 111.05 3aad s GLN 23 Ca 0.55 0.97 0.04 0.00 0.02 0.00 0.00 55.36 56.94 3aad s GLN 23 Cb -0.11 0.24 -0.00 0.00 1.00 0.00 0.00 33.01 34.14 3aad s GLN 23 CO 0.49 -0.24 -0.16 -0.06 -2.12 0.00 0.00 175.29 173.20 3aad s PHE 24 N 2.41 1.58 -0.95 0.91 0.08 -0.12 -2.62 117.98 119.28 3aad s PHE 24 Ca -0.03 -0.45 -0.08 0.00 0.12 0.00 0.00 56.93 56.50 3aad s PHE 24 Cb -0.11 -1.07 0.24 0.00 -0.57 0.00 0.00 43.02 41.50 3aad s PHE 24 CO -0.12 -0.15 0.88 -2.00 -0.10 0.00 0.00 175.22 173.73 3aad s GLU 25 N 0.07 3.67 0.53 0.44 2.12 -0.13 0.15 118.70 125.55 3aad s GLU 25 Ca -0.04 -3.00 -0.21 0.00 0.36 0.00 0.00 54.97 52.08 3aad s GLU 25 Cb -0.11 -4.29 -0.05 0.00 0.26 0.00 0.00 34.13 29.93 3aad s GLU 25 CO 0.02 -1.25 1.23 0.42 -0.54 0.00 0.00 175.26 175.13 3aad s ILE 26 N -0.85 2.70 -0.40 -3.70 1.09 -1.15 -2.56 121.20 116.32 3aad s ILE 26 Ca 0.26 0.49 0.03 0.00 -1.10 0.00 0.00 60.65 60.33 3aad s ILE 26 Cb -0.10 -3.23 0.16 0.00 -1.06 0.00 0.00 42.46 38.23 3aad s ILE 26 CO -0.09 -0.04 0.33 -0.89 -0.10 0.00 0.00 174.94 174.15 3aad s THR 27 N -1.51 0.22 0.26 2.92 2.01 -0.03 -1.81 115.64 117.69 3aad s THR 27 Ca 0.70 -2.32 0.05 0.00 0.31 0.00 0.00 61.69 60.43 3aad s THR 27 Cb -0.32 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 3aad s THR 27 CO 0.37 -1.12 0.39 0.72 -0.69 0.00 0.00 174.62 174.29 3aad s PHE 28 N 0.36 3.43 0.10 4.92 -0.12 -0.19 -1.59 117.98 124.89 3aad s PHE 28 Ca 0.29 -0.00 0.09 0.00 -0.05 0.00 0.00 56.93 57.25 3aad s PHE 28 Cb -0.03 -1.63 -0.03 0.00 -0.63 0.00 0.00 43.02 40.70 3aad s PHE 28 CO -0.14 0.38 -0.22 -2.00 -0.05 0.00 0.00 175.22 173.18 3aad s GLU 29 N -4.02 1.23 -0.08 1.99 2.12 -0.23 0.10 118.70 119.81 3aad s GLU 29 Ca 0.35 -1.17 -0.01 0.00 0.36 0.00 0.00 54.97 54.50 3aad s GLU 29 Cb -0.09 -1.52 0.03 0.00 0.26 0.00 0.00 34.13 32.81 3aad s GLU 29 CO 0.30 0.36 -0.02 0.00 -0.54 0.00 0.00 175.26 175.36 3aad n ILE 31 N 4.97 0.86 -3.64 0.00 -0.00 -1.02 -2.33 119.36 118.21 3aad n ILE 31 Ca -0.10 -0.56 -0.09 0.00 -0.00 0.00 0.00 62.75 61.99 3aad n ILE 31 Cb 0.50 -0.05 -0.07 0.00 -0.00 0.00 0.00 39.64 40.02 3aad n ILE 31 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 3aad s GLU 32 N -1.67 0.61 0.44 0.38 2.12 -1.26 -5.00 118.70 114.32 3aad s GLU 32 Ca 0.25 0.81 -0.26 0.00 0.36 0.00 0.00 54.97 56.13 3aad s GLU 32 Cb 0.16 0.25 -0.09 0.00 0.26 0.00 0.00 34.13 34.71 3aad s GLU 32 CO 0.12 -0.09 1.45 -0.25 -0.54 0.00 0.00 175.26 175.95 3aad n ASP 33 N 2.87 3.41 -4.21 -1.70 10.43 -1.26 -4.24 116.55 121.85 3aad n ASP 33 Ca -0.15 1.13 -0.34 0.00 2.57 0.00 0.00 54.79 58.01 3aad n ASP 33 Cb 0.56 -1.61 -0.15 0.00 1.84 0.00 0.00 41.12 41.76 3aad n ASP 33 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3aad s LEU 34 N -2.64 2.46 0.19 0.64 1.43 -1.06 -4.93 118.68 114.77 3aad s LEU 34 Ca 0.60 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 53.06 3aad s LEU 34 Cb -0.45 -1.58 0.11 0.00 0.03 0.00 0.00 46.19 44.29 3aad s LEU 34 CO 0.58 0.01 1.83 0.77 0.23 0.00 0.00 176.35 179.77 3aad h SER 35 N 7.87 0.77 -2.13 2.29 4.64 -1.94 -3.38 113.55 121.67 3aad h SER 35 Ca -0.42 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3aad h SER 35 Cb 1.16 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3aad h SER 35 CO 0.61 0.61 0.00 -0.62 -0.87 0.00 0.00 176.83 176.56 3aad n GLU 36 N -4.58 2.58 -4.08 4.77 4.71 -1.26 -4.98 120.64 117.80 3aad n GLU 36 Ca 0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 57.09 3aad n GLU 36 Cb 0.06 0.00 -0.11 0.00 -1.01 0.00 0.00 31.44 30.38 3aad n GLU 36 CO 0.00 0.00 0.00 0.16 0.09 0.00 0.00 177.13 177.38 3aad s ASP 37 N -1.00 0.79 0.14 1.62 3.84 -1.26 -4.21 116.67 116.60 3aad s ASP 37 Ca 0.00 -0.72 -0.30 0.00 -0.00 0.00 0.00 52.55 51.53 3aad s ASP 37 Cb 0.00 0.08 -0.07 0.00 -1.38 0.00 0.00 42.92 41.56 3aad s ASP 37 CO 0.00 -0.34 1.02 -0.76 -0.00 0.00 0.00 175.17 175.09 3aad s LEU 38 N -2.13 4.50 -0.28 2.11 1.43 -1.11 -4.57 118.68 118.63 3aad s LEU 38 Ca -0.03 1.93 -0.06 0.00 -1.03 0.00 0.00 54.13 54.94 3aad s LEU 38 Cb -0.04 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.59 3aad s LEU 38 CO -0.03 -0.12 0.05 -0.70 0.23 0.00 0.00 176.35 175.79 3aad s GLU 39 N -0.20 3.15 0.05 1.70 2.12 -0.36 -2.53 118.70 122.63 3aad s GLU 39 Ca 0.48 -0.81 -0.11 0.00 0.36 0.00 0.00 54.97 54.89 3aad s GLU 39 Cb -0.26 -3.30 -0.06 0.00 0.26 0.00 0.00 34.13 30.78 3aad s GLU 39 CO 0.32 -0.39 0.38 -1.58 -0.54 0.00 0.00 175.26 173.45 3aad s TRP 40 N 1.49 3.62 0.04 5.30 0.52 0.18 -0.82 118.94 129.27 3aad s TRP 40 Ca 0.03 0.81 0.03 0.00 0.02 0.00 0.00 56.10 56.99 3aad s TRP 40 Cb -0.17 -2.17 -0.02 0.00 -1.15 0.00 0.00 33.47 29.96 3aad s TRP 40 CO 0.01 0.56 -0.08 0.15 0.02 0.00 0.00 176.95 177.61 3aad s LYS 41 N -1.67 0.57 -0.28 4.98 1.02 0.64 -1.23 119.74 123.77 3aad s LYS 41 Ca 0.30 -0.68 0.03 0.00 0.02 0.00 0.00 55.97 55.64 3aad s LYS 41 Cb -0.14 -0.41 0.07 0.00 -0.52 0.00 0.00 37.83 36.82 3aad s LYS 41 CO 0.16 0.09 -0.08 0.42 -0.92 0.00 0.00 175.35 175.02 3aad s ILE 42 N -1.11 2.24 -0.27 2.17 1.01 -1.14 -1.34 121.20 122.76 3aad s ILE 42 Ca -0.06 -1.74 -0.06 0.00 0.00 0.00 0.00 60.65 58.79 3aad s ILE 42 Cb -0.08 -2.38 -0.00 0.00 0.01 0.00 0.00 42.46 40.01 3aad s ILE 42 CO 0.01 -0.13 0.06 -0.63 0.00 0.00 0.00 174.94 174.25 3aad s ILE 43 N 1.08 3.95 -0.08 2.92 1.01 0.94 -1.21 121.20 129.82 3aad s ILE 43 Ca -0.06 -0.54 -0.18 0.00 0.00 0.00 0.00 60.65 59.87 3aad s ILE 43 Cb -0.20 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 3aad s ILE 43 CO -0.05 0.20 0.50 -0.47 0.00 0.00 0.00 174.94 175.11 3aad s TYR 44 N 1.52 3.58 -0.81 3.97 6.14 0.76 0.43 117.35 132.94 3aad s TYR 44 Ca 0.04 0.97 -0.17 0.00 0.64 0.00 0.00 57.07 58.56 3aad s TYR 44 Cb -0.16 -2.53 0.16 0.00 0.42 0.00 0.00 41.96 39.84 3aad s TYR 44 CO 0.02 0.27 0.88 0.08 0.64 0.00 0.00 175.55 177.44 3aad s VAL 45 N 0.23 5.11 0.00 3.14 1.01 -0.84 -0.26 120.40 128.78 3aad s VAL 45 Ca 0.27 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.44 3aad s VAL 45 Cb -0.16 -4.59 0.00 0.00 0.00 0.00 0.00 36.38 31.63 3aad s VAL 45 CO 0.12 -1.23 0.64 0.61 0.00 0.00 0.00 175.10 175.24 3aad n GLY 46 N 4.84 -3.31 3.43 4.51 0.00 -1.25 -4.37 105.19 109.04 3aad n GLY 46 Ca 0.12 0.50 -0.34 0.00 0.00 0.00 0.00 46.02 46.29 3aad n GLY 46 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3aad s SER 47 N -2.67 4.67 0.00 1.61 0.15 -1.26 -4.76 113.70 111.43 3aad s SER 47 Ca 0.00 -0.23 0.02 0.00 0.70 0.00 0.00 55.95 56.44 3aad s SER 47 Cb 0.00 -1.78 0.10 0.00 -1.71 0.00 0.00 66.02 62.63 3aad s SER 47 CO 0.00 0.08 0.54 0.00 1.20 0.00 0.00 173.24 175.06 3aad n ALA 48 N 4.12 1.95 0.01 5.45 0.00 -1.26 -3.02 120.51 127.77 3aad n ALA 48 Ca -0.17 -0.01 -0.18 0.00 0.00 0.00 0.00 53.44 53.07 3aad n ALA 48 Cb 0.52 -1.03 -0.11 0.00 0.00 0.00 0.00 19.45 18.83 3aad n ALA 48 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3aad h GLU 49 N 0.00 0.49 -2.40 0.00 4.57 -1.97 -3.48 114.58 111.80 3aad h GLU 49 Ca 0.00 -0.52 -0.02 0.00 -1.18 0.00 0.00 59.36 57.64 3aad h GLU 49 Cb 0.00 0.14 -0.16 0.00 -0.16 0.00 0.00 28.75 28.57 3aad h GLU 49 CO 0.00 1.16 0.25 0.45 -1.18 0.00 0.00 179.01 179.69 3aad s SER 50 N -6.88 -0.58 -0.23 1.04 0.15 -1.17 -5.04 113.70 100.99 3aad s SER 50 Ca -0.12 0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.89 3aad s SER 50 Cb 0.05 0.54 0.29 0.00 -1.71 0.00 0.00 66.02 65.18 3aad s SER 50 CO 0.85 -0.74 1.55 -1.84 1.20 0.00 0.00 173.24 174.26 3aad n GLU 51 N 0.28 1.62 -0.10 5.44 0.28 -1.26 -3.39 120.64 123.51 3aad n GLU 51 Ca -0.17 -1.41 0.06 0.00 -0.16 0.00 0.00 57.16 55.48 3aad n GLU 51 Cb 0.61 -1.55 0.11 0.00 1.43 0.00 0.00 31.44 32.03 3aad n GLU 51 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3aad n GLU 52 N -0.11 1.87 0.00 3.44 2.13 -1.26 -4.50 120.64 122.21 3aad n GLU 52 Ca 0.28 -1.69 0.00 0.00 0.66 0.00 0.00 57.16 56.41 3aad n GLU 52 Cb 0.94 -1.25 0.00 0.00 0.27 0.00 0.00 31.44 31.39 3aad n GLU 52 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3aad n TYR 53 N 0.60 0.00 -2.15 4.31 4.02 -1.22 -5.06 117.16 117.67 3aad n TYR 53 Ca 0.10 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.67 3aad n TYR 53 Cb 0.37 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.68 3aad n TYR 53 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 3aad s ASP 54 N -1.17 6.20 -0.01 7.72 1.47 -1.26 -3.88 116.67 125.74 3aad s ASP 54 Ca 0.00 1.64 0.00 0.00 1.18 0.00 0.00 52.55 55.37 3aad s ASP 54 Cb 0.00 -2.51 0.01 0.00 -0.34 0.00 0.00 42.92 40.08 3aad s ASP 54 CO 0.00 -0.88 0.00 0.00 0.68 0.00 0.00 175.17 174.97 3aad s GLN 55 N -4.28 0.02 0.45 2.11 -2.07 0.64 -4.82 119.66 111.71 3aad s GLN 55 Ca 0.60 0.04 -0.23 0.00 -1.82 0.00 0.00 55.36 53.94 3aad s GLN 55 Cb -0.12 -0.09 -0.07 0.00 -1.09 0.00 0.00 33.01 31.63 3aad s GLN 55 CO 0.38 -0.04 1.18 0.14 -1.32 0.00 0.00 175.29 175.62 3aad s VAL 56 N 0.28 3.06 0.00 3.63 -7.23 -1.26 -0.17 120.40 118.70 3aad s VAL 56 Ca -0.02 0.82 0.00 0.00 -1.81 0.00 0.00 61.98 60.96 3aad s VAL 56 Cb -0.04 -3.42 0.00 0.00 0.56 0.00 0.00 36.38 33.48 3aad s VAL 56 CO -0.01 0.01 0.00 0.18 -0.31 0.00 0.00 175.10 174.97 3aad n LEU 57 N -0.41 1.15 -3.94 1.32 4.77 -0.35 -4.90 117.00 114.66 3aad n LEU 57 Ca 0.07 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.94 3aad n LEU 57 Cb 0.48 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.56 3aad n LEU 57 CO 0.48 0.19 0.35 -0.62 -1.33 0.00 0.00 177.39 176.47 3aad s ASP 58 N -3.22 0.36 -0.28 -1.43 2.15 -1.26 -4.39 116.67 108.61 3aad s ASP 58 Ca 0.00 -1.25 -0.10 0.00 0.43 0.00 0.00 52.55 51.63 3aad s ASP 58 Cb 0.00 0.76 0.12 0.00 -0.30 0.00 0.00 42.92 43.49 3aad s ASP 58 CO 0.00 -1.49 0.62 -0.55 -0.17 0.00 0.00 175.17 173.58 3aad s SER 59 N -3.13 -0.99 -0.04 -0.34 0.15 -1.26 -2.87 113.70 105.22 3aad s SER 59 Ca 0.22 1.48 0.04 0.00 0.70 0.00 0.00 55.95 58.39 3aad s SER 59 Cb -0.03 2.05 -0.00 0.00 -1.71 0.00 0.00 66.02 66.33 3aad s SER 59 CO 0.15 -0.22 -0.17 -0.69 1.20 0.00 0.00 173.24 173.51 3aad s VAL 60 N 2.70 1.39 -0.77 4.45 1.01 -0.37 -4.98 120.40 123.82 3aad s VAL 60 Ca -0.06 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3aad s VAL 60 Cb -0.11 -1.19 0.36 0.00 0.00 0.00 0.00 36.38 35.43 3aad s VAL 60 CO -0.18 0.40 1.74 0.18 0.00 0.00 0.00 175.10 177.24 3aad n LEU 61 N 3.13 6.74 -4.30 3.92 4.32 -1.26 -0.65 117.00 128.90 3aad n LEU 61 Ca -0.18 -5.05 -0.56 0.00 -0.02 0.00 0.00 56.01 50.20 3aad n LEU 61 Cb 0.53 -0.92 -0.12 0.00 -1.62 0.00 0.00 43.42 41.28 3aad n LEU 61 CO 0.25 1.94 1.82 0.52 -1.22 0.00 0.00 177.39 180.69 3aad n VAL 62 N -0.44 0.01 -1.90 4.08 0.31 -1.05 -4.70 118.33 114.63 3aad n VAL 62 Ca 0.49 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.80 3aad n VAL 62 Cb 0.34 -0.57 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 3aad n VAL 62 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3aad n GLY 63 N 7.28 -1.53 3.73 2.92 0.00 -1.26 -2.75 105.19 113.58 3aad n GLY 63 Ca 0.56 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 3aad n GLY 63 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3aad s PRO 64 N -1.33 4.29 -0.33 1.61 0.02 -1.26 -5.08 135.00 132.93 3aad s PRO 64 Ca 0.00 2.22 -0.08 0.00 0.02 0.00 0.00 61.00 63.16 3aad s PRO 64 Cb 0.00 -3.16 0.02 0.00 0.02 0.00 0.00 34.50 31.38 3aad s PRO 64 CO 0.00 -0.42 0.13 0.54 -0.33 0.00 0.00 177.00 176.92 3aad s VAL 65 N 0.40 4.10 0.00 3.83 0.11 -1.26 -5.04 120.40 122.54 3aad s VAL 65 Ca 0.61 -0.86 0.00 0.00 -2.93 0.00 0.00 61.98 58.80 3aad s VAL 65 Cb -0.40 -3.23 0.00 0.00 -1.53 0.00 0.00 36.38 31.22 3aad s VAL 65 CO 0.38 -0.09 0.00 -0.81 -3.33 0.00 0.00 175.10 171.25 3aad n PRO 66 N 4.89 0.21 -2.33 1.54 -0.04 -1.26 -2.55 135.00 135.46 3aad n PRO 66 Ca -0.13 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.08 3aad n PRO 66 Cb 0.46 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.00 3aad n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3aad s ALA 67 N -3.33 3.32 0.00 0.55 0.00 -1.26 -4.66 121.76 116.37 3aad s ALA 67 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.79 3aad s ALA 67 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.71 3aad s ALA 67 CO 0.00 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 174.84 3aad n GLY 68 N -2.87 0.98 3.78 0.00 0.00 -0.98 -4.96 105.19 101.14 3aad n GLY 68 Ca 0.10 -2.17 -0.36 0.00 0.00 0.00 0.00 46.02 43.59 3aad n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3aad s ARG 69 N -1.29 3.82 -0.30 1.61 3.52 -1.26 -2.46 118.95 122.60 3aad s ARG 69 Ca 0.00 1.56 -0.01 0.00 -0.13 0.00 0.00 55.73 57.15 3aad s ARG 69 Cb 0.00 -2.30 0.12 0.00 -1.56 0.00 0.00 34.95 31.21 3aad s ARG 69 CO 0.00 -0.45 0.23 -1.01 -0.81 0.00 0.00 175.30 173.27 3aad s HIS 70 N -1.73 -0.07 -0.22 5.12 3.76 0.29 -4.97 115.29 117.47 3aad s HIS 70 Ca 0.64 -0.60 -0.13 0.00 -0.15 0.00 0.00 55.06 54.82 3aad s HIS 70 Cb -0.23 -0.65 -0.04 0.00 1.11 0.00 0.00 32.58 32.77 3aad s HIS 70 CO 0.27 -0.89 0.29 1.41 -0.85 0.00 0.00 174.74 174.98 3aad s MET 71 N 2.09 4.13 0.21 1.40 0.00 -1.26 -1.02 119.30 124.84 3aad s MET 71 Ca 0.10 -0.01 0.02 0.00 0.00 0.00 0.00 55.69 55.81 3aad s MET 71 Cb -0.15 -3.54 -0.01 0.00 0.00 0.00 0.00 34.83 31.13 3aad s MET 71 CO -0.29 0.00 0.08 1.97 0.00 0.00 0.00 175.02 176.77 3aad n PHE 72 N 4.40 0.07 -3.79 4.11 -1.74 -0.75 -5.00 117.46 114.76 3aad n PHE 72 Ca -0.11 -1.34 -0.24 0.00 -0.56 0.00 0.00 57.45 55.20 3aad n PHE 72 Cb 0.51 -0.00 -0.17 0.00 1.52 0.00 0.00 39.48 41.34 3aad n PHE 72 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 3aad s VAL 73 N -2.33 0.49 -0.24 1.97 1.01 -1.26 -2.95 120.40 117.10 3aad s VAL 73 Ca 0.11 0.01 -0.07 0.00 0.00 0.00 0.00 61.98 62.03 3aad s VAL 73 Cb 0.01 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 3aad s VAL 73 CO 0.08 0.25 0.07 0.12 0.00 0.00 0.00 175.10 175.62 3aad s PHE 74 N 1.92 3.11 0.10 5.22 5.99 0.12 -4.91 117.98 129.53 3aad s PHE 74 Ca 0.05 -0.32 0.04 0.00 0.00 0.00 0.00 56.93 56.70 3aad s PHE 74 Cb -0.13 -2.21 -0.04 0.00 0.00 0.00 0.00 43.02 40.64 3aad s PHE 74 CO -0.06 -0.27 0.05 -0.65 -0.00 0.00 0.00 175.22 174.29 3aad s GLN 75 N 1.40 2.72 -0.17 10.12 -0.21 -1.26 -0.94 119.66 131.32 3aad s GLN 75 Ca 0.05 -0.79 -0.08 0.00 0.02 0.00 0.00 55.36 54.57 3aad s GLN 75 Cb -0.15 -2.63 0.07 0.00 1.00 0.00 0.00 33.01 31.31 3aad s GLN 75 CO 0.04 0.54 0.39 0.00 -2.12 0.00 0.00 175.29 174.14 3aad s ALA 76 N -1.41 -1.02 0.40 6.09 0.00 -1.10 -4.85 121.76 119.87 3aad s ALA 76 Ca 0.28 1.44 -0.27 0.00 0.00 0.00 0.00 51.96 53.41 3aad s ALA 76 Cb -0.12 -1.08 -0.10 0.00 0.00 0.00 0.00 23.12 21.83 3aad s ALA 76 CO 0.20 -0.49 1.43 -0.51 0.00 0.00 0.00 175.76 176.40 3aad s ASP 77 N 1.96 6.22 0.87 0.00 -0.00 -1.26 -0.55 116.67 123.91 3aad s ASP 77 Ca -0.05 2.93 -0.11 0.00 -0.00 0.00 0.00 52.55 55.31 3aad s ASP 77 Cb -0.10 -2.66 0.12 0.00 -0.00 0.00 0.00 42.92 40.28 3aad s ASP 77 CO -0.12 -0.94 1.17 0.00 -0.00 0.00 0.00 175.17 175.28 3aad s ALA 78 N -1.17 1.62 0.59 5.23 0.00 -1.26 -4.80 121.76 121.97 3aad s ALA 78 Ca 0.56 0.69 -0.18 0.00 0.00 0.00 0.00 51.96 53.02 3aad s ALA 78 Cb -0.44 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.18 3aad s ALA 78 CO 0.58 -2.58 1.16 -1.25 0.00 0.00 0.00 175.76 173.68 3aad s PRO 79 N -4.45 3.07 -0.32 0.00 0.04 -1.26 -4.96 135.00 127.12 3aad s PRO 79 Ca 0.69 1.68 -0.29 0.00 0.04 0.00 0.00 61.00 63.12 3aad s PRO 79 Cb -0.25 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.32 3aad s PRO 79 CO 0.55 -1.09 1.56 -0.80 0.04 0.00 0.00 177.00 177.26 3aad s ASN 80 N -1.81 6.27 0.58 6.66 -0.87 -1.26 -4.87 114.94 119.63 3aad s ASN 80 Ca 0.74 1.23 0.39 0.00 -1.57 0.00 0.00 52.86 53.65 3aad s ASN 80 Cb -0.26 -2.53 2.12 0.00 -0.02 0.00 0.00 41.25 40.56 3aad s ASN 80 CO 0.32 -1.42 2.20 1.55 -2.57 0.00 0.00 177.10 177.19 3aad h PRO 81 N 11.13 0.00 -0.26 -0.60 0.13 -1.98 -1.57 132.00 138.86 3aad h PRO 81 Ca -0.31 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.80 3aad h PRO 81 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 3aad h PRO 81 CO 1.04 0.00 0.04 0.78 -0.23 0.00 0.00 178.00 179.63 3aad h GLY 82 N 0.05 0.40 -5.70 1.56 0.00 -2.03 -3.26 103.07 94.10 3aad h GLY 82 Ca 0.00 -0.19 -0.65 0.00 0.00 0.00 0.00 47.33 46.49 3aad h GLY 82 CO 0.00 0.19 -0.21 1.47 0.00 0.00 0.00 176.54 177.98 3aad n LEU 83 N -4.37 5.09 -3.61 3.11 -0.00 -0.59 -4.92 117.00 111.70 3aad n LEU 83 Ca 0.01 -5.57 -0.26 0.00 -0.00 0.00 0.00 56.01 50.19 3aad n LEU 83 Cb 0.17 -0.74 -0.17 0.00 -0.00 0.00 0.00 43.42 42.69 3aad n LEU 83 CO 0.37 2.22 -0.33 -0.63 -0.00 0.00 0.00 177.39 179.02 3aad s ILE 84 N -4.09 -0.08 0.09 1.47 1.01 -1.23 -4.87 121.20 113.50 3aad s ILE 84 Ca 0.45 -0.17 -0.36 0.00 0.00 0.00 0.00 60.65 60.57 3aad s ILE 84 Cb 0.23 -0.58 -0.18 0.00 0.01 0.00 0.00 42.46 41.95 3aad s ILE 84 CO -0.11 -0.28 1.08 -2.65 0.00 0.00 0.00 174.94 172.99 3aad n PRO 85 N 5.28 0.57 -0.44 2.79 -0.02 -1.26 -4.80 135.00 137.12 3aad n PRO 85 Ca -0.07 0.21 0.37 0.00 -2.02 0.00 0.00 63.50 61.98 3aad n PRO 85 Cb 0.49 -1.67 0.65 0.00 -0.02 0.00 0.00 33.50 32.95 3aad n PRO 85 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3aad h ASP 86 N 3.17 0.25 0.02 2.55 3.32 -1.98 -2.47 116.42 121.28 3aad h ASP 86 Ca -0.45 0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.74 3aad h ASP 86 Cb 1.39 0.13 0.00 0.00 0.22 0.00 0.00 39.33 41.07 3aad h ASP 86 CO 0.68 -0.19 -0.01 0.00 -1.72 0.00 0.00 179.24 178.00 3aad h ALA 87 N 1.61 -0.24 0.00 3.45 0.00 -1.96 -3.36 119.26 118.75 3aad h ALA 87 Ca 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.72 3aad h ALA 87 Cb 2.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.36 3aad h ALA 87 CO -0.43 -0.24 0.00 -3.47 0.00 0.00 0.00 179.25 175.12 3aad n ASP 88 N -2.31 0.38 0.00 0.00 -0.08 -0.94 -3.94 116.55 109.66 3aad n ASP 88 Ca -0.00 -0.31 0.00 0.00 -1.51 0.00 0.00 54.79 52.97 3aad n ASP 88 Cb 0.01 -0.08 0.00 0.00 2.34 0.00 0.00 41.12 43.40 3aad n ASP 88 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3aad n ALA 89 N 0.79 0.00 -1.76 -1.67 0.00 -1.17 -4.68 120.51 112.02 3aad n ALA 89 Ca 0.00 -0.11 -0.39 0.00 0.00 0.00 0.00 53.44 52.94 3aad n ALA 89 Cb 0.07 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.53 3aad n ALA 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3aad s VAL 90 N -0.59 2.45 0.00 0.00 -7.23 -1.25 -4.76 120.40 109.02 3aad s VAL 90 Ca 0.00 0.38 0.00 0.00 -1.81 0.00 0.00 61.98 60.55 3aad s VAL 90 Cb 0.00 -3.21 0.00 0.00 0.56 0.00 0.00 36.38 33.73 3aad s VAL 90 CO 0.00 0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.43 3aad n GLY 91 N 0.63 0.43 2.97 2.32 0.00 0.17 -4.99 105.19 106.71 3aad n GLY 91 Ca 0.06 -1.52 -0.22 0.00 0.00 0.00 0.00 46.02 44.35 3aad n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3aad s VAL 92 N 0.00 0.82 0.00 1.61 0.11 -1.26 0.73 120.40 122.41 3aad s VAL 92 Ca 0.00 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 58.74 3aad s VAL 92 Cb 0.00 -0.78 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 3aad s VAL 92 CO 0.00 0.28 0.00 0.35 -3.33 0.00 0.00 175.10 172.40 3aad n THR 93 N 3.80 0.00 -4.40 5.04 -2.24 -0.16 -4.96 114.28 111.36 3aad n THR 93 Ca -0.23 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.26 3aad n THR 93 Cb 0.52 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.62 3aad n THR 93 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3aad s VAL 94 N -1.26 2.33 -0.08 2.28 1.01 -1.26 0.11 120.40 123.53 3aad s VAL 94 Ca 0.00 -1.84 0.02 0.00 0.00 0.00 0.00 61.98 60.16 3aad s VAL 94 Cb 0.00 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.33 3aad s VAL 94 CO 0.00 0.02 -0.12 -0.69 0.00 0.00 0.00 175.10 174.31 3aad s VAL 95 N -1.28 1.20 -0.15 2.92 1.01 0.34 -1.99 120.40 122.46 3aad s VAL 95 Ca 0.17 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 3aad s VAL 95 Cb -0.09 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 3aad s VAL 95 CO 0.08 0.38 0.03 -0.76 0.00 0.00 0.00 175.10 174.82 3aad s LEU 96 N 0.85 3.68 -0.12 3.92 1.43 0.17 -0.17 118.68 128.44 3aad s LEU 96 Ca -0.11 0.08 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 3aad s LEU 96 Cb -0.15 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 3aad s LEU 96 CO 0.01 0.24 0.03 -0.63 0.23 0.00 0.00 176.35 176.23 3aad s ILE 97 N -0.01 4.53 -0.13 -0.59 1.01 0.35 -0.04 121.20 126.32 3aad s ILE 97 Ca 0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.50 3aad s ILE 97 Cb -0.12 -2.95 0.06 0.00 0.01 0.00 0.00 42.46 39.46 3aad s ILE 97 CO 0.01 0.57 0.20 -0.89 0.00 0.00 0.00 174.94 174.83 3aad s THR 98 N -0.53 -0.32 -0.24 2.92 2.01 -0.45 -0.41 115.64 118.62 3aad s THR 98 Ca 0.10 0.19 -0.12 0.00 0.31 0.00 0.00 61.69 62.17 3aad s THR 98 Cb -0.12 -0.45 -0.05 0.00 0.01 0.00 0.00 72.50 71.90 3aad s THR 98 CO 0.02 0.03 0.21 0.00 -0.69 0.00 0.00 174.62 174.20 3aad s THR 100 N 1.30 3.34 0.04 0.00 2.01 0.00 -0.80 115.64 121.52 3aad s THR 100 Ca 0.10 -0.56 0.06 0.00 0.31 0.00 0.00 61.69 61.60 3aad s THR 100 Cb -0.14 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 3aad s THR 100 CO 0.07 0.51 -0.17 -0.47 -0.69 0.00 0.00 174.62 173.86 3aad s TYR 101 N 0.36 1.53 -1.03 4.92 5.04 0.34 -1.22 117.35 127.29 3aad s TYR 101 Ca -0.09 -0.36 -0.06 0.00 -2.44 0.00 0.00 57.07 54.13 3aad s TYR 101 Cb -0.15 -0.91 0.05 0.00 0.35 0.00 0.00 41.96 41.29 3aad s TYR 101 CO 0.05 0.06 0.26 0.54 -1.34 0.00 0.00 175.55 175.12 3aad n ARG 102 N 1.92 -2.84 -0.99 4.97 1.74 -1.26 0.12 116.66 120.31 3aad n ARG 102 Ca -0.17 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 3aad n ARG 102 Cb 0.54 -5.05 0.00 0.00 -1.02 0.00 0.00 32.46 26.93 3aad n ARG 102 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3aad n GLY 103 N -0.94 0.31 3.45 -0.13 0.00 -1.26 -5.00 105.19 101.61 3aad n GLY 103 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 3aad n GLY 103 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3aad s GLN 104 N -0.79 3.65 -0.18 1.61 -0.21 0.32 -5.07 119.66 118.99 3aad s GLN 104 Ca 0.00 -0.48 -0.29 0.00 0.02 0.00 0.00 55.36 54.61 3aad s GLN 104 Cb 0.00 -3.32 -0.03 0.00 1.00 0.00 0.00 33.01 30.66 3aad s GLN 104 CO 0.00 -0.18 1.58 -2.00 -2.12 0.00 0.00 175.29 172.57 3aad s GLU 105 N 1.59 3.93 0.00 2.91 2.12 -1.26 0.13 118.70 128.12 3aad s GLU 105 Ca 0.06 1.78 0.07 0.00 0.36 0.00 0.00 54.97 57.24 3aad s GLU 105 Cb -0.15 -3.99 0.06 0.00 0.26 0.00 0.00 34.13 30.31 3aad s GLU 105 CO 0.03 -1.13 0.74 1.97 -0.54 0.00 0.00 175.26 176.34 3aad n PHE 106 N 7.94 0.02 -3.62 5.30 1.16 0.02 -4.70 117.46 123.57 3aad n PHE 106 Ca 0.18 -0.03 -0.04 0.00 -1.87 0.00 0.00 57.45 55.70 3aad n PHE 106 Cb 0.45 -0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.25 3aad n PHE 106 CO 0.00 0.00 0.00 -1.50 -1.87 0.00 0.00 176.76 173.39 3aad s ILE 107 N -0.60 -0.15 -0.45 1.97 2.07 -1.20 -3.15 121.20 119.68 3aad s ILE 107 Ca 0.08 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.33 3aad s ILE 107 Cb 0.06 -1.00 0.12 0.00 0.13 0.00 0.00 42.46 41.77 3aad s ILE 107 CO 0.09 0.00 0.21 -0.13 -1.91 0.00 0.00 174.94 173.20 3aad s ARG 108 N 1.72 1.94 -0.35 3.50 0.52 -1.09 -2.71 118.95 122.49 3aad s ARG 108 Ca -0.09 -2.15 -0.22 0.00 -0.52 0.00 0.00 55.73 52.76 3aad s ARG 108 Cb -0.05 -3.44 0.01 0.00 0.52 0.00 0.00 34.95 31.98 3aad s ARG 108 CO -0.18 -1.06 0.74 0.08 0.02 0.00 0.00 175.30 174.90 3aad s VAL 109 N 0.53 4.79 -0.21 3.52 1.01 0.45 -1.85 120.40 128.64 3aad s VAL 109 Ca 0.13 0.83 0.01 0.00 0.00 0.00 0.00 61.98 62.95 3aad s VAL 109 Cb -0.22 -4.16 0.05 0.00 0.00 0.00 0.00 36.38 32.05 3aad s VAL 109 CO -0.04 -0.37 -0.10 -0.83 0.00 0.00 0.00 175.10 173.76 3aad s GLY 110 N 1.79 1.31 0.15 4.51 0.00 -1.03 0.13 107.32 114.19 3aad s GLY 110 Ca 0.29 -1.29 -0.03 0.00 0.00 0.00 0.00 44.72 43.69 3aad s GLY 110 CO 0.16 0.72 0.36 -0.19 0.00 0.00 0.00 173.10 174.15 3aad s TYR 111 N 1.36 3.48 0.06 1.90 1.51 0.76 -1.98 117.35 124.45 3aad s TYR 111 Ca -0.03 0.46 -0.20 0.00 -1.01 0.00 0.00 57.07 56.29 3aad s TYR 111 Cb -0.17 -1.93 -0.06 0.00 -0.11 0.00 0.00 41.96 39.68 3aad s TYR 111 CO -0.08 0.43 0.60 0.71 -1.11 0.00 0.00 175.55 176.10 3aad s TYR 112 N -1.71 3.78 -0.02 2.71 1.51 -1.26 -0.51 117.35 121.85 3aad s TYR 112 Ca 0.40 1.29 0.05 0.00 -1.01 0.00 0.00 57.07 57.80 3aad s TYR 112 Cb -0.12 -2.56 -0.01 0.00 -0.11 0.00 0.00 41.96 39.16 3aad s TYR 112 CO 0.26 0.51 -0.17 0.14 -1.11 0.00 0.00 175.55 175.18 3aad s VAL 113 N -0.82 1.37 -0.30 0.71 -7.23 0.30 -1.41 120.40 113.02 3aad s VAL 113 Ca 0.30 -0.74 0.03 0.00 -1.81 0.00 0.00 61.98 59.77 3aad s VAL 113 Cb -0.19 -1.15 0.08 0.00 0.56 0.00 0.00 36.38 35.68 3aad s VAL 113 CO 0.19 0.39 -0.04 0.21 -0.31 0.00 0.00 175.10 175.55 3aad s ASN 114 N -0.35 4.60 -0.29 4.85 2.47 0.10 -0.99 114.94 125.33 3aad s ASN 114 Ca 0.05 -1.75 -0.18 0.00 0.42 0.00 0.00 52.86 51.40 3aad s ASN 114 Cb -0.07 -1.59 -0.02 0.00 -1.45 0.00 0.00 41.25 38.12 3aad s ASN 114 CO -0.00 -0.28 0.52 0.20 -3.72 0.00 0.00 177.10 173.82 3aad s ASN 115 N 1.01 6.40 -0.07 -4.21 0.01 0.22 -0.03 114.94 118.28 3aad s ASN 115 Ca 0.00 0.36 -0.14 0.00 -0.71 0.00 0.00 52.86 52.38 3aad s ASN 115 Cb -0.20 -2.28 0.03 0.00 0.41 0.00 0.00 41.25 39.21 3aad s ASN 115 CO -0.06 -0.35 0.33 -1.83 -1.51 0.00 0.00 177.10 173.67 3aad s GLU 116 N 2.35 0.54 0.65 -0.60 -1.05 -0.06 0.41 118.70 120.95 3aad s GLU 116 Ca 0.21 0.13 -0.14 0.00 -0.15 0.00 0.00 54.97 55.02 3aad s GLU 116 Cb -0.15 0.25 -0.01 0.00 -0.44 0.00 0.00 34.13 33.77 3aad s GLU 116 CO 0.11 -0.12 1.06 0.71 0.95 0.00 0.00 175.26 177.97 3aad s TYR 117 N -0.61 2.99 -0.14 4.83 1.51 -1.26 -0.26 117.35 124.41 3aad s TYR 117 Ca -0.07 1.48 -0.12 0.00 -1.01 0.00 0.00 57.07 57.36 3aad s TYR 117 Cb -0.04 -2.97 -0.06 0.00 -0.11 0.00 0.00 41.96 38.78 3aad s TYR 117 CO 0.02 -1.23 -0.25 0.25 -1.11 0.00 0.00 175.55 173.23 3aad n THR 118 N -2.55 1.28 -2.18 -0.71 -2.24 -1.26 -4.82 114.28 101.81 3aad n THR 118 Ca 0.08 0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.44 3aad n THR 118 Cb 0.53 -1.98 -0.02 0.00 -2.10 0.00 0.00 70.33 66.76 3aad n THR 118 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3aad s GLU 119 N -2.52 4.14 0.00 -0.78 -6.30 -1.26 -4.81 118.70 107.16 3aad s GLU 119 Ca -0.24 1.91 -0.13 0.00 -2.50 0.00 0.00 54.97 54.01 3aad s GLU 119 Cb 0.06 -3.91 -0.16 0.00 0.00 0.00 0.00 34.13 30.12 3aad s GLU 119 CO 0.32 -0.87 1.19 0.25 0.02 0.00 0.00 175.26 176.17 3aad n THR 120 N 5.59 0.00 0.00 -1.70 -2.24 -1.26 -3.89 114.28 110.78 3aad n THR 120 Ca 0.16 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 3aad n THR 120 Cb 0.44 -1.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.09 3aad n THR 120 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3aad n GLU 121 N 6.10 0.00 0.33 -0.78 -0.58 -1.26 -4.46 120.64 119.99 3aad n GLU 121 Ca 0.20 0.00 0.17 0.00 -0.42 0.00 0.00 57.16 57.11 3aad n GLU 121 Cb 0.19 0.00 0.90 0.00 -0.57 0.00 0.00 31.44 31.96 3aad n GLU 121 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3aad h LEU 122 N 0.00 0.00 0.91 -4.62 3.38 -1.84 1.08 115.31 114.22 3aad h LEU 122 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3aad h LEU 122 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 3aad h LEU 122 CO 0.00 0.00 -0.45 -0.09 0.09 0.00 0.00 178.44 177.99 3aad h ARG 123 N 0.00 -1.20 -0.48 1.13 2.43 -1.87 -2.95 114.38 111.44 3aad h ARG 123 Ca 0.00 0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 3aad h ARG 123 Cb 0.54 0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 3aad h ARG 123 CO -0.00 -0.80 0.16 0.93 -1.51 0.00 0.00 179.97 178.75 3aad h GLU 124 N -1.24 0.75 -3.05 0.20 4.39 0.96 -3.26 114.58 113.32 3aad h GLU 124 Ca -0.12 -0.16 -0.63 0.00 0.34 0.00 0.00 59.36 58.79 3aad h GLU 124 Cb 0.96 -0.11 -0.41 0.00 -0.10 0.00 0.00 28.75 29.09 3aad h GLU 124 CO 0.19 0.70 -0.50 0.09 -1.16 0.00 0.00 179.01 178.33 3aad n ASN 125 N -4.52 3.26 -4.65 1.42 4.13 -0.58 -5.06 115.26 109.26 3aad n ASN 125 Ca 0.01 -3.22 -0.46 0.00 1.68 0.00 0.00 54.58 52.59 3aad n ASN 125 Cb 0.19 -0.79 -0.04 0.00 -1.54 0.00 0.00 39.78 37.59 3aad n ASN 125 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 3aad n PRO 126 N 1.92 2.30 -1.73 3.52 -0.02 -1.11 -4.69 135.00 135.18 3aad n PRO 126 Ca 0.21 0.81 -0.38 0.00 -2.02 0.00 0.00 63.50 62.13 3aad n PRO 126 Cb 0.36 -2.83 0.06 0.00 -0.02 0.00 0.00 33.50 31.07 3aad n PRO 126 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3aad n PRO 127 N 7.32 1.32 -0.11 0.52 -0.04 -1.26 -4.93 135.00 137.81 3aad n PRO 127 Ca 0.24 0.50 -0.10 0.00 -0.04 0.00 0.00 63.50 64.10 3aad n PRO 127 Cb 0.35 -2.54 -0.08 0.00 -0.04 0.00 0.00 33.50 31.19 3aad n PRO 127 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3aad h VAL 128 N 0.85 0.00 -3.38 0.52 2.07 -2.00 -3.35 116.25 110.95 3aad h VAL 128 Ca -0.51 0.00 -0.55 0.00 0.82 0.00 0.00 66.70 66.46 3aad h VAL 128 Cb 1.33 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 3aad h VAL 128 CO 0.54 0.00 0.17 -0.54 0.02 0.00 0.00 177.57 177.77 3aad s LYS 129 N -5.00 4.48 0.21 1.57 -0.14 -1.26 -5.04 119.74 114.56 3aad s LYS 129 Ca -0.11 1.05 -0.31 0.00 -1.36 0.00 0.00 55.97 55.24 3aad s LYS 129 Cb 0.06 -3.44 -0.10 0.00 -1.68 0.00 0.00 37.83 32.67 3aad s LYS 129 CO 0.46 0.06 1.50 -2.14 -0.76 0.00 0.00 175.35 174.48 3aad s PRO 130 N 0.75 4.24 -0.28 -1.68 0.02 -1.26 -5.01 135.00 131.78 3aad s PRO 130 Ca 0.42 2.34 -0.06 0.00 0.02 0.00 0.00 61.00 63.71 3aad s PRO 130 Cb -0.19 -3.13 0.01 0.00 0.02 0.00 0.00 34.50 31.21 3aad s PRO 130 CO 0.21 -0.51 0.06 0.34 -0.33 0.00 0.00 177.00 176.77 3aad s ASP 131 N 0.73 4.99 0.03 2.53 -1.08 -1.26 -5.00 116.67 117.61 3aad s ASP 131 Ca 0.64 -0.65 0.14 0.00 -0.52 0.00 0.00 52.55 52.16 3aad s ASP 131 Cb -0.43 -1.85 -0.17 0.00 -1.46 0.00 0.00 42.92 39.01 3aad s ASP 131 CO 0.38 -0.16 0.83 -0.26 0.52 0.00 0.00 175.17 176.48 3aad h PHE 132 N 8.20 0.00 -0.11 -5.34 0.04 -1.95 -3.34 116.94 114.44 3aad h PHE 132 Ca -0.33 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.46 3aad h PHE 132 Cb 1.13 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.28 3aad h PHE 132 CO 0.61 0.79 0.08 0.66 -0.60 0.00 0.00 178.31 179.85 3aad h SER 133 N 0.00 0.08 -0.77 2.17 4.64 -2.01 -1.85 113.55 115.81 3aad h SER 133 Ca -0.19 -0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.62 3aad h SER 133 Cb 1.78 -0.02 -0.29 0.00 -0.31 0.00 0.00 62.40 63.55 3aad h SER 133 CO 0.07 0.06 0.09 0.29 -0.87 0.00 0.00 176.83 176.46 3aad n LYS 134 N -4.52 2.75 -4.55 4.77 5.02 -1.25 -4.87 118.16 115.51 3aad n LYS 134 Ca -0.01 -3.53 -0.28 0.00 -2.02 0.00 0.00 58.31 52.47 3aad n LYS 134 Cb 0.13 -2.17 -0.17 0.00 -0.02 0.00 0.00 35.03 32.81 3aad n LYS 134 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3aad s LEU 135 N -3.58 1.72 -0.21 -0.35 2.96 -0.69 -4.25 118.68 114.28 3aad s LEU 135 Ca 0.55 -0.40 -0.07 0.00 -0.22 0.00 0.00 54.13 53.98 3aad s LEU 135 Cb 0.45 -1.05 -0.04 0.00 0.50 0.00 0.00 46.19 46.06 3aad s LEU 135 CO 0.02 0.03 0.06 -1.58 -1.32 0.00 0.00 176.35 173.56 3aad s GLN 136 N 0.86 3.83 -0.18 1.98 0.74 0.65 -1.38 119.66 126.16 3aad s GLN 136 Ca -0.10 -0.41 -0.23 0.00 0.05 0.00 0.00 55.36 54.68 3aad s GLN 136 Cb -0.15 -3.26 -0.02 0.00 1.10 0.00 0.00 33.01 30.68 3aad s GLN 136 CO 0.01 0.07 0.70 0.50 -0.55 0.00 0.00 175.29 176.02 3aad s ARG 137 N 0.91 4.26 -0.22 1.67 3.52 0.39 -0.88 118.95 128.60 3aad s ARG 137 Ca 0.04 0.77 0.02 0.00 -0.13 0.00 0.00 55.73 56.43 3aad s ARG 137 Cb -0.14 -3.56 0.04 0.00 -1.56 0.00 0.00 34.95 29.73 3aad s ARG 137 CO 0.03 -0.24 -0.13 1.21 -0.81 0.00 0.00 175.30 175.35 3aad s ASN 138 N 1.14 3.79 0.19 -2.12 2.47 0.96 -1.21 114.94 120.16 3aad s ASN 138 Ca 0.33 -1.05 -0.30 0.00 0.42 0.00 0.00 52.86 52.26 3aad s ASN 138 Cb -0.16 -1.44 -0.08 0.00 -1.45 0.00 0.00 41.25 38.12 3aad s ASN 138 CO 0.12 -0.12 1.19 -0.63 -3.72 0.00 0.00 177.10 173.93 3aad s ILE 139 N 1.24 3.59 0.35 -5.21 1.01 -1.26 0.01 121.20 120.92 3aad s ILE 139 Ca -0.03 1.35 -0.25 0.00 0.00 0.00 0.00 60.65 61.72 3aad s ILE 139 Cb -0.17 -3.86 -0.10 0.00 0.01 0.00 0.00 42.46 38.34 3aad s ILE 139 CO -0.08 0.22 0.96 -0.76 0.00 0.00 0.00 174.94 175.28 3aad s LEU 140 N -0.29 4.25 -1.08 2.97 1.43 -0.50 -4.94 118.68 120.53 3aad s LEU 140 Ca 0.52 1.85 -0.05 0.00 -1.03 0.00 0.00 54.13 55.42 3aad s LEU 140 Cb -0.32 -4.11 0.08 0.00 0.03 0.00 0.00 46.19 41.86 3aad s LEU 140 CO 0.37 -0.17 2.56 0.00 0.23 0.00 0.00 176.35 179.33 3aad n ALA 141 N 0.30 6.76 -3.00 4.21 0.00 -1.26 -4.82 120.51 122.70 3aad n ALA 141 Ca 0.03 -3.71 0.00 0.00 0.00 0.00 0.00 53.44 49.76 3aad n ALA 141 Cb 0.50 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 17.32 3aad n ALA 141 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3aad n SER 142 N 1.64 0.00 -4.96 0.00 3.41 -1.26 -5.16 113.62 107.29 3aad n SER 142 Ca 0.59 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 59.00 3aad n SER 142 Cb 0.34 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.28 3aad n SER 142 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3aad s ASN 143 N 1.00 6.07 0.03 4.04 2.47 -1.26 -5.11 114.94 122.18 3aad s ASN 143 Ca 0.00 -0.08 0.00 0.00 0.42 0.00 0.00 52.86 53.20 3aad s ASN 143 Cb 0.00 -1.56 -0.04 0.00 -1.45 0.00 0.00 41.25 38.20 3aad s ASN 143 CO 0.00 -0.20 0.13 -2.16 -3.72 0.00 0.00 177.10 171.15 3aad s PRO 144 N -4.03 3.19 -0.71 0.43 0.05 -1.26 -4.69 135.00 127.98 3aad s PRO 144 Ca 0.38 -0.49 -0.26 0.00 0.05 0.00 0.00 61.00 60.68 3aad s PRO 144 Cb -0.09 -2.92 -0.00 0.00 0.05 0.00 0.00 34.50 31.54 3aad s PRO 144 CO 0.29 0.63 1.68 0.50 0.05 0.00 0.00 177.00 180.14 3aad s ARG 145 N -2.12 2.84 -0.13 4.56 3.52 -0.84 -4.83 118.95 121.97 3aad s ARG 145 Ca 0.28 0.15 -0.26 0.00 -0.13 0.00 0.00 55.73 55.77 3aad s ARG 145 Cb -0.12 -4.46 -0.02 0.00 -1.56 0.00 0.00 34.95 28.78 3aad s ARG 145 CO 0.20 -2.60 0.84 0.08 -0.81 0.00 0.00 175.30 173.01 3aad s VAL 146 N 7.96 4.90 -0.48 7.11 1.01 -1.26 -2.47 120.40 137.18 3aad s VAL 146 Ca 0.57 1.68 0.03 0.00 0.00 0.00 0.00 61.98 64.26 3aad s VAL 146 Cb -0.10 -4.15 0.13 0.00 0.00 0.00 0.00 36.38 32.25 3aad s VAL 146 CO 0.15 0.08 0.23 0.42 0.00 0.00 0.00 175.10 175.98 3aad s THR 147 N 1.76 2.27 -0.93 3.92 -4.23 -0.77 -4.98 115.64 112.67 3aad s THR 147 Ca 0.40 -3.01 -0.24 0.00 -1.18 0.00 0.00 61.69 57.66 3aad s THR 147 Cb -0.17 -2.59 -0.01 0.00 1.34 0.00 0.00 72.50 71.07 3aad s THR 147 CO 0.16 -0.79 1.74 -0.13 -0.54 0.00 0.00 174.62 175.05 3aad s ARG 148 N 0.02 2.96 -0.07 3.99 0.52 -1.26 -2.66 118.95 122.45 3aad s ARG 148 Ca 0.16 -0.56 -0.33 0.00 -0.52 0.00 0.00 55.73 54.49 3aad s ARG 148 Cb -0.25 -5.11 -0.11 0.00 0.52 0.00 0.00 34.95 30.00 3aad s ARG 148 CO -0.01 -2.88 1.94 1.19 0.02 0.00 0.00 175.30 175.56 3aad n PHE 149 N 11.88 2.34 0.00 -0.53 3.01 -1.19 -4.82 117.46 128.15 3aad n PHE 149 Ca 0.35 -0.10 -0.05 0.00 1.01 0.00 0.00 57.45 58.66 3aad n PHE 149 Cb 0.49 -2.70 0.02 0.00 -0.01 0.00 0.00 39.48 37.28 3aad n PHE 149 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 3aad n HIS 150 N 7.27 0.52 -4.02 1.38 1.44 -1.26 -4.75 115.22 115.80 3aad n HIS 150 Ca 0.23 -1.03 -0.20 0.00 -2.01 0.00 0.00 57.72 54.71 3aad n HIS 150 Cb 0.33 -0.51 -0.17 0.00 0.12 0.00 0.00 29.99 29.76 3aad n HIS 150 CO 0.00 0.00 0.00 -1.50 -2.81 0.00 0.00 176.34 172.03 3aad s ILE 151 N -0.67 0.41 0.00 0.61 2.07 -1.26 -4.72 121.20 117.64 3aad s ILE 151 Ca 0.10 -0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.32 3aad s ILE 151 Cb 0.08 -0.48 0.00 0.00 0.13 0.00 0.00 42.46 42.19 3aad s ILE 151 CO 0.01 0.21 0.00 -3.20 -1.91 0.00 0.00 174.94 170.05