#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yso s GLN 2 N 0.00 1.27 0.15 5.55 -0.21 -1.26 -1.33 119.66 123.83 1yso s GLN 2 Ca 0.00 -1.17 -0.07 0.00 0.02 0.00 0.00 55.36 54.15 1yso s GLN 2 Cb 0.00 -1.57 -0.02 0.00 1.00 0.00 0.00 33.01 32.43 1yso s GLN 2 CO 0.00 0.37 0.21 0.00 -2.12 0.00 0.00 175.29 173.76 1yso s ALA 3 N -1.06 0.27 -0.07 6.09 0.00 -0.43 -1.81 121.76 124.74 1yso s ALA 3 Ca 0.09 -1.07 -0.16 0.00 0.00 0.00 0.00 51.96 50.82 1yso s ALA 3 Cb -0.10 0.86 0.04 0.00 0.00 0.00 0.00 23.12 23.92 1yso s ALA 3 CO 0.04 -0.60 0.39 0.54 0.00 0.00 0.00 175.76 176.14 1yso s VAL 4 N -3.99 0.03 -0.04 0.00 0.11 -0.03 -1.15 120.40 115.33 1yso s VAL 4 Ca 0.19 -0.23 0.04 0.00 -2.93 0.00 0.00 61.98 59.05 1yso s VAL 4 Cb 0.05 -0.64 -0.00 0.00 -1.53 0.00 0.00 36.38 34.25 1yso s VAL 4 CO 0.01 -0.13 -0.16 0.00 -3.33 0.00 0.00 175.10 171.48 1yso s ALA 5 N -0.70 1.47 -0.26 1.54 0.00 0.12 -0.84 121.76 123.09 1yso s ALA 5 Ca -0.08 -0.65 -0.08 0.00 0.00 0.00 0.00 51.96 51.15 1yso s ALA 5 Cb -0.04 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 1yso s ALA 5 CO 0.03 0.25 0.10 0.08 0.00 0.00 0.00 175.76 176.23 1yso s VAL 6 N 0.10 4.53 -0.19 0.00 1.01 -1.26 -1.22 120.40 123.37 1yso s VAL 6 Ca -0.05 -0.10 -0.23 0.00 0.00 0.00 0.00 61.98 61.60 1yso s VAL 6 Cb -0.12 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 1yso s VAL 6 CO 0.02 0.32 0.75 -0.76 0.00 0.00 0.00 175.10 175.43 1yso s LEU 7 N 1.64 4.15 0.08 3.92 1.43 0.08 -3.94 118.68 126.04 1yso s LEU 7 Ca 0.06 1.02 0.02 0.00 -1.03 0.00 0.00 54.13 54.20 1yso s LEU 7 Cb -0.15 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 42.95 1yso s LEU 7 CO 0.05 -0.36 -0.07 -0.54 0.23 0.00 0.00 176.35 175.67 1yso s LYS 8 N 2.11 0.73 0.03 1.70 1.02 -0.44 -2.34 119.74 122.54 1yso s LYS 8 Ca 0.34 -1.15 -0.14 0.00 0.02 0.00 0.00 55.97 55.04 1yso s LYS 8 Cb -0.16 -0.21 0.05 0.00 -0.52 0.00 0.00 37.83 36.99 1yso s LYS 8 CO 0.11 -0.00 0.64 0.41 -0.92 0.00 0.00 175.35 175.59 1yso n GLY 9 N 0.43 0.61 1.08 -3.33 0.00 -1.26 -2.10 105.19 100.62 1yso n GLY 9 Ca -0.16 -0.99 0.09 0.00 0.00 0.00 0.00 46.02 44.97 1yso n GLY 9 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yso n ASP 10 N -0.77 3.59 -0.86 1.61 8.00 -1.26 -4.53 116.55 122.32 1yso n ASP 10 Ca 0.01 -2.02 0.07 0.00 0.71 0.00 0.00 54.79 53.56 1yso n ASP 10 Cb 0.31 -0.39 0.21 0.00 -0.02 0.00 0.00 41.12 41.23 1yso n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yso n ALA 11 N 1.19 2.50 -0.27 2.24 0.00 -1.26 -4.96 120.51 119.95 1yso n ALA 11 Ca 0.20 -1.49 0.00 0.00 0.00 0.00 0.00 53.44 52.14 1yso n ALA 11 Cb 0.56 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.41 1yso n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yso n GLY 12 N 0.41 1.05 3.81 0.00 0.00 -1.26 -5.04 105.19 104.16 1yso n GLY 12 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1yso n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yso s VAL 13 N -2.75 5.43 0.19 1.61 1.01 -1.26 -4.20 120.40 120.42 1yso s VAL 13 Ca 0.00 0.28 -0.18 0.00 0.00 0.00 0.00 61.98 62.08 1yso s VAL 13 Cb 0.00 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.95 1yso s VAL 13 CO 0.00 0.54 0.51 -0.94 0.00 0.00 0.00 175.10 175.21 1yso s SER 14 N -0.44 -0.28 0.00 3.32 1.04 -0.84 -4.01 113.70 112.49 1yso s SER 14 Ca 0.13 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1yso s SER 14 Cb -0.12 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1yso s SER 14 CO 0.03 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.83 1yso n GLY 15 N -0.33 -1.43 2.88 7.32 0.00 -0.99 -0.94 105.19 111.70 1yso n GLY 15 Ca -0.11 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.76 1yso n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yso s VAL 16 N -2.47 0.14 -0.09 1.61 1.01 -0.57 -0.74 120.40 119.29 1yso s VAL 16 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1yso s VAL 16 Cb 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 36.24 1yso s VAL 16 CO 0.00 0.06 -0.14 -0.69 0.00 0.00 0.00 175.10 174.34 1yso s VAL 17 N 0.21 1.31 0.07 2.92 1.01 -0.36 -1.84 120.40 123.73 1yso s VAL 17 Ca -0.02 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.48 1yso s VAL 17 Cb -0.04 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1yso s VAL 17 CO -0.01 0.40 -0.14 -0.54 0.00 0.00 0.00 175.10 174.82 1yso s LYS 18 N 0.88 2.10 0.01 2.72 1.02 0.03 -0.70 119.74 125.80 1yso s LYS 18 Ca -0.10 -1.00 0.04 0.00 0.02 0.00 0.00 55.97 54.94 1yso s LYS 18 Cb -0.15 -2.26 -0.02 0.00 -0.52 0.00 0.00 37.83 34.88 1yso s LYS 18 CO 0.01 0.53 -0.13 -0.06 -0.92 0.00 0.00 175.35 174.77 1yso s PHE 19 N -1.08 1.19 -0.06 3.18 0.40 -0.30 -1.28 117.98 120.03 1yso s PHE 19 Ca 0.18 -0.28 -0.03 0.00 -0.60 0.00 0.00 56.93 56.20 1yso s PHE 19 Cb -0.11 -0.74 0.03 0.00 0.51 0.00 0.00 43.02 42.72 1yso s PHE 19 CO 0.10 0.00 0.14 -2.00 0.70 0.00 0.00 175.22 174.16 1yso s GLU 20 N -0.67 0.10 -0.09 0.44 2.12 -0.59 -1.31 118.70 118.70 1yso s GLU 20 Ca 0.03 0.34 -0.04 0.00 0.36 0.00 0.00 54.97 55.66 1yso s GLU 20 Cb -0.06 -0.14 0.04 0.00 0.26 0.00 0.00 34.13 34.23 1yso s GLU 20 CO 0.00 -0.14 0.20 -1.14 -0.54 0.00 0.00 175.26 173.64 1yso s GLN 21 N 0.99 0.14 -0.02 4.30 0.74 -0.44 -0.85 119.66 124.51 1yso s GLN 21 Ca -0.08 0.48 -0.20 0.00 0.05 0.00 0.00 55.36 55.61 1yso s GLN 21 Cb -0.10 -0.15 -0.29 0.00 1.10 0.00 0.00 33.01 33.56 1yso s GLN 21 CO -0.05 -0.19 0.98 0.00 -0.55 0.00 0.00 175.29 175.48 1yso h ALA 22 N 7.41 -0.05 -2.79 1.58 0.00 -1.83 0.12 119.26 123.70 1yso h ALA 22 Ca -0.37 -0.68 -0.07 0.00 0.00 0.00 0.00 54.91 53.78 1yso h ALA 22 Cb 1.14 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 1yso h ALA 22 CO 0.36 0.43 -0.17 -1.54 0.00 0.00 0.00 179.25 178.32 1yso s SER 23 N -7.01 -0.07 0.38 0.00 1.04 -1.26 -4.48 113.70 102.30 1yso s SER 23 Ca -0.13 -0.93 0.06 0.00 0.48 0.00 0.00 55.95 55.43 1yso s SER 23 Cb 0.02 0.55 0.76 0.00 0.10 0.00 0.00 66.02 67.45 1yso s SER 23 CO 0.85 -1.08 1.99 -0.08 0.98 0.00 0.00 173.24 175.90 1yso h GLU 24 N 2.31 0.55 0.00 4.02 4.81 -1.93 -2.05 114.58 122.30 1yso h GLU 24 Ca -0.28 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 58.83 1yso h GLU 24 Cb 1.25 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1yso h GLU 24 CO 0.38 0.44 -0.32 0.66 -0.73 0.00 0.00 179.01 179.44 1yso h SER 25 N 0.56 0.00 -4.10 1.04 4.64 -1.97 -3.46 113.55 110.25 1yso h SER 25 Ca 0.14 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.96 1yso h SER 25 Cb 0.07 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.23 1yso h SER 25 CO -0.02 0.32 0.41 -1.61 -0.87 0.00 0.00 176.83 175.07 1yso s GLU 26 N -3.10 3.38 0.70 4.77 0.41 -0.77 -5.03 118.70 119.06 1yso s GLU 26 Ca 0.05 1.51 -0.15 0.00 -0.41 0.00 0.00 54.97 55.96 1yso s GLU 26 Cb 0.07 -2.02 0.02 0.00 -1.78 0.00 0.00 34.13 30.43 1yso s GLU 26 CO 0.71 -0.81 1.19 -2.14 -0.49 0.00 0.00 175.26 173.72 1yso s PRO 27 N -3.41 2.33 -0.10 0.39 0.02 -1.26 -4.85 135.00 128.11 1yso s PRO 27 Ca 0.70 1.72 -0.15 0.00 0.02 0.00 0.00 61.00 63.29 1yso s PRO 27 Cb -0.22 -1.86 -0.05 0.00 0.02 0.00 0.00 34.50 32.40 1yso s PRO 27 CO 0.28 -1.68 0.38 0.99 -0.33 0.00 0.00 177.00 176.64 1yso s THR 28 N -1.98 5.19 -0.17 0.99 2.01 -0.45 -4.65 115.64 116.58 1yso s THR 28 Ca 0.74 0.75 -0.21 0.00 0.31 0.00 0.00 61.69 63.28 1yso s THR 28 Cb -0.28 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 1yso s THR 28 CO 0.43 0.43 0.62 -0.89 -0.69 0.00 0.00 174.62 174.52 1yso s THR 29 N 0.01 5.04 -0.18 -0.82 2.01 -0.03 -0.97 115.64 120.70 1yso s THR 29 Ca 0.22 1.19 -0.05 0.00 0.31 0.00 0.00 61.69 63.36 1yso s THR 29 Cb -0.15 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 1yso s THR 29 CO 0.09 0.15 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.48 1yso s VAL 30 N 1.62 4.00 0.01 3.82 1.01 0.55 -1.54 120.40 129.87 1yso s VAL 30 Ca 0.29 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 62.03 1yso s VAL 30 Cb -0.16 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1yso s VAL 30 CO 0.11 0.45 -0.17 -0.44 0.00 0.00 0.00 175.10 175.05 1yso s SER 31 N 0.75 2.03 0.07 3.32 0.01 -0.40 -1.06 113.70 118.41 1yso s SER 31 Ca -0.00 -0.38 -0.07 0.00 1.31 0.00 0.00 55.95 56.80 1yso s SER 31 Cb -0.14 -0.19 -0.01 0.00 0.21 0.00 0.00 66.02 65.89 1yso s SER 31 CO 0.02 0.16 0.15 -0.72 0.41 0.00 0.00 173.24 173.26 1yso s TYR 32 N -0.58 0.20 -0.19 2.43 1.13 -0.18 -0.79 117.35 119.36 1yso s TYR 32 Ca 0.06 -0.61 -0.04 0.00 -1.41 0.00 0.00 57.07 55.07 1yso s TYR 32 Cb -0.07 -0.11 0.10 0.00 -1.10 0.00 0.00 41.96 40.77 1yso s TYR 32 CO 0.00 -0.49 0.28 -2.00 -2.51 0.00 0.00 175.55 170.83 1yso s GLU 33 N -3.59 0.22 -0.05 -3.49 2.12 -0.76 -1.73 118.70 111.42 1yso s GLU 33 Ca 0.03 0.45 0.03 0.00 0.36 0.00 0.00 54.97 55.84 1yso s GLU 33 Cb 0.04 -0.68 0.01 0.00 0.26 0.00 0.00 34.13 33.76 1yso s GLU 33 CO -0.09 -0.55 -0.13 0.42 -0.54 0.00 0.00 175.26 174.37 1yso s ILE 34 N 2.41 1.13 0.36 -3.70 1.01 0.15 -1.51 121.20 121.05 1yso s ILE 34 Ca 0.07 -0.50 0.06 0.00 0.00 0.00 0.00 60.65 60.28 1yso s ILE 34 Cb -0.15 -1.02 -0.07 0.00 0.01 0.00 0.00 42.46 41.23 1yso s ILE 34 CO -0.12 0.35 0.01 0.00 0.00 0.00 0.00 174.94 175.18 1yso s ALA 35 N 0.48 2.79 0.00 9.38 0.00 -0.12 -0.69 121.76 133.60 1yso s ALA 35 Ca -0.11 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 49.69 1yso s ALA 35 Cb -0.14 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1yso s ALA 35 CO 0.03 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1yso n GLY 36 N -0.82 0.58 3.95 0.00 0.00 -1.21 -1.98 105.19 105.71 1yso n GLY 36 Ca -0.04 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 1yso n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yso s ASN 37 N -2.31 4.85 0.42 1.61 0.01 -0.81 -4.39 114.94 114.33 1yso s ASN 37 Ca 0.00 0.18 -0.26 0.00 -0.71 0.00 0.00 52.86 52.08 1yso s ASN 37 Cb 0.00 -0.86 -0.10 0.00 0.41 0.00 0.00 41.25 40.70 1yso s ASN 37 CO 0.00 -1.51 1.33 -1.20 -1.51 0.00 0.00 177.10 174.21 1yso n SER 38 N -2.74 2.87 -4.79 -1.22 7.64 -1.26 -4.36 113.62 109.75 1yso n SER 38 Ca 0.09 1.13 -0.34 0.00 1.01 0.00 0.00 58.87 60.76 1yso n SER 38 Cb 0.60 -1.54 -0.02 0.00 -1.01 0.00 0.00 64.21 62.24 1yso n SER 38 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1yso s PRO 39 N -2.24 3.67 -1.27 1.43 0.04 -1.26 -4.22 135.00 131.15 1yso s PRO 39 Ca 0.60 1.38 -0.14 0.00 0.04 0.00 0.00 61.00 62.88 1yso s PRO 39 Cb -0.49 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1yso s PRO 39 CO 0.59 -0.54 0.60 0.09 0.04 0.00 0.00 177.00 177.77 1yso n ASN 40 N -1.15 -2.92 -4.25 6.66 3.02 -0.24 -4.94 115.26 111.44 1yso n ASN 40 Ca 0.10 -1.06 -0.18 0.00 -0.03 0.00 0.00 54.58 53.41 1yso n ASN 40 Cb 0.52 -2.96 -0.10 0.00 -0.61 0.00 0.00 39.78 36.63 1yso n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yso s ALA 41 N -3.71 1.86 -0.11 5.41 0.00 -1.22 -4.92 121.76 119.07 1yso s ALA 41 Ca 0.27 -1.83 0.03 0.00 0.00 0.00 0.00 51.96 50.43 1yso s ALA 41 Cb -0.11 1.04 -0.00 0.00 0.00 0.00 0.00 23.12 24.04 1yso s ALA 41 CO 0.89 -0.46 -0.20 -1.21 0.00 0.00 0.00 175.76 174.78 1yso s GLU 42 N -3.97 3.16 -0.04 0.00 2.02 -1.26 -0.96 118.70 117.65 1yso s GLU 42 Ca 0.37 -0.82 0.05 0.00 0.02 0.00 0.00 54.97 54.59 1yso s GLU 42 Cb 0.07 -2.41 -0.01 0.00 0.10 0.00 0.00 34.13 31.88 1yso s GLU 42 CO 0.15 0.18 -0.18 1.03 0.02 0.00 0.00 175.26 176.45 1yso s ARG 43 N 0.37 1.84 0.34 1.61 1.81 0.06 -3.46 118.95 121.52 1yso s ARG 43 Ca -0.16 -0.65 -0.29 0.00 -1.72 0.00 0.00 55.73 52.92 1yso s ARG 43 Cb -0.17 -1.61 -0.11 0.00 -0.45 0.00 0.00 34.95 32.61 1yso s ARG 43 CO 0.07 0.28 1.43 0.20 -0.68 0.00 0.00 175.30 176.60 1yso s GLY 44 N -0.04 2.81 -0.14 -3.53 0.00 -0.35 -0.62 107.32 105.45 1yso s GLY 44 Ca -0.03 1.45 -0.03 0.00 0.00 0.00 0.00 44.72 46.11 1yso s GLY 44 CO 0.02 2.18 0.06 -0.12 0.00 0.00 0.00 173.10 175.24 1yso s PHE 45 N -0.89 0.44 0.12 1.90 5.36 -0.24 -0.43 117.98 124.24 1yso s PHE 45 Ca 0.53 -0.32 -0.06 0.00 -0.96 0.00 0.00 56.93 56.12 1yso s PHE 45 Cb -0.44 -0.75 -0.02 0.00 -0.34 0.00 0.00 43.02 41.47 1yso s PHE 45 CO 0.56 -0.45 0.15 -1.01 -1.46 0.00 0.00 175.22 173.01 1yso s HIS 46 N 2.05 0.47 -0.22 10.12 3.76 -0.69 -2.27 115.29 128.51 1yso s HIS 46 Ca 0.02 -0.88 -0.12 0.00 -0.15 0.00 0.00 55.06 53.93 1yso s HIS 46 Cb -0.15 -0.21 -0.05 0.00 1.11 0.00 0.00 32.58 33.28 1yso s HIS 46 CO -0.07 -0.57 0.22 0.42 -0.85 0.00 0.00 174.74 173.89 1yso s ILE 47 N -3.95 5.32 0.22 0.60 1.01 0.09 -1.07 121.20 123.43 1yso s ILE 47 Ca 0.14 0.34 0.05 0.00 0.00 0.00 0.00 60.65 61.18 1yso s ILE 47 Cb 0.05 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 1yso s ILE 47 CO -0.04 0.34 0.33 -1.00 0.00 0.00 0.00 174.94 174.57 1yso s HIS 48 N 0.96 3.42 0.18 3.97 3.76 -0.14 -1.27 115.29 126.16 1yso s HIS 48 Ca 0.11 -0.01 -0.12 0.00 -0.15 0.00 0.00 55.06 54.90 1yso s HIS 48 Cb -0.13 -1.57 0.09 0.00 1.11 0.00 0.00 32.58 32.08 1yso s HIS 48 CO 0.04 0.46 1.75 1.49 -0.85 0.00 0.00 174.74 177.64 1yso h GLU 49 N 1.38 0.91 -6.36 1.40 4.81 -0.60 -3.02 114.58 113.11 1yso h GLU 49 Ca -0.51 -0.15 -0.66 0.00 -0.13 0.00 0.00 59.36 57.91 1yso h GLU 49 Cb 1.22 -0.16 -0.15 0.00 0.63 0.00 0.00 28.75 30.30 1yso h GLU 49 CO 0.62 0.75 -0.69 -0.06 -0.73 0.00 0.00 179.01 178.90 1yso s PHE 50 N -5.64 2.90 -0.82 0.92 0.08 -0.33 -4.66 117.98 110.44 1yso s PHE 50 Ca -0.13 -0.05 -0.02 0.00 0.12 0.00 0.00 56.93 56.85 1yso s PHE 50 Cb 0.13 -1.55 0.36 0.00 -0.57 0.00 0.00 43.02 41.40 1yso s PHE 50 CO 0.79 0.43 2.02 0.41 -0.10 0.00 0.00 175.22 178.77 1yso n GLY 51 N 1.02 5.58 3.39 4.36 0.00 -1.07 -3.51 105.19 114.97 1yso n GLY 51 Ca -0.13 -2.46 -0.37 0.00 0.00 0.00 0.00 46.02 43.06 1yso n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yso s ASP 52 N -1.23 5.08 -0.22 1.61 -1.08 -1.26 -4.93 116.67 114.64 1yso s ASP 52 Ca 0.54 -0.44 0.14 0.00 -0.52 0.00 0.00 52.55 52.27 1yso s ASP 52 Cb 0.45 -1.90 0.52 0.00 -1.46 0.00 0.00 42.92 40.54 1yso s ASP 52 CO -0.36 -0.11 1.45 0.00 0.52 0.00 0.00 175.17 176.67 1yso n ALA 53 N 4.90 3.48 0.25 3.66 0.00 -1.26 -3.40 120.51 128.14 1yso n ALA 53 Ca -0.16 -2.60 0.13 0.00 0.00 0.00 0.00 53.44 50.82 1yso n ALA 53 Cb 0.50 -0.74 0.55 0.00 0.00 0.00 0.00 19.45 19.76 1yso n ALA 53 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1yso h THR 54 N 1.48 0.31 -2.14 0.00 1.35 -1.93 -3.30 112.91 108.69 1yso h THR 54 Ca 0.09 -0.84 -0.58 0.00 -0.55 0.00 0.00 66.41 64.53 1yso h THR 54 Cb 1.55 1.65 -0.40 0.00 -1.73 0.00 0.00 68.15 69.23 1yso h THR 54 CO 0.30 0.12 -0.91 -3.20 -0.25 0.00 0.00 175.52 171.58 1yso n ASN 55 N -3.27 1.38 0.00 5.36 4.05 -1.26 -5.06 115.26 116.47 1yso n ASN 55 Ca 0.00 -2.93 0.00 0.00 0.45 0.00 0.00 54.58 52.11 1yso n ASN 55 Cb 0.37 -0.65 0.00 0.00 1.23 0.00 0.00 39.78 40.74 1yso n ASN 55 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1yso n GLY 56 N 1.37 2.77 0.35 8.20 0.00 -1.24 -1.81 105.19 114.83 1yso n GLY 56 Ca 0.25 -0.30 0.13 0.00 0.00 0.00 0.00 46.02 46.09 1yso n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yso h VAL 58 N 1.74 1.26 0.00 0.00 2.07 -1.71 -3.03 116.25 116.58 1yso h VAL 58 Ca 0.00 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.49 1yso h VAL 58 Cb 0.53 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1yso h VAL 58 CO 0.00 0.34 0.00 -1.54 0.02 0.00 0.00 177.57 176.39 1yso n SER 59 N -4.46 0.00 0.24 0.57 3.41 -1.14 -2.45 113.62 109.80 1yso n SER 59 Ca -0.01 -0.51 0.16 0.00 -0.26 0.00 0.00 58.87 58.25 1yso n SER 59 Cb 0.29 -0.07 0.73 0.00 -0.26 0.00 0.00 64.21 64.90 1yso n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yso h ALA 60 N 3.26 1.00 -0.19 7.33 0.00 -1.54 -3.39 119.26 125.73 1yso h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yso h ALA 60 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1yso h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1yso n GLY 61 N -0.30 -1.28 3.78 0.00 0.00 -1.02 -1.19 105.19 105.18 1yso n GLY 61 Ca 0.00 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 1yso n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1yso s PRO 62 N 0.00 0.23 0.44 1.61 0.04 -1.26 -4.63 135.00 131.43 1yso s PRO 62 Ca 0.00 -0.09 -0.25 0.00 0.04 0.00 0.00 61.00 60.70 1yso s PRO 62 Cb 0.00 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.69 1yso s PRO 62 CO 0.00 -2.74 1.40 -1.01 0.04 0.00 0.00 177.00 174.69 1yso s HIS 63 N -3.43 2.52 -0.07 0.56 3.76 -1.26 -0.36 115.29 117.02 1yso s HIS 63 Ca 0.70 1.29 -0.30 0.00 -0.15 0.00 0.00 55.06 56.60 1yso s HIS 63 Cb -0.09 -3.87 -0.05 0.00 1.11 0.00 0.00 32.58 29.68 1yso s HIS 63 CO 0.54 -2.78 1.53 0.12 -0.85 0.00 0.00 174.74 173.30 1yso s PHE 64 N -1.21 2.31 -0.40 1.40 5.36 -0.40 -4.51 117.98 120.52 1yso s PHE 64 Ca 0.60 0.47 0.09 0.00 -0.96 0.00 0.00 56.93 57.13 1yso s PHE 64 Cb -0.43 -3.79 0.31 0.00 -0.34 0.00 0.00 43.02 38.77 1yso s PHE 64 CO 0.55 -3.18 0.75 -1.71 -1.46 0.00 0.00 175.22 170.18 1yso n ASN 65 N 6.72 -0.27 0.28 6.13 5.15 -1.26 -1.56 115.26 130.44 1yso n ASN 65 Ca 0.16 -3.07 0.15 0.00 -0.60 0.00 0.00 54.58 51.22 1yso n ASN 65 Cb 0.43 0.05 0.83 0.00 -0.53 0.00 0.00 39.78 40.57 1yso n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1yso h PRO 66 N 3.39 0.00 -0.35 1.20 0.13 -1.99 -2.70 132.00 131.67 1yso h PRO 66 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1yso h PRO 66 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1yso h PRO 66 CO 0.41 0.07 0.00 1.19 -0.23 0.00 0.00 178.00 179.44 1yso n PHE 67 N -3.56 0.46 -3.69 1.56 3.72 -1.26 -4.97 117.46 109.71 1yso n PHE 67 Ca -0.02 -0.23 -0.24 0.00 -0.05 0.00 0.00 57.45 56.91 1yso n PHE 67 Cb 0.19 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.76 1yso n PHE 67 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1yso n LYS 68 N 1.13 -3.52 -3.68 -1.08 5.02 -1.02 -5.02 118.16 109.98 1yso n LYS 68 Ca 0.18 0.57 -0.23 0.00 -2.02 0.00 0.00 58.31 56.81 1yso n LYS 68 Cb 0.51 -4.89 -0.01 0.00 -0.02 0.00 0.00 35.03 30.62 1yso n LYS 68 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1yso s LYS 69 N -5.91 2.36 0.51 1.97 1.02 -1.26 -5.13 119.74 113.30 1yso s LYS 69 Ca 0.16 -1.79 -0.02 0.00 0.02 0.00 0.00 55.97 54.34 1yso s LYS 69 Cb -0.05 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 35.01 1yso s LYS 69 CO 0.83 -0.46 0.77 0.95 -0.92 0.00 0.00 175.35 176.51 1yso s THR 70 N -2.64 3.78 0.40 2.17 -4.23 -1.26 -4.75 115.64 109.12 1yso s THR 70 Ca 0.43 -0.30 -0.27 0.00 -1.18 0.00 0.00 61.69 60.37 1yso s THR 70 Cb -0.03 -3.44 -0.10 0.00 1.34 0.00 0.00 72.50 70.28 1yso s THR 70 CO 0.26 -0.37 1.42 -2.28 -0.54 0.00 0.00 174.62 173.10 1yso s HIS 71 N -2.74 2.63 0.08 3.99 2.46 -0.45 -3.00 115.29 118.26 1yso s HIS 71 Ca 0.51 1.27 -0.02 0.00 0.47 0.00 0.00 55.06 57.29 1yso s HIS 71 Cb -0.10 -3.89 0.01 0.00 -0.13 0.00 0.00 32.58 28.47 1yso s HIS 71 CO 0.41 -2.70 0.15 0.41 -2.47 0.00 0.00 174.74 170.54 1yso n GLY 72 N 0.57 2.12 3.90 1.59 0.00 -1.26 -4.35 105.19 107.76 1yso n GLY 72 Ca 0.03 -1.17 -0.28 0.00 0.00 0.00 0.00 46.02 44.59 1yso n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yso s ALA 73 N -1.41 3.36 0.62 4.61 0.00 -1.23 -4.71 121.76 123.00 1yso s ALA 73 Ca 0.04 -0.41 0.34 0.00 0.00 0.00 0.00 51.96 51.94 1yso s ALA 73 Cb -0.01 -2.66 1.99 0.00 0.00 0.00 0.00 23.12 22.45 1yso s ALA 73 CO 0.03 -0.32 2.26 -1.00 0.00 0.00 0.00 175.76 176.74 1yso h PRO 74 N 0.37 0.00 -0.01 0.00 0.13 -1.89 -0.18 132.00 130.41 1yso h PRO 74 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1yso h PRO 74 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1yso h PRO 74 CO 0.62 0.00 -0.16 0.25 -0.23 0.00 0.00 178.00 178.48 1yso n THR 75 N -3.56 0.00 -2.72 1.56 -2.24 -1.26 -4.90 114.28 101.16 1yso n THR 75 Ca -0.02 -0.20 -0.33 0.00 -2.27 0.00 0.00 64.05 61.22 1yso n THR 75 Cb 0.12 0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 68.83 1yso n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1yso s ASP 76 N -2.28 6.73 0.11 3.42 1.01 -0.08 -4.97 116.67 120.60 1yso s ASP 76 Ca 0.29 1.77 -0.15 0.00 0.71 0.00 0.00 52.55 55.18 1yso s ASP 76 Cb 0.20 -2.55 -0.07 0.00 1.01 0.00 0.00 42.92 41.52 1yso s ASP 76 CO 0.44 -0.51 1.46 -0.33 0.21 0.00 0.00 175.17 176.44 1yso h GLU 77 N 1.77 0.72 -5.24 8.23 5.08 -1.90 -3.41 114.58 119.83 1yso h GLU 77 Ca -0.49 -0.34 -0.67 0.00 -1.00 0.00 0.00 59.36 56.87 1yso h GLU 77 Cb 1.19 -0.01 -0.16 0.00 0.50 0.00 0.00 28.75 30.27 1yso h GLU 77 CO 0.60 0.95 0.09 0.08 -1.00 0.00 0.00 179.01 179.73 1yso s VAL 78 N -4.52 4.85 -0.05 3.13 1.01 -1.26 -4.97 120.40 118.59 1yso s VAL 78 Ca -0.12 -0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 1yso s VAL 78 Cb 0.09 -4.23 0.10 0.00 0.00 0.00 0.00 36.38 32.33 1yso s VAL 78 CO 0.82 -0.67 0.81 0.00 0.00 0.00 0.00 175.10 176.07 1yso s ARG 79 N 2.75 0.89 0.47 2.72 1.70 -1.20 -4.17 118.95 122.10 1yso s ARG 79 Ca 0.20 -0.00 -0.22 0.00 -0.47 0.00 0.00 55.73 55.23 1yso s ARG 79 Cb -0.16 0.42 -0.07 0.00 -0.57 0.00 0.00 34.95 34.56 1yso s ARG 79 CO 0.16 -0.32 1.13 -1.01 -1.08 0.00 0.00 175.30 174.18 1yso s HIS 80 N -1.94 2.92 0.31 5.89 3.76 -1.16 -4.71 115.29 120.35 1yso s HIS 80 Ca -0.03 1.56 0.07 0.00 -0.15 0.00 0.00 55.06 56.51 1yso s HIS 80 Cb -0.00 -3.30 0.79 0.00 1.11 0.00 0.00 32.58 31.18 1yso s HIS 80 CO -0.00 -1.31 1.74 0.28 -0.85 0.00 0.00 174.74 174.60 1yso h VAL 81 N 1.79 0.58 0.00 -0.90 2.07 -1.88 -2.48 116.25 115.42 1yso h VAL 81 Ca -0.49 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1yso h VAL 81 Cb 1.24 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1yso h VAL 81 CO 0.60 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.91 1yso n GLY 82 N -1.32 -0.88 3.60 2.17 0.00 -0.60 -4.49 105.19 103.66 1yso n GLY 82 Ca 0.24 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1yso n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yso s ASP 83 N -2.11 6.43 -0.09 1.61 1.01 -0.94 -0.73 116.67 121.85 1yso s ASP 83 Ca 0.37 0.55 0.14 0.00 0.71 0.00 0.00 52.55 54.32 1yso s ASP 83 Cb 0.18 -2.55 0.46 0.00 1.01 0.00 0.00 42.92 42.03 1yso s ASP 83 CO 0.32 -1.41 1.38 0.23 0.21 0.00 0.00 175.17 175.91 1yso n MET 84 N 8.10 3.05 0.00 8.23 2.81 -0.96 -4.22 117.12 134.13 1yso n MET 84 Ca 0.14 -2.50 0.00 0.00 -1.81 0.00 0.00 57.70 53.53 1yso n MET 84 Cb 0.49 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 1yso n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1yso n GLY 85 N 0.23 0.30 3.62 3.03 0.00 -1.23 -4.77 105.19 106.38 1yso n GLY 85 Ca 0.18 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 1yso n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yso s ASN 86 N -4.00 4.75 0.06 1.61 0.01 -1.26 -1.08 114.94 115.03 1yso s ASN 86 Ca 0.00 -0.12 0.01 0.00 -0.71 0.00 0.00 52.86 52.04 1yso s ASN 86 Cb 0.00 -1.14 -0.04 0.00 0.41 0.00 0.00 41.25 40.48 1yso s ASN 86 CO 0.00 0.28 0.14 0.68 -1.51 0.00 0.00 177.10 176.68 1yso s VAL 87 N -1.03 4.95 -0.16 1.60 -7.23 0.21 -4.82 120.40 113.91 1yso s VAL 87 Ca 0.18 -0.54 -0.09 0.00 -1.81 0.00 0.00 61.98 59.72 1yso s VAL 87 Cb -0.11 -3.38 -0.05 0.00 0.56 0.00 0.00 36.38 33.40 1yso s VAL 87 CO 0.09 0.17 0.14 -0.54 -0.31 0.00 0.00 175.10 174.65 1yso s LYS 88 N -2.33 3.89 0.02 4.82 1.02 -1.26 -0.76 119.74 125.14 1yso s LYS 88 Ca 0.31 -0.17 -0.03 0.00 0.02 0.00 0.00 55.97 56.10 1yso s LYS 88 Cb -0.13 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 1yso s LYS 88 CO 0.23 0.49 0.21 0.95 -0.92 0.00 0.00 175.35 176.32 1yso s THR 89 N -0.20 5.39 0.00 2.17 -4.23 -0.13 -4.36 115.64 114.28 1yso s THR 89 Ca 0.11 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 1yso s THR 89 Cb -0.12 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.15 1yso s THR 89 CO 0.01 0.26 0.00 -0.90 -0.54 0.00 0.00 174.62 173.45 1yso n ASP 90 N 0.73 0.00 0.04 3.99 5.68 0.15 -2.60 116.55 124.54 1yso n ASP 90 Ca -0.09 -0.37 0.10 0.00 -0.50 0.00 0.00 54.79 53.94 1yso n ASP 90 Cb 0.52 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 40.93 1yso n ASP 90 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1yso n GLU 91 N -0.37 0.08 -0.29 0.11 0.00 -1.26 -1.08 120.64 117.83 1yso n GLU 91 Ca 0.00 0.24 0.09 0.00 0.00 0.00 0.00 57.16 57.49 1yso n GLU 91 Cb 0.00 -1.63 0.25 0.00 0.00 0.00 0.00 31.44 30.06 1yso n GLU 91 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1yso n ASN 92 N -1.77 3.51 -0.57 -1.84 3.02 -1.26 -4.79 115.26 111.57 1yso n ASN 92 Ca 0.04 -2.00 -0.06 0.00 -0.03 0.00 0.00 54.58 52.53 1yso n ASN 92 Cb 0.24 -0.38 -0.02 0.00 -0.61 0.00 0.00 39.78 39.02 1yso n ASN 92 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yso n GLY 93 N 1.17 0.66 3.83 7.41 0.00 -0.40 -4.66 105.19 113.20 1yso n GLY 93 Ca 0.19 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 1yso n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yso s VAL 94 N -2.27 5.42 -0.16 1.61 1.01 -1.26 -1.92 120.40 122.83 1yso s VAL 94 Ca 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1yso s VAL 94 Cb 0.00 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 1yso s VAL 94 CO 0.00 0.57 -0.10 0.00 0.00 0.00 0.00 175.10 175.57 1yso s ALA 95 N -0.65 2.69 -0.08 5.51 0.00 0.13 -0.67 121.76 128.69 1yso s ALA 95 Ca 0.13 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 51.06 1yso s ALA 95 Cb -0.12 -1.38 0.03 0.00 0.00 0.00 0.00 23.12 21.66 1yso s ALA 95 CO 0.02 0.02 0.19 0.21 0.00 0.00 0.00 175.76 176.20 1yso s LYS 96 N 0.73 0.16 0.00 0.00 2.20 -1.26 -0.68 119.74 120.89 1yso s LYS 96 Ca -0.05 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.95 1yso s LYS 96 Cb -0.15 -0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.09 1yso s LYS 96 CO 0.02 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.30 1yso n GLY 97 N 3.84 -1.29 3.46 5.54 0.00 -0.71 -4.98 105.19 111.05 1yso n GLY 97 Ca -0.22 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.74 1yso n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yso s SER 98 N -3.33 -0.58 0.22 1.61 1.04 -1.26 -1.01 113.70 110.39 1yso s SER 98 Ca 0.00 0.39 -0.18 0.00 0.48 0.00 0.00 55.95 56.64 1yso s SER 98 Cb 0.00 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.69 1yso s SER 98 CO 0.00 -0.73 0.57 0.72 0.98 0.00 0.00 173.24 174.78 1yso s PHE 99 N -2.17 -0.09 0.03 5.02 -0.12 -0.22 -4.98 117.98 115.46 1yso s PHE 99 Ca -0.06 -0.28 0.04 0.00 -0.05 0.00 0.00 56.93 56.58 1yso s PHE 99 Cb -0.01 0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 42.80 1yso s PHE 99 CO 0.01 -1.00 -0.06 0.15 -0.05 0.00 0.00 175.22 174.27 1yso s LYS 100 N -3.90 2.49 -0.01 1.99 1.02 -1.26 -0.33 119.74 119.73 1yso s LYS 100 Ca 0.11 -0.79 -0.01 0.00 0.02 0.00 0.00 55.97 55.30 1yso s LYS 100 Cb -0.02 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 1yso s LYS 100 CO 0.01 0.58 0.03 0.34 -0.92 0.00 0.00 175.35 175.38 1yso s ASP 101 N -1.70 -0.03 0.00 2.83 2.15 -0.14 -4.95 116.67 114.84 1yso s ASP 101 Ca 0.19 0.06 0.22 0.00 0.43 0.00 0.00 52.55 53.45 1yso s ASP 101 Cb -0.11 0.05 0.05 0.00 -0.30 0.00 0.00 42.92 42.61 1yso s ASP 101 CO 0.10 -0.02 1.10 -1.20 -0.17 0.00 0.00 175.17 174.98 1yso n SER 102 N 3.13 2.25 -0.06 -0.34 7.64 -1.26 -1.34 113.62 123.65 1yso n SER 102 Ca -0.13 -1.62 -0.15 0.00 1.01 0.00 0.00 58.87 57.98 1yso n SER 102 Cb 0.59 0.33 -0.14 0.00 -1.01 0.00 0.00 64.21 63.99 1yso n SER 102 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1yso n LEU 103 N 0.36 1.69 -4.70 -3.43 4.32 -1.26 -4.88 117.00 109.10 1yso n LEU 103 Ca 0.10 0.14 -0.42 0.00 -0.02 0.00 0.00 56.01 55.81 1yso n LEU 103 Cb 0.48 -0.39 -0.03 0.00 -1.62 0.00 0.00 43.42 41.87 1yso n LEU 103 CO 0.23 0.68 0.96 -0.63 -1.22 0.00 0.00 177.39 177.41 1yso s ILE 104 N -2.55 4.00 0.04 -0.08 1.01 -1.26 -5.00 121.20 117.36 1yso s ILE 104 Ca -0.18 1.40 0.03 0.00 0.00 0.00 0.00 60.65 61.89 1yso s ILE 104 Cb 0.07 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 1yso s ILE 104 CO 0.76 0.05 -0.09 -0.54 0.00 0.00 0.00 174.94 175.13 1yso s LYS 105 N 1.67 0.58 0.00 2.79 1.02 -1.26 -4.16 119.74 120.37 1yso s LYS 105 Ca 0.59 -0.69 0.19 0.00 0.02 0.00 0.00 55.97 56.08 1yso s LYS 105 Cb -0.29 -0.42 -0.03 0.00 -0.52 0.00 0.00 37.83 36.57 1yso s LYS 105 CO 0.26 0.09 0.95 1.28 -0.92 0.00 0.00 175.35 177.01 1yso n LEU 106 N 1.71 1.73 -4.19 3.17 4.77 -1.26 -0.78 117.00 122.15 1yso n LEU 106 Ca -0.21 -0.73 -0.25 0.00 -0.03 0.00 0.00 56.01 54.79 1yso n LEU 106 Cb 0.55 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.49 1yso n LEU 106 CO 0.22 0.33 -0.51 -0.63 -1.33 0.00 0.00 177.39 175.47 1yso s ILE 107 N -2.25 1.47 0.00 -0.08 1.01 -1.26 -4.73 121.20 115.36 1yso s ILE 107 Ca 0.15 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1yso s ILE 107 Cb 0.15 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.39 1yso s ILE 107 CO 0.52 0.36 0.00 0.61 0.00 0.00 0.00 174.94 176.43 1yso n GLY 108 N 2.47 -3.34 0.24 6.18 0.00 -1.26 -4.37 105.19 105.11 1yso n GLY 108 Ca -0.15 -1.96 0.16 0.00 0.00 0.00 0.00 46.02 44.07 1yso n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yso h PRO 109 N 0.00 0.00 -0.47 1.61 0.13 -2.00 -1.84 132.00 129.44 1yso h PRO 109 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1yso h PRO 109 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1yso h PRO 109 CO 0.00 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.02 1yso n THR 110 N -2.71 2.41 -1.62 1.56 -2.24 -1.26 -5.02 114.28 105.40 1yso n THR 110 Ca -0.01 -1.52 -0.46 0.00 -2.27 0.00 0.00 64.05 59.79 1yso n THR 110 Cb 0.16 -0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.18 1yso n THR 110 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1yso n SER 111 N 0.31 1.89 -0.62 3.42 2.88 -0.69 -4.51 113.62 116.30 1yso n SER 111 Ca 0.25 1.15 0.11 0.00 -1.33 0.00 0.00 58.87 59.05 1yso n SER 111 Cb 1.03 -1.32 0.36 0.00 -0.75 0.00 0.00 64.21 63.52 1yso n SER 111 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1yso n VAL 112 N 1.26 0.23 -1.82 2.46 0.24 0.04 -4.91 118.33 115.82 1yso n VAL 112 Ca 0.12 -0.39 -0.42 0.00 -2.04 0.00 0.00 64.34 61.61 1yso n VAL 112 Cb 0.29 0.47 -0.02 0.00 -1.47 0.00 0.00 33.84 33.11 1yso n VAL 112 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1yso s VAL 113 N -1.77 2.23 0.00 3.34 1.01 -1.26 -1.71 120.40 122.23 1yso s VAL 113 Ca 0.33 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1yso s VAL 113 Cb 0.18 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1yso s VAL 113 CO 0.27 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1yso n GLY 114 N 2.83 0.78 0.00 4.51 0.00 0.02 -5.00 105.19 108.33 1yso n GLY 114 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1yso n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yso n ARG 115 N -2.04 2.05 -4.30 1.61 1.74 -0.69 -2.58 116.66 112.45 1yso n ARG 115 Ca 0.00 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 1yso n ARG 115 Cb 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.31 1yso n ARG 115 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1yso s SER 116 N -0.84 2.32 -0.10 0.55 0.01 -1.14 -0.68 113.70 113.82 1yso s SER 116 Ca 0.00 -0.64 -0.03 0.00 1.31 0.00 0.00 55.95 56.58 1yso s SER 116 Cb 0.00 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 1yso s SER 116 CO 0.00 0.04 0.04 -0.69 0.41 0.00 0.00 173.24 173.04 1yso s VAL 117 N -1.13 4.63 -0.05 3.43 1.01 -0.11 -0.97 120.40 127.21 1yso s VAL 117 Ca 0.05 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1yso s VAL 117 Cb -0.10 -2.98 0.01 0.00 0.00 0.00 0.00 36.38 33.31 1yso s VAL 117 CO 0.03 0.60 -0.13 -0.69 0.00 0.00 0.00 175.10 174.92 1yso s VAL 118 N -0.82 1.12 -0.17 2.92 1.01 -0.23 -1.64 120.40 122.60 1yso s VAL 118 Ca 0.13 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 1yso s VAL 118 Cb -0.12 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 1yso s VAL 118 CO 0.03 0.34 -0.03 -0.51 0.00 0.00 0.00 175.10 174.93 1yso s ILE 119 N 0.38 3.88 0.44 2.22 1.10 -0.94 -1.71 121.20 126.57 1yso s ILE 119 Ca -0.09 -0.36 0.00 0.00 -0.51 0.00 0.00 60.65 59.70 1yso s ILE 119 Cb -0.13 -2.71 -0.01 0.00 0.15 0.00 0.00 42.46 39.76 1yso s ILE 119 CO 0.02 0.48 0.66 -1.00 -2.11 0.00 0.00 174.94 172.99 1yso s HIS 120 N 0.55 3.23 -1.28 3.50 3.76 0.43 -3.22 115.29 122.26 1yso s HIS 120 Ca -0.03 0.23 0.26 0.00 -0.15 0.00 0.00 55.06 55.37 1yso s HIS 120 Cb -0.14 -2.29 0.62 0.00 1.11 0.00 0.00 32.58 31.88 1yso s HIS 120 CO 0.03 -0.33 1.49 0.00 -0.85 0.00 0.00 174.74 175.07 1yso n ALA 121 N -2.06 3.35 -2.47 -1.40 0.00 -0.33 -4.44 120.51 113.17 1yso n ALA 121 Ca 0.01 -0.36 -0.22 0.00 0.00 0.00 0.00 53.44 52.86 1yso n ALA 121 Cb 0.58 -1.14 -0.10 0.00 0.00 0.00 0.00 19.45 18.79 1yso n ALA 121 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1yso s GLY 122 N -2.81 2.18 0.25 0.00 0.00 -0.25 -4.95 107.32 101.73 1yso s GLY 122 Ca 0.16 -1.89 -0.30 0.00 0.00 0.00 0.00 44.72 42.69 1yso s GLY 122 CO 0.63 -1.83 1.00 1.62 0.00 0.00 0.00 173.10 174.52 1yso s GLN 123 N -3.87 4.77 -0.11 2.90 0.74 -1.22 -1.21 119.66 121.66 1yso s GLN 123 Ca 0.34 1.61 -0.26 0.00 0.05 0.00 0.00 55.36 57.10 1yso s GLN 123 Cb 0.08 -3.25 -0.02 0.00 1.10 0.00 0.00 33.01 30.91 1yso s GLN 123 CO 0.15 0.39 0.84 0.34 -0.55 0.00 0.00 175.29 176.46 1yso s ASP 124 N -1.02 7.06 0.00 6.67 -1.08 -1.26 -4.05 116.67 122.99 1yso s ASP 124 Ca 0.43 1.30 0.18 0.00 -0.52 0.00 0.00 52.55 53.93 1yso s ASP 124 Cb -0.28 -2.47 0.98 0.00 -1.46 0.00 0.00 42.92 39.69 1yso s ASP 124 CO 0.35 -0.30 1.64 -0.90 0.52 0.00 0.00 175.17 176.48 1yso n ASP 125 N 4.59 0.26 -2.41 -0.34 5.68 0.05 -4.87 116.55 119.51 1yso n ASP 125 Ca 0.04 -1.50 -0.21 0.00 -0.50 0.00 0.00 54.79 52.62 1yso n ASP 125 Cb 0.50 -0.02 -0.01 0.00 -1.14 0.00 0.00 41.12 40.45 1yso n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1yso n LEU 126 N -0.60 -1.95 -0.18 -2.12 4.77 -1.26 -1.45 117.00 114.21 1yso n LEU 126 Ca 0.13 -0.02 -0.02 0.00 -0.03 0.00 0.00 56.01 56.07 1yso n LEU 126 Cb 0.10 -2.94 -0.01 0.00 -2.33 0.00 0.00 43.42 38.24 1yso n LEU 126 CO 0.10 -0.21 -0.02 0.61 -1.33 0.00 0.00 177.39 176.54 1yso n GLY 127 N -1.02 0.56 0.72 -0.72 0.00 -1.25 -3.54 105.19 99.94 1yso n GLY 127 Ca -0.24 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.49 1yso n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yso n LYS 128 N -2.45 1.75 0.00 1.61 5.02 -0.53 -4.67 118.16 118.89 1yso n LYS 128 Ca -0.02 -1.45 0.00 0.00 -2.02 0.00 0.00 58.31 54.82 1yso n LYS 128 Cb 0.14 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 1yso n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yso n GLY 129 N 1.38 -2.03 0.06 0.72 0.00 -1.26 -5.00 105.19 99.06 1yso n GLY 129 Ca 0.11 -1.46 -0.01 0.00 0.00 0.00 0.00 46.02 44.66 1yso n GLY 129 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1yso h ASP 130 N -0.37 -0.07 -2.70 1.61 3.32 -2.00 -3.47 116.42 112.75 1yso h ASP 130 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 1yso h ASP 130 Cb 0.00 0.02 0.23 0.00 0.22 0.00 0.00 39.33 39.80 1yso h ASP 130 CO 0.00 0.22 -1.13 0.35 -1.72 0.00 0.00 179.24 176.96 1yso n THR 131 N -3.72 0.00 -0.30 0.35 -2.24 -1.26 -4.79 114.28 102.32 1yso n THR 131 Ca -0.01 -0.27 0.06 0.00 -2.27 0.00 0.00 64.05 61.56 1yso n THR 131 Cb 0.03 -0.43 0.27 0.00 -2.10 0.00 0.00 70.33 68.10 1yso n THR 131 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1yso h GLU 132 N -1.49 0.93 -0.35 -0.78 4.81 -2.00 -1.62 114.58 114.08 1yso h GLU 132 Ca -0.45 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 58.76 1yso h GLU 132 Cb 1.31 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1yso h GLU 132 CO 0.31 0.62 0.24 1.49 -0.73 0.00 0.00 179.01 180.94 1yso h GLU 133 N 0.96 0.29 -0.23 1.92 4.57 -1.99 0.24 114.58 120.35 1yso h GLU 133 Ca 0.42 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.52 1yso h GLU 133 Cb 0.34 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1yso h GLU 133 CO -0.18 0.19 -0.10 1.03 -1.18 0.00 0.00 179.01 178.78 1yso h SER 134 N 0.30 0.34 0.26 1.04 0.87 -1.60 0.11 113.55 114.87 1yso h SER 134 Ca 0.15 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1yso h SER 134 Cb 0.22 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1yso h SER 134 CO -0.03 0.48 -0.07 0.18 -0.53 0.00 0.00 176.83 176.86 1yso n LEU 135 N -4.26 0.47 -0.07 2.23 4.77 0.05 -2.19 117.00 118.01 1yso n LEU 135 Ca 0.00 -0.03 -0.15 0.00 -0.03 0.00 0.00 56.01 55.80 1yso n LEU 135 Cb 0.27 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 1yso n LEU 135 CO 0.39 0.08 -0.95 0.29 -1.33 0.00 0.00 177.39 175.88 1yso n LYS 136 N -0.85 0.32 0.00 3.23 5.02 -0.85 -1.34 118.16 123.69 1yso n LYS 136 Ca 0.17 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1yso n LYS 136 Cb 0.25 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.22 1yso n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1yso n THR 137 N -3.74 0.00 -1.05 -0.18 -2.24 -0.03 -4.68 114.28 102.37 1yso n THR 137 Ca -0.27 -0.39 -0.02 0.00 -2.27 0.00 0.00 64.05 61.10 1yso n THR 137 Cb 0.66 0.93 -0.01 0.00 -2.10 0.00 0.00 70.33 69.82 1yso n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yso n GLY 138 N 1.06 0.52 3.92 3.38 0.00 -0.93 -3.56 105.19 109.58 1yso n GLY 138 Ca 0.00 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 1yso n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1yso n ASN 139 N 0.57 -4.21 0.00 1.61 3.02 -1.25 -0.77 115.26 114.24 1yso n ASN 139 Ca -0.02 -0.79 0.13 0.00 -0.03 0.00 0.00 54.58 53.88 1yso n ASN 139 Cb 0.10 -3.40 0.61 0.00 -0.61 0.00 0.00 39.78 36.48 1yso n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yso n ALA 140 N -4.39 2.28 0.00 5.41 0.00 -1.23 -4.72 120.51 117.86 1yso n ALA 140 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1yso n ALA 140 Cb 0.52 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1yso n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yso n GLY 141 N 1.21 -1.16 3.46 0.00 0.00 -1.26 -1.09 105.19 106.34 1yso n GLY 141 Ca 0.09 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 1yso n GLY 141 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1yso n PRO 142 N 0.00 -2.29 -3.92 1.61 -0.02 -1.26 -4.70 135.00 124.42 1yso n PRO 142 Ca 0.00 -0.64 -0.29 0.00 -2.02 0.00 0.00 63.50 60.55 1yso n PRO 142 Cb 0.00 -2.13 -0.13 0.00 -0.02 0.00 0.00 33.50 31.22 1yso n PRO 142 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1yso s ARG 143 N -4.31 2.30 0.46 -0.52 0.52 -1.26 -1.18 118.95 114.95 1yso s ARG 143 Ca 0.67 -3.09 0.18 0.00 -0.52 0.00 0.00 55.73 52.98 1yso s ARG 143 Cb -0.24 -3.39 1.09 0.00 0.52 0.00 0.00 34.95 32.92 1yso s ARG 143 CO 0.65 -1.22 1.98 -1.00 0.02 0.00 0.00 175.30 175.73 1yso h PRO 144 N 5.81 0.00 -3.40 3.54 0.13 -1.86 -3.44 132.00 132.76 1yso h PRO 144 Ca 0.06 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.10 1yso h PRO 144 Cb 0.80 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.77 1yso h PRO 144 CO 0.71 0.20 -0.27 0.00 -0.23 0.00 0.00 178.00 178.41 1yso s ALA 145 N -4.41 -0.60 0.18 -0.56 0.00 -1.24 -4.09 121.76 111.04 1yso s ALA 145 Ca -0.03 -0.11 -0.23 0.00 0.00 0.00 0.00 51.96 51.58 1yso s ALA 145 Cb 0.15 0.36 0.05 0.00 0.00 0.00 0.00 23.12 23.68 1yso s ALA 145 CO 0.67 -0.43 0.73 0.00 0.00 0.00 0.00 175.76 176.73 1yso s GLY 147 N -2.81 -0.54 0.17 0.00 0.00 -0.65 -1.33 107.32 102.16 1yso s GLY 147 Ca 0.07 0.93 -0.24 0.00 0.00 0.00 0.00 44.72 45.48 1yso s GLY 147 CO -0.03 0.60 0.76 0.14 0.00 0.00 0.00 173.10 174.57 1yso s VAL 148 N -2.04 4.41 -0.25 1.40 1.01 -1.26 -0.93 120.40 122.73 1yso s VAL 148 Ca -0.07 1.63 -0.27 0.00 0.00 0.00 0.00 61.98 63.27 1yso s VAL 148 Cb -0.01 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1yso s VAL 148 CO 0.02 0.49 0.93 -0.63 0.00 0.00 0.00 175.10 175.91 1yso s ILE 149 N -1.19 4.74 0.29 2.22 1.01 0.15 -4.40 121.20 124.01 1yso s ILE 149 Ca 0.36 1.72 0.11 0.00 0.00 0.00 0.00 60.65 62.84 1yso s ILE 149 Cb -0.22 -4.22 -0.05 0.00 0.01 0.00 0.00 42.46 37.97 1yso s ILE 149 CO 0.25 -0.18 -0.17 -0.83 0.00 0.00 0.00 174.94 174.01 1yso s GLY 150 N 1.35 1.95 0.33 6.18 0.00 -0.02 -0.80 107.32 116.31 1yso s GLY 150 Ca 0.39 -1.92 -0.26 0.00 0.00 0.00 0.00 44.72 42.92 1yso s GLY 150 CO 0.08 -1.98 1.01 1.08 0.00 0.00 0.00 173.10 173.29 1yso s LEU 151 N -3.53 4.35 0.00 0.66 1.43 -1.26 -0.85 118.68 119.48 1yso s LEU 151 Ca 0.30 2.00 0.04 0.00 -1.03 0.00 0.00 54.13 55.44 1yso s LEU 151 Cb -0.03 -3.95 -0.01 0.00 0.03 0.00 0.00 46.19 42.22 1yso s LEU 151 CO 0.15 -0.20 0.14 1.07 0.23 0.00 0.00 176.35 177.75 1yso n THR 152 N 0.57 0.00 0.10 5.49 5.66 -0.75 -4.83 114.28 120.52 1yso n THR 152 Ca 0.02 -1.34 0.01 0.00 -3.05 0.00 0.00 64.05 59.69 1yso n THR 152 Cb 0.49 0.63 0.01 0.00 -1.55 0.00 0.00 70.33 69.91 1yso n THR 152 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56