#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sdy s GLN 3 N 0.00 1.95 0.16 5.55 1.11 -1.26 -0.66 119.66 126.50 1sdy s GLN 3 Ca 0.00 -0.46 0.06 0.00 0.01 0.00 0.00 55.36 54.96 1sdy s GLN 3 Cb 0.00 -1.70 -0.04 0.00 -1.01 0.00 0.00 33.01 30.26 1sdy s GLN 3 CO 0.00 -0.08 -0.12 0.00 0.01 0.00 0.00 175.29 175.10 1sdy s ALA 4 N 1.03 1.60 0.07 6.09 0.00 -0.95 -0.51 121.76 129.10 1sdy s ALA 4 Ca -0.07 -1.48 -0.05 0.00 0.00 0.00 0.00 51.96 50.36 1sdy s ALA 4 Cb -0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 1sdy s ALA 4 CO -0.01 -0.01 0.09 0.54 0.00 0.00 0.00 175.76 176.37 1sdy s VAL 5 N -2.95 0.18 -0.03 0.00 0.11 0.30 0.07 120.40 118.08 1sdy s VAL 5 Ca 0.16 -1.46 -0.01 0.00 -2.93 0.00 0.00 61.98 57.74 1sdy s VAL 5 Cb -0.00 -1.42 0.03 0.00 -1.53 0.00 0.00 36.38 33.45 1sdy s VAL 5 CO 0.03 -0.80 0.03 0.00 -3.33 0.00 0.00 175.10 171.03 1sdy s ALA 6 N -3.89 0.25 -0.31 1.54 0.00 0.20 0.05 121.76 119.61 1sdy s ALA 6 Ca 0.06 0.19 -0.17 0.00 0.00 0.00 0.00 51.96 52.04 1sdy s ALA 6 Cb 0.06 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 1sdy s ALA 6 CO -0.10 -0.28 0.47 0.08 0.00 0.00 0.00 175.76 175.93 1sdy s VAL 7 N 1.56 5.07 -0.32 0.00 1.01 -1.26 -1.18 120.40 125.28 1sdy s VAL 7 Ca -0.03 0.48 -0.18 0.00 0.00 0.00 0.00 61.98 62.26 1sdy s VAL 7 Cb -0.13 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 1sdy s VAL 7 CO -0.03 -0.06 0.49 -0.76 0.00 0.00 0.00 175.10 174.74 1sdy s LEU 8 N 2.27 4.25 0.14 3.92 1.02 0.56 -4.15 118.68 126.70 1sdy s LEU 8 Ca 0.18 0.12 0.03 0.00 0.02 0.00 0.00 54.13 54.48 1sdy s LEU 8 Cb -0.16 -2.58 -0.04 0.00 0.02 0.00 0.00 46.19 43.43 1sdy s LEU 8 CO 0.12 -0.40 -0.08 -0.54 0.02 0.00 0.00 176.35 175.47 1sdy s LYS 9 N 2.33 1.03 0.00 1.70 -0.14 -0.80 -1.73 119.74 122.13 1sdy s LYS 9 Ca 0.19 -1.45 0.00 0.00 -1.36 0.00 0.00 55.97 53.35 1sdy s LYS 9 Cb -0.16 -0.48 0.00 0.00 -1.68 0.00 0.00 37.83 35.51 1sdy s LYS 9 CO 0.12 0.02 0.00 0.41 -0.76 0.00 0.00 175.35 175.14 1sdy n GLY 10 N -0.18 1.12 1.35 -3.33 0.00 -1.25 -1.08 105.19 101.82 1sdy n GLY 10 Ca -0.10 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 1sdy n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sdy n ASP 11 N -0.04 3.32 -0.37 1.61 8.00 -1.24 -4.61 116.55 123.22 1sdy n ASP 11 Ca 0.00 -3.78 0.02 0.00 0.71 0.00 0.00 54.79 51.73 1sdy n ASP 11 Cb 0.00 -0.43 0.02 0.00 -0.02 0.00 0.00 41.12 40.69 1sdy n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sdy n ALA 12 N -0.89 1.96 -0.97 2.24 0.00 -1.26 -4.98 120.51 116.61 1sdy n ALA 12 Ca 0.31 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1sdy n ALA 12 Cb 0.84 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1sdy n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sdy n GLY 13 N -0.27 0.23 3.85 0.00 0.00 -1.26 -4.99 105.19 102.75 1sdy n GLY 13 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1sdy n GLY 13 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sdy s VAL 14 N -1.50 5.31 0.11 1.61 -7.23 -1.26 -4.22 120.40 113.23 1sdy s VAL 14 Ca 0.00 0.47 -0.19 0.00 -1.81 0.00 0.00 61.98 60.45 1sdy s VAL 14 Cb 0.00 -3.53 0.05 0.00 0.56 0.00 0.00 36.38 33.45 1sdy s VAL 14 CO 0.00 0.59 0.46 -0.94 -0.31 0.00 0.00 175.10 174.90 1sdy s SER 15 N -0.95 -0.35 0.00 4.85 1.04 -0.09 -4.24 113.70 113.97 1sdy s SER 15 Ca 0.18 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1sdy s SER 15 Cb -0.14 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1sdy s SER 15 CO 0.07 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1sdy n GLY 16 N -0.08 -1.57 3.07 7.32 0.00 -0.71 -0.50 105.19 112.73 1sdy n GLY 16 Ca -0.17 -1.08 -0.28 0.00 0.00 0.00 0.00 46.02 44.49 1sdy n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sdy s VAL 17 N -2.70 1.48 -0.15 1.61 0.11 -0.96 0.21 120.40 120.00 1sdy s VAL 17 Ca 0.00 -0.66 0.01 0.00 -2.93 0.00 0.00 61.98 58.41 1sdy s VAL 17 Cb 0.00 -1.34 0.02 0.00 -1.53 0.00 0.00 36.38 33.53 1sdy s VAL 17 CO 0.00 0.44 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.33 1sdy s VAL 18 N 0.79 1.85 -0.11 2.04 1.01 -0.33 -2.08 120.40 123.57 1sdy s VAL 18 Ca -0.11 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 1sdy s VAL 18 Cb -0.16 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1sdy s VAL 18 CO 0.02 0.51 -0.03 -0.54 0.00 0.00 0.00 175.10 175.05 1sdy s LYS 19 N 1.12 3.20 0.06 2.72 1.02 -0.08 0.62 119.74 128.40 1sdy s LYS 19 Ca -0.01 -0.49 0.08 0.00 0.02 0.00 0.00 55.97 55.57 1sdy s LYS 19 Cb -0.14 -2.79 -0.03 0.00 -0.52 0.00 0.00 37.83 34.34 1sdy s LYS 19 CO -0.07 0.51 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.60 1sdy s PHE 20 N -0.37 2.47 -0.07 3.18 0.40 0.11 -1.60 117.98 122.11 1sdy s PHE 20 Ca 0.06 -0.31 -0.03 0.00 -0.60 0.00 0.00 56.93 56.06 1sdy s PHE 20 Cb -0.12 -1.41 0.04 0.00 0.51 0.00 0.00 43.02 42.03 1sdy s PHE 20 CO 0.02 0.24 0.14 -2.00 0.70 0.00 0.00 175.22 174.32 1sdy s GLU 21 N -1.52 0.07 -0.19 0.44 -6.30 -0.87 -2.23 118.70 108.10 1sdy s GLU 21 Ca 0.14 0.40 -0.04 0.00 -2.50 0.00 0.00 54.97 52.97 1sdy s GLU 21 Cb -0.10 -0.21 0.09 0.00 0.00 0.00 0.00 34.13 33.91 1sdy s GLU 21 CO 0.05 -0.20 0.25 -1.14 0.02 0.00 0.00 175.26 174.24 1sdy s GLN 22 N 1.40 0.20 0.20 4.30 0.74 0.16 -1.35 119.66 125.31 1sdy s GLN 22 Ca -0.07 0.36 -0.08 0.00 0.05 0.00 0.00 55.36 55.62 1sdy s GLN 22 Cb -0.12 -0.87 0.12 0.00 1.10 0.00 0.00 33.01 33.24 1sdy s GLN 22 CO -0.06 -0.58 1.70 0.00 -0.55 0.00 0.00 175.29 175.81 1sdy h ALA 23 N 8.29 0.93 -2.84 1.58 0.00 -1.83 0.32 119.26 125.72 1sdy h ALA 23 Ca -0.17 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1sdy h ALA 23 Cb 1.14 -0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.57 1sdy h ALA 23 CO 0.25 0.67 -0.03 -1.54 0.00 0.00 0.00 179.25 178.60 1sdy s SER 24 N -6.49 -0.19 0.12 0.00 1.04 -1.26 -4.52 113.70 102.40 1sdy s SER 24 Ca -0.12 -0.61 -0.25 0.00 0.48 0.00 0.00 55.95 55.45 1sdy s SER 24 Cb 0.15 0.57 -0.06 0.00 0.10 0.00 0.00 66.02 66.77 1sdy s SER 24 CO 0.85 -1.06 1.65 -0.08 0.98 0.00 0.00 173.24 175.58 1sdy h GLU 25 N 2.24 -0.33 -0.73 4.02 4.81 -1.92 -2.25 114.58 120.42 1sdy h GLU 25 Ca -0.28 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.95 1sdy h GLU 25 Cb 1.25 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 1sdy h GLU 25 CO 0.38 -0.22 0.37 0.66 -0.73 0.00 0.00 179.01 179.47 1sdy h SER 25 N -0.34 0.92 -4.17 1.04 4.64 -1.97 -3.45 113.55 110.22 1sdy h SER 25 Ca 0.05 -0.09 -0.52 0.00 -0.47 0.00 0.00 61.79 60.76 1sdy h SER 25 Cb 0.41 -0.23 0.13 0.00 -0.31 0.00 0.00 62.40 62.39 1sdy h SER 25 CO -0.17 0.76 0.40 -1.83 -0.87 0.00 0.00 176.83 175.12 1sdy s GLU 25 N -5.63 2.48 0.49 4.77 -1.05 -0.85 -5.02 118.70 113.89 1sdy s GLU 25 Ca -0.11 1.66 -0.20 0.00 -0.15 0.00 0.00 54.97 56.16 1sdy s GLU 25 Cb 0.17 -1.89 -0.08 0.00 -0.44 0.00 0.00 34.13 31.89 1sdy s GLU 25 CO 0.80 -1.55 1.07 -1.25 0.95 0.00 0.00 175.26 175.28 1sdy s PRO 26 N -3.87 3.72 -0.14 -4.83 0.04 -1.26 -4.82 135.00 123.85 1sdy s PRO 26 Ca 0.72 1.46 -0.16 0.00 0.04 0.00 0.00 61.00 63.06 1sdy s PRO 26 Cb -0.27 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 1sdy s PRO 26 CO 0.42 -0.52 0.38 0.99 0.04 0.00 0.00 177.00 178.31 1sdy s THR 27 N -1.88 5.25 -0.14 1.26 2.01 -0.02 -4.68 115.64 117.43 1sdy s THR 27 Ca 0.68 0.74 -0.16 0.00 0.31 0.00 0.00 61.69 63.26 1sdy s THR 27 Cb -0.19 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 1sdy s THR 27 CO 0.23 0.37 0.39 -0.89 -0.69 0.00 0.00 174.62 174.03 1sdy s THR 28 N 0.49 5.24 -0.14 -0.82 2.01 -0.46 -1.10 115.64 120.86 1sdy s THR 28 Ca 0.21 0.76 -0.02 0.00 0.31 0.00 0.00 61.69 62.95 1sdy s THR 28 Cb -0.14 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 1sdy s THR 28 CO 0.07 0.35 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.59 1sdy s VAL 29 N 0.61 3.63 -0.00 3.82 1.01 0.25 -2.06 120.40 127.67 1sdy s VAL 29 Ca 0.21 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.79 1sdy s VAL 29 Cb -0.14 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 1sdy s VAL 29 CO 0.07 0.52 -0.18 -0.94 0.00 0.00 0.00 175.10 174.57 1sdy s SER 30 N 0.21 2.13 0.16 3.32 1.04 -0.62 -0.75 113.70 119.19 1sdy s SER 30 Ca -0.04 -0.36 -0.10 0.00 0.48 0.00 0.00 55.95 55.93 1sdy s SER 30 Cb -0.14 -0.22 -0.00 0.00 0.10 0.00 0.00 66.02 65.75 1sdy s SER 30 CO 0.04 0.20 0.31 -0.72 0.98 0.00 0.00 173.24 174.04 1sdy s TYR 31 N -0.50 0.29 -0.19 5.02 -0.85 -0.04 -0.90 117.35 120.18 1sdy s TYR 31 Ca 0.07 -0.66 -0.05 0.00 -0.52 0.00 0.00 57.07 55.91 1sdy s TYR 31 Cb -0.07 0.01 0.10 0.00 0.38 0.00 0.00 41.96 42.37 1sdy s TYR 31 CO -0.00 -0.73 0.34 -2.00 -1.52 0.00 0.00 175.55 171.64 1sdy s GLU 32 N -3.94 0.26 -0.05 -3.49 2.12 -0.88 -1.93 118.70 110.79 1sdy s GLU 32 Ca 0.15 0.71 0.04 0.00 0.36 0.00 0.00 54.97 56.22 1sdy s GLU 32 Cb 0.03 -0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.23 1sdy s GLU 32 CO -0.02 -0.42 -0.15 0.42 -0.54 0.00 0.00 175.26 174.55 1sdy s ILE 33 N 2.50 1.29 0.35 -3.70 1.01 0.13 -2.28 121.20 120.51 1sdy s ILE 33 Ca 0.04 -0.62 0.09 0.00 0.00 0.00 0.00 60.65 60.16 1sdy s ILE 33 Cb -0.13 -1.13 -0.07 0.00 0.01 0.00 0.00 42.46 41.14 1sdy s ILE 33 CO -0.12 0.38 -0.07 0.00 0.00 0.00 0.00 174.94 175.13 1sdy s ALA 34 N 0.19 2.96 0.00 9.38 0.00 0.34 -0.58 121.76 134.05 1sdy s ALA 34 Ca -0.06 -2.13 0.00 0.00 0.00 0.00 0.00 51.96 49.77 1sdy s ALA 34 Cb -0.12 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1sdy s ALA 34 CO 0.02 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.21 1sdy n GLY 35 N -0.82 0.66 3.97 0.00 0.00 -1.23 -0.91 105.19 106.86 1sdy n GLY 35 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1sdy n GLY 35 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sdy s ASN 35 N -2.02 4.59 0.63 1.61 0.01 -0.85 -4.47 114.94 114.43 1sdy s ASN 35 Ca 0.00 -0.07 -0.18 0.00 -0.71 0.00 0.00 52.86 51.90 1sdy s ASN 35 Cb 0.00 -0.47 -0.02 0.00 0.41 0.00 0.00 41.25 41.18 1sdy s ASN 35 CO 0.00 -1.69 1.19 -0.44 -1.51 0.00 0.00 177.10 174.66 1sdy s SER 36 N -4.62 4.99 0.56 -1.22 0.01 -1.26 -4.46 113.70 107.69 1sdy s SER 36 Ca 0.63 2.33 -0.17 0.00 1.31 0.00 0.00 55.95 60.05 1sdy s SER 36 Cb -0.08 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.51 1sdy s SER 36 CO 0.43 -1.72 1.06 -2.16 0.41 0.00 0.00 173.24 171.26 1sdy s PRO 37 N -3.54 3.45 -1.24 12.44 0.04 -1.26 -4.25 135.00 140.64 1sdy s PRO 37 Ca 0.75 1.27 -0.23 0.00 0.04 0.00 0.00 61.00 62.84 1sdy s PRO 37 Cb -0.29 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.22 1sdy s PRO 37 CO 0.36 -0.71 0.63 0.09 0.04 0.00 0.00 177.00 177.41 1sdy n ASN 38 N -1.70 -3.66 -1.81 6.66 3.02 -0.44 -4.93 115.26 112.40 1sdy n ASN 38 Ca 0.09 -1.17 -0.07 0.00 -0.03 0.00 0.00 54.58 53.41 1sdy n ASN 38 Cb 0.53 -2.43 -0.02 0.00 -0.61 0.00 0.00 39.78 37.24 1sdy n ASN 38 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sdy n ALA 39 N -4.64 0.09 -3.48 5.41 0.00 -0.87 -4.91 120.51 112.12 1sdy n ALA 39 Ca -0.15 -0.69 -0.23 0.00 0.00 0.00 0.00 53.44 52.37 1sdy n ALA 39 Cb 0.60 0.56 -0.16 0.00 0.00 0.00 0.00 19.45 20.44 1sdy n ALA 39 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1sdy s GLU 40 N -2.42 1.47 0.01 0.00 2.02 -1.26 0.13 118.70 118.65 1sdy s GLU 40 Ca 0.13 -0.34 0.03 0.00 0.02 0.00 0.00 54.97 54.82 1sdy s GLU 40 Cb 0.00 -1.25 -0.01 0.00 0.10 0.00 0.00 34.13 32.97 1sdy s GLU 40 CO 0.10 0.01 -0.11 1.03 0.02 0.00 0.00 175.26 176.31 1sdy s ARG 41 N 0.69 0.80 0.31 1.61 1.81 -0.15 -3.38 118.95 120.64 1sdy s ARG 41 Ca -0.13 -0.48 -0.29 0.00 -1.72 0.00 0.00 55.73 53.10 1sdy s ARG 41 Cb -0.15 -0.77 -0.10 0.00 -0.45 0.00 0.00 34.95 33.48 1sdy s ARG 41 CO 0.03 0.20 1.32 0.20 -0.68 0.00 0.00 175.30 176.37 1sdy s GLY 42 N -0.56 2.86 -0.12 -3.53 0.00 0.11 0.56 107.32 106.64 1sdy s GLY 42 Ca 0.02 1.26 -0.04 0.00 0.00 0.00 0.00 44.72 45.96 1sdy s GLY 42 CO 0.00 1.97 0.08 -0.12 0.00 0.00 0.00 173.10 175.03 1sdy s PHE 43 N -0.88 0.16 0.14 1.90 5.36 0.17 -1.31 117.98 123.52 1sdy s PHE 43 Ca 0.51 -0.10 -0.02 0.00 -0.96 0.00 0.00 56.93 56.37 1sdy s PHE 43 Cb -0.40 -0.61 -0.04 0.00 -0.34 0.00 0.00 43.02 41.63 1sdy s PHE 43 CO 0.50 -0.39 0.08 -1.01 -1.46 0.00 0.00 175.22 172.95 1sdy s HIS 44 N 2.15 0.88 -0.25 10.12 3.76 -0.73 -1.51 115.29 129.71 1sdy s HIS 44 Ca 0.03 -1.23 -0.06 0.00 -0.15 0.00 0.00 55.06 53.65 1sdy s HIS 44 Cb -0.14 -0.47 -0.01 0.00 1.11 0.00 0.00 32.58 33.07 1sdy s HIS 44 CO -0.07 -0.55 0.03 0.42 -0.85 0.00 0.00 174.74 173.72 1sdy s ILE 45 N -4.06 3.87 0.18 0.60 1.01 -0.38 -0.04 121.20 122.36 1sdy s ILE 45 Ca 0.26 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.53 1sdy s ILE 45 Cb 0.07 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 1sdy s ILE 45 CO 0.03 0.32 0.32 -1.00 0.00 0.00 0.00 174.94 174.61 1sdy s HIS 46 N 1.54 3.48 0.11 3.97 3.76 -0.44 -0.78 115.29 126.93 1sdy s HIS 46 Ca 0.05 0.14 -0.19 0.00 -0.15 0.00 0.00 55.06 54.91 1sdy s HIS 46 Cb -0.15 -1.69 -0.06 0.00 1.11 0.00 0.00 32.58 31.79 1sdy s HIS 46 CO 0.01 0.47 1.71 1.49 -0.85 0.00 0.00 174.74 177.57 1sdy h GLU 47 N 1.93 0.33 -5.84 1.40 4.81 -0.80 -2.89 114.58 113.51 1sdy h GLU 47 Ca -0.49 -0.04 -0.64 0.00 -0.13 0.00 0.00 59.36 58.07 1sdy h GLU 47 Cb 1.20 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.46 1sdy h GLU 47 CO 0.67 0.30 -0.34 -0.06 -0.73 0.00 0.00 179.01 178.85 1sdy s PHE 48 N -5.87 3.66 -0.69 0.92 0.08 -0.10 -4.56 117.98 111.42 1sdy s PHE 48 Ca -0.13 0.76 -0.02 0.00 0.12 0.00 0.00 56.93 57.66 1sdy s PHE 48 Cb 0.08 -2.12 0.35 0.00 -0.57 0.00 0.00 43.02 40.77 1sdy s PHE 48 CO 0.71 0.69 2.11 0.41 -0.10 0.00 0.00 175.22 179.03 1sdy n GLY 49 N 1.85 5.43 3.43 4.36 0.00 -1.01 -3.58 105.19 115.67 1sdy n GLY 49 Ca -0.17 -2.22 -0.44 0.00 0.00 0.00 0.00 46.02 43.20 1sdy n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sdy s ASP 50 N -1.14 6.14 -0.31 1.61 -1.08 -1.26 -4.93 116.67 115.71 1sdy s ASP 50 Ca 0.56 -1.05 0.09 0.00 -0.52 0.00 0.00 52.55 51.63 1sdy s ASP 50 Cb 0.45 -2.18 0.55 0.00 -1.46 0.00 0.00 42.92 40.28 1sdy s ASP 50 CO -0.19 -0.57 1.56 0.00 0.52 0.00 0.00 175.17 176.50 1sdy n ALA 51 N 5.28 4.37 0.26 3.66 0.00 -1.26 -3.68 120.51 129.13 1sdy n ALA 51 Ca -0.11 -2.93 0.14 0.00 0.00 0.00 0.00 53.44 50.54 1sdy n ALA 51 Cb 0.46 -0.89 0.62 0.00 0.00 0.00 0.00 19.45 19.63 1sdy n ALA 51 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1sdy h THR 52 N 1.22 0.26 -2.12 0.00 1.35 -1.92 -3.25 112.91 108.44 1sdy h THR 52 Ca 0.27 -0.72 -0.57 0.00 -0.55 0.00 0.00 66.41 64.83 1sdy h THR 52 Cb 1.89 1.58 -0.41 0.00 -1.73 0.00 0.00 68.15 69.48 1sdy h THR 52 CO 0.52 0.09 -0.83 -3.20 -0.25 0.00 0.00 175.52 171.85 1sdy n ASN 53 N -3.25 2.42 0.00 5.36 5.15 -1.26 -5.04 115.26 118.63 1sdy n ASN 53 Ca 0.00 -3.19 0.00 0.00 -0.60 0.00 0.00 54.58 50.79 1sdy n ASN 53 Cb 0.34 -0.64 0.00 0.00 -0.53 0.00 0.00 39.78 38.95 1sdy n ASN 53 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sdy n GLY 54 N 0.82 2.70 0.13 8.20 0.00 -1.23 -2.06 105.19 113.75 1sdy n GLY 54 Ca 0.27 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1sdy n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdy h VAL 56 N 0.00 1.08 0.00 0.00 2.07 -1.77 -2.49 116.25 115.15 1sdy h VAL 56 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1sdy h VAL 56 Cb 0.92 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1sdy h VAL 56 CO 0.00 0.08 0.00 -1.54 0.02 0.00 0.00 177.57 176.13 1sdy n SER 57 N -4.88 0.00 0.00 0.57 3.41 -0.99 -3.00 113.62 108.73 1sdy n SER 57 Ca -0.02 -0.31 0.09 0.00 -0.26 0.00 0.00 58.87 58.37 1sdy n SER 57 Cb 0.03 -0.08 0.38 0.00 -0.26 0.00 0.00 64.21 64.28 1sdy n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sdy n ALA 58 N -1.08 1.82 -0.46 7.33 0.00 -0.94 -4.39 120.51 122.79 1sdy n ALA 58 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1sdy n ALA 58 Cb 0.07 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1sdy n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sdy n GLY 59 N 0.35 -0.16 0.58 0.00 0.00 -1.16 -0.92 105.19 103.88 1sdy n GLY 59 Ca 0.04 -1.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.00 1sdy n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sdy n PRO 60 N 0.00 0.17 -2.36 1.61 -0.04 -1.26 -4.66 135.00 128.46 1sdy n PRO 60 Ca 0.00 -0.36 -0.41 0.00 -0.04 0.00 0.00 63.50 62.68 1sdy n PRO 60 Cb 0.00 -0.15 -0.03 0.00 -0.04 0.00 0.00 33.50 33.28 1sdy n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1sdy s HIS 61 N -0.83 3.41 0.11 0.54 3.76 -1.26 -0.76 115.29 120.26 1sdy s HIS 61 Ca 0.11 1.34 -0.32 0.00 -0.15 0.00 0.00 55.06 56.04 1sdy s HIS 61 Cb -0.00 -3.46 -0.11 0.00 1.11 0.00 0.00 32.58 30.12 1sdy s HIS 61 CO 0.07 -1.36 1.82 0.34 -0.85 0.00 0.00 174.74 174.76 1sdy n PHE 62 N 3.00 2.56 -3.07 1.40 7.35 0.04 -4.54 117.46 124.20 1sdy n PHE 62 Ca 0.06 -0.09 -0.18 0.00 -0.76 0.00 0.00 57.45 56.48 1sdy n PHE 62 Cb 0.45 -2.70 -0.02 0.00 0.35 0.00 0.00 39.48 37.55 1sdy n PHE 62 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1sdy n ASN 63 N 5.49 -0.42 0.28 -2.13 4.05 -1.26 -1.44 115.26 119.83 1sdy n ASN 63 Ca 0.18 -3.00 0.14 0.00 0.45 0.00 0.00 54.58 52.36 1sdy n ASN 63 Cb 0.36 0.06 0.85 0.00 1.23 0.00 0.00 39.78 42.27 1sdy n ASN 63 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1sdy h PRO 64 N 3.59 0.00 -0.37 1.20 0.13 -1.99 -1.78 132.00 132.78 1sdy h PRO 64 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1sdy h PRO 64 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1sdy h PRO 64 CO 0.41 0.05 0.00 1.19 -0.23 0.00 0.00 178.00 179.43 1sdy n PHE 65 N -3.70 0.49 -3.68 1.56 3.72 -1.26 -4.95 117.46 109.64 1sdy n PHE 65 Ca -0.02 -0.24 -0.30 0.00 -0.05 0.00 0.00 57.45 56.84 1sdy n PHE 65 Cb 0.15 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.73 1sdy n PHE 65 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1sdy n LYS 66 N 0.78 -1.15 -4.75 -1.08 5.02 -0.67 -5.01 118.16 111.30 1sdy n LYS 66 Ca 0.16 0.55 -0.33 0.00 -2.02 0.00 0.00 58.31 56.67 1sdy n LYS 66 Cb 0.40 -3.87 -0.07 0.00 -0.02 0.00 0.00 35.03 31.47 1sdy n LYS 66 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1sdy n LYS 67 N -3.86 0.71 -2.99 1.97 5.02 -1.26 -5.12 118.16 112.62 1sdy n LYS 67 Ca -0.11 -3.82 -0.21 0.00 -2.02 0.00 0.00 58.31 52.15 1sdy n LYS 67 Cb 0.59 1.12 0.01 0.00 -0.02 0.00 0.00 35.03 36.73 1sdy n LYS 67 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1sdy s THR 68 N -2.92 3.64 0.45 -0.18 -4.23 -1.26 -4.73 115.64 106.40 1sdy s THR 68 Ca 0.02 -0.66 -0.25 0.00 -1.18 0.00 0.00 61.69 59.63 1sdy s THR 68 Cb 0.00 -3.32 -0.08 0.00 1.34 0.00 0.00 72.50 70.44 1sdy s THR 68 CO 0.01 -0.20 1.33 -2.28 -0.54 0.00 0.00 174.62 172.94 1sdy s HIS 69 N -2.52 2.62 0.00 3.99 2.46 -0.15 -2.90 115.29 118.78 1sdy s HIS 69 Ca 0.50 1.38 0.00 0.00 0.47 0.00 0.00 55.06 57.41 1sdy s HIS 69 Cb -0.10 -3.73 0.00 0.00 -0.13 0.00 0.00 32.58 28.62 1sdy s HIS 69 CO 0.36 -2.42 0.00 0.41 -2.47 0.00 0.00 174.74 170.62 1sdy n GLY 70 N 0.63 1.93 3.89 1.59 0.00 -1.26 -4.38 105.19 107.58 1sdy n GLY 70 Ca 0.06 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 1sdy n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdy s ALA 71 N -1.00 3.47 0.56 4.61 0.00 -1.26 -4.70 121.76 123.44 1sdy s ALA 71 Ca 0.00 -0.34 0.25 0.00 0.00 0.00 0.00 51.96 51.86 1sdy s ALA 71 Cb 0.00 -2.53 1.54 0.00 0.00 0.00 0.00 23.12 22.13 1sdy s ALA 71 CO 0.00 0.13 2.13 -1.35 0.00 0.00 0.00 175.76 176.67 1sdy h PRO 72 N 1.53 0.00 -0.27 0.00 0.11 -1.90 0.36 132.00 131.83 1sdy h PRO 72 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1sdy h PRO 72 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1sdy h PRO 72 CO 0.65 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.69 1sdy n THR 73 N -4.11 0.35 -2.69 -1.15 -2.24 -1.26 -4.91 114.28 98.26 1sdy n THR 73 Ca 0.01 -0.51 -0.29 0.00 -2.27 0.00 0.00 64.05 60.98 1sdy n THR 73 Cb 0.26 0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 69.07 1sdy n THR 73 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1sdy s ASP 74 N -1.49 6.40 0.00 3.42 1.01 0.11 -5.00 116.67 121.12 1sdy s ASP 74 Ca 0.34 1.08 -0.05 0.00 0.71 0.00 0.00 52.55 54.63 1sdy s ASP 74 Cb 0.19 -2.31 -0.29 0.00 1.01 0.00 0.00 42.92 41.53 1sdy s ASP 74 CO 0.28 -0.51 0.86 -0.33 0.21 0.00 0.00 175.17 175.68 1sdy h GLU 75 N 0.73 0.29 -5.34 8.23 5.08 -1.91 -3.41 114.58 118.26 1sdy h GLU 75 Ca -0.47 -0.50 -0.64 0.00 -1.00 0.00 0.00 59.36 56.76 1sdy h GLU 75 Cb 1.19 0.19 -0.14 0.00 0.50 0.00 0.00 28.75 30.49 1sdy h GLU 75 CO 0.63 1.17 0.02 0.08 -1.00 0.00 0.00 179.01 179.91 1sdy s VAL 76 N -2.61 4.98 -0.12 3.13 1.01 -1.26 -4.97 120.40 120.56 1sdy s VAL 76 Ca -0.10 0.52 -0.33 0.00 0.00 0.00 0.00 61.98 62.07 1sdy s VAL 76 Cb 0.06 -3.98 0.13 0.00 0.00 0.00 0.00 36.38 32.59 1sdy s VAL 76 CO 0.86 -0.19 1.12 0.00 0.00 0.00 0.00 175.10 176.89 1sdy s ARG 77 N 2.48 0.48 0.59 2.72 1.70 -1.15 -4.17 118.95 121.60 1sdy s ARG 77 Ca 0.21 -0.19 -0.15 0.00 -0.47 0.00 0.00 55.73 55.13 1sdy s ARG 77 Cb -0.15 0.21 -0.04 0.00 -0.57 0.00 0.00 34.95 34.40 1sdy s ARG 77 CO 0.13 -0.21 1.04 -1.01 -1.08 0.00 0.00 175.30 174.17 1sdy s HIS 78 N -2.63 3.11 0.35 5.89 3.76 -1.14 -4.73 115.29 119.89 1sdy s HIS 78 Ca 0.09 1.49 0.08 0.00 -0.15 0.00 0.00 55.06 56.56 1sdy s HIS 78 Cb -0.01 -2.94 0.64 0.00 1.11 0.00 0.00 32.58 31.38 1sdy s HIS 78 CO -0.06 -0.98 1.82 -0.39 -0.85 0.00 0.00 174.74 174.28 1sdy h VAL 79 N 0.36 1.23 0.00 -0.90 -1.51 -1.92 -2.58 116.25 110.94 1sdy h VAL 79 Ca -0.46 -1.10 0.00 0.00 -1.23 0.00 0.00 66.70 63.91 1sdy h VAL 79 Cb 1.21 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 1sdy h VAL 79 CO 0.58 0.33 0.00 0.61 -1.23 0.00 0.00 177.57 177.87 1sdy n GLY 80 N -0.58 -1.27 3.56 5.19 0.00 -0.52 -4.66 105.19 106.91 1sdy n GLY 80 Ca -0.01 0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1sdy n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sdy s ASP 81 N -4.01 5.06 -0.09 1.61 1.01 -0.97 -1.25 116.67 118.02 1sdy s ASP 81 Ca 0.06 0.95 0.14 0.00 0.71 0.00 0.00 52.55 54.41 1sdy s ASP 81 Cb 0.10 -2.52 0.47 0.00 1.01 0.00 0.00 42.92 41.99 1sdy s ASP 81 CO 0.39 -2.42 1.39 0.23 0.21 0.00 0.00 175.17 174.97 1sdy n MET 82 N 8.95 3.07 0.00 8.23 2.81 -0.57 -4.16 117.12 135.46 1sdy n MET 82 Ca 0.28 -2.53 0.00 0.00 -1.81 0.00 0.00 57.70 53.64 1sdy n MET 82 Cb 0.52 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 1sdy n MET 82 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sdy n GLY 83 N 0.22 2.72 3.78 3.03 0.00 -1.20 -4.73 105.19 109.00 1sdy n GLY 83 Ca 0.18 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1sdy n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sdy s ASN 84 N -4.00 5.65 -0.04 1.61 0.01 -1.26 0.43 114.94 117.34 1sdy s ASN 84 Ca 0.00 0.12 -0.07 0.00 -0.71 0.00 0.00 52.86 52.20 1sdy s ASN 84 Cb 0.00 -1.60 -0.04 0.00 0.41 0.00 0.00 41.25 40.01 1sdy s ASN 84 CO 0.00 0.25 0.21 0.68 -1.51 0.00 0.00 177.10 176.74 1sdy s VAL 85 N -1.23 5.38 -0.19 1.60 -7.23 0.19 -4.82 120.40 114.10 1sdy s VAL 85 Ca 0.24 0.17 -0.18 0.00 -1.81 0.00 0.00 61.98 60.40 1sdy s VAL 85 Cb -0.12 -3.51 -0.03 0.00 0.56 0.00 0.00 36.38 33.27 1sdy s VAL 85 CO 0.15 0.47 0.48 -0.54 -0.31 0.00 0.00 175.10 175.35 1sdy s LYS 86 N -1.48 4.20 0.04 4.82 1.02 -1.26 -0.98 119.74 126.11 1sdy s LYS 86 Ca 0.23 0.36 -0.09 0.00 0.02 0.00 0.00 55.97 56.48 1sdy s LYS 86 Cb -0.13 -3.54 -0.05 0.00 -0.52 0.00 0.00 37.83 33.58 1sdy s LYS 86 CO 0.12 -0.09 0.35 0.95 -0.92 0.00 0.00 175.35 175.76 1sdy s THR 87 N 1.44 5.17 0.00 2.17 -4.23 0.36 -4.44 115.64 116.11 1sdy s THR 87 Ca 0.23 0.39 0.00 0.00 -1.18 0.00 0.00 61.69 61.12 1sdy s THR 87 Cb -0.15 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.07 1sdy s THR 87 CO 0.09 0.35 0.00 -0.90 -0.54 0.00 0.00 174.62 173.62 1sdy n ASP 88 N 1.09 0.00 0.30 3.99 5.68 0.14 -2.05 116.55 125.70 1sdy n ASP 88 Ca -0.10 -0.98 0.20 0.00 -0.50 0.00 0.00 54.79 53.41 1sdy n ASP 88 Cb 0.53 0.00 0.96 0.00 -1.14 0.00 0.00 41.12 41.46 1sdy n ASP 88 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1sdy h GLU 89 N 0.00 0.00 -0.36 0.11 3.07 -1.93 0.06 114.58 115.53 1sdy h GLU 89 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1sdy h GLU 89 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1sdy h GLU 89 CO 0.00 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.70 1sdy n ASN 90 N -3.04 3.20 0.00 1.42 3.02 -1.26 -4.82 115.26 113.77 1sdy n ASN 90 Ca -0.01 -1.92 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 1sdy n ASN 90 Cb 0.18 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1sdy n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sdy n GLY 91 N 1.21 0.58 3.85 7.41 0.00 -0.12 -4.73 105.19 113.39 1sdy n GLY 91 Ca 0.17 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1sdy n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sdy s VAL 92 N -2.00 5.23 -0.22 1.61 1.01 -1.26 -2.01 120.40 122.76 1sdy s VAL 92 Ca 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1sdy s VAL 92 Cb 0.00 -3.35 0.04 0.00 0.00 0.00 0.00 36.38 33.07 1sdy s VAL 92 CO 0.00 0.47 -0.15 0.00 0.00 0.00 0.00 175.10 175.42 1sdy s ALA 93 N -1.15 2.38 -0.06 5.51 0.00 0.25 0.27 121.76 128.96 1sdy s ALA 93 Ca 0.21 -1.44 -0.01 0.00 0.00 0.00 0.00 51.96 50.71 1sdy s ALA 93 Cb -0.12 -1.36 0.03 0.00 0.00 0.00 0.00 23.12 21.67 1sdy s ALA 93 CO 0.11 -0.76 0.02 0.21 0.00 0.00 0.00 175.76 175.33 1sdy s LYS 94 N 1.23 0.44 0.00 0.00 2.20 -1.26 0.20 119.74 122.55 1sdy s LYS 94 Ca -0.02 0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 1sdy s LYS 94 Cb -0.16 -0.86 0.00 0.00 -1.51 0.00 0.00 37.83 35.30 1sdy s LYS 94 CO -0.09 -0.31 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 1sdy n GLY 95 N 5.18 0.96 3.50 5.54 0.00 -0.81 -5.00 105.19 114.55 1sdy n GLY 95 Ca -0.06 -0.86 -0.16 0.00 0.00 0.00 0.00 46.02 44.94 1sdy n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sdy s SER 96 N -0.83 -0.63 0.10 1.61 0.01 -1.26 -0.86 113.70 111.84 1sdy s SER 96 Ca 0.00 0.54 -0.26 0.00 1.31 0.00 0.00 55.95 57.54 1sdy s SER 96 Cb 0.00 0.55 0.08 0.00 0.21 0.00 0.00 66.02 66.86 1sdy s SER 96 CO 0.00 -0.69 0.80 0.72 0.41 0.00 0.00 173.24 174.49 1sdy s PHE 97 N -1.79 -0.35 -0.10 2.43 -0.12 0.08 -4.99 117.98 113.14 1sdy s PHE 97 Ca -0.08 0.13 0.00 0.00 -0.05 0.00 0.00 56.93 56.93 1sdy s PHE 97 Cb -0.00 0.58 -0.02 0.00 -0.63 0.00 0.00 43.02 42.94 1sdy s PHE 97 CO 0.04 -0.74 -0.10 0.15 -0.05 0.00 0.00 175.22 174.52 1sdy s LYS 98 N -3.40 3.05 0.01 1.99 1.02 -1.26 0.87 119.74 122.02 1sdy s LYS 98 Ca 0.06 -0.61 0.04 0.00 0.02 0.00 0.00 55.97 55.47 1sdy s LYS 98 Cb -0.02 -2.62 -0.01 0.00 -0.52 0.00 0.00 37.83 34.67 1sdy s LYS 98 CO -0.07 0.45 -0.11 0.34 -0.92 0.00 0.00 175.35 175.04 1sdy s ASP 99 N -0.24 1.29 -0.01 2.83 2.15 -0.26 -4.96 116.67 117.47 1sdy s ASP 99 Ca 0.02 -0.30 0.22 0.00 0.43 0.00 0.00 52.55 52.92 1sdy s ASP 99 Cb -0.13 -0.11 -0.27 0.00 -0.30 0.00 0.00 42.92 42.11 1sdy s ASP 99 CO 0.03 0.07 0.70 -1.20 -0.17 0.00 0.00 175.17 174.59 1sdy n SER 100 N 2.42 0.48 0.03 -0.34 7.64 -1.26 -0.84 113.62 121.76 1sdy n SER 100 Ca -0.16 -0.46 -0.18 0.00 1.01 0.00 0.00 58.87 59.08 1sdy n SER 100 Cb 0.56 1.49 -0.14 0.00 -1.01 0.00 0.00 64.21 65.10 1sdy n SER 100 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1sdy h LEU 101 N 0.00 0.39 -9.15 -3.43 3.38 -1.97 -3.45 115.31 101.08 1sdy h LEU 101 Ca 0.00 -0.68 -0.56 0.00 0.09 0.00 0.00 57.88 56.72 1sdy h LEU 101 Cb 0.76 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1sdy h LEU 101 CO 0.00 1.59 0.98 -0.63 0.09 0.00 0.00 178.44 180.47 1sdy s ILE 102 N -2.59 4.04 0.19 1.22 1.01 -1.26 -4.99 121.20 118.83 1sdy s ILE 102 Ca -0.14 1.24 0.08 0.00 0.00 0.00 0.00 60.65 61.82 1sdy s ILE 102 Cb 0.07 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 1sdy s ILE 102 CO 0.82 -0.16 -0.15 -0.54 0.00 0.00 0.00 174.94 174.91 1sdy s LYS 103 N 3.81 1.30 -0.01 2.79 -0.14 -1.26 -4.00 119.74 122.22 1sdy s LYS 103 Ca 0.61 -1.55 0.12 0.00 -1.36 0.00 0.00 55.97 53.79 1sdy s LYS 103 Cb -0.24 -1.11 -0.18 0.00 -1.68 0.00 0.00 37.83 34.62 1sdy s LYS 103 CO 0.20 0.19 0.31 1.28 -0.76 0.00 0.00 175.35 176.57 1sdy n LEU 104 N -0.27 0.10 -4.32 3.17 4.32 -1.26 -0.45 117.00 118.29 1sdy n LEU 104 Ca -0.09 -0.09 -0.28 0.00 -0.02 0.00 0.00 56.01 55.53 1sdy n LEU 104 Cb 0.60 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 42.26 1sdy n LEU 104 CO 0.34 0.02 -0.55 -0.63 -1.22 0.00 0.00 177.39 175.35 1sdy s ILE 105 N -2.72 1.98 0.00 -0.08 1.01 -1.26 -4.70 121.20 115.43 1sdy s ILE 105 Ca -0.03 -1.42 0.00 0.00 0.00 0.00 0.00 60.65 59.20 1sdy s ILE 105 Cb 0.08 -1.72 0.00 0.00 0.01 0.00 0.00 42.46 40.83 1sdy s ILE 105 CO 0.50 0.22 0.00 0.61 0.00 0.00 0.00 174.94 176.28 1sdy n GLY 106 N 1.57 1.46 0.34 6.18 0.00 -1.26 -4.43 105.19 109.05 1sdy n GLY 106 Ca -0.17 -2.07 0.23 0.00 0.00 0.00 0.00 46.02 44.00 1sdy n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sdy h PRO 107 N 0.00 0.00 -0.55 1.61 0.13 -2.00 -1.73 132.00 129.45 1sdy h PRO 107 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 1sdy h PRO 107 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 1sdy h PRO 107 CO 0.00 0.00 0.13 0.25 -0.23 0.00 0.00 178.00 178.15 1sdy n THR 108 N -3.08 2.71 -1.74 1.56 -2.24 -1.26 -5.03 114.28 105.19 1sdy n THR 108 Ca -0.03 -1.83 -0.41 0.00 -2.27 0.00 0.00 64.05 59.51 1sdy n THR 108 Cb 0.09 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1sdy n THR 108 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1sdy n SER 109 N -0.30 3.31 -0.36 3.42 2.88 -0.65 -4.39 113.62 117.52 1sdy n SER 109 Ca 0.34 1.19 0.13 0.00 -1.33 0.00 0.00 58.87 59.19 1sdy n SER 109 Cb 1.20 -1.57 0.30 0.00 -0.75 0.00 0.00 64.21 63.39 1sdy n SER 109 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1sdy n VAL 110 N 0.21 0.00 -1.73 2.46 0.24 0.40 -4.92 118.33 114.99 1sdy n VAL 110 Ca 0.03 -0.19 -0.42 0.00 -2.04 0.00 0.00 64.34 61.73 1sdy n VAL 110 Cb 0.39 0.64 -0.02 0.00 -1.47 0.00 0.00 33.84 33.38 1sdy n VAL 110 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1sdy n VAL 111 N -0.33 0.70 -0.78 3.34 0.31 -1.26 -0.92 118.33 119.39 1sdy n VAL 111 Ca 0.12 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1sdy n VAL 111 Cb 0.39 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 1sdy n VAL 111 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sdy n GLY 112 N 2.71 0.82 0.94 2.92 0.00 -0.57 -5.01 105.19 107.00 1sdy n GLY 112 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 1sdy n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sdy n ARG 113 N -2.20 0.98 -4.65 1.61 1.74 -0.09 -2.40 116.66 111.65 1sdy n ARG 113 Ca 0.00 -0.77 -0.29 0.00 -0.77 0.00 0.00 57.85 56.02 1sdy n ARG 113 Cb 0.00 -0.03 -0.14 0.00 -1.02 0.00 0.00 32.46 31.27 1sdy n ARG 113 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1sdy s SER 114 N -1.85 3.17 -0.14 0.55 0.01 -1.09 0.11 113.70 114.45 1sdy s SER 114 Ca 0.13 -0.66 -0.09 0.00 1.31 0.00 0.00 55.95 56.64 1sdy s SER 114 Cb -0.01 -0.25 -0.05 0.00 0.21 0.00 0.00 66.02 65.93 1sdy s SER 114 CO 0.08 0.21 0.18 -0.69 0.41 0.00 0.00 173.24 173.43 1sdy s VAL 115 N -0.93 5.41 -0.15 3.43 1.01 0.10 -1.33 120.40 127.95 1sdy s VAL 115 Ca 0.12 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.41 1sdy s VAL 115 Cb -0.10 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1sdy s VAL 115 CO 0.04 0.53 -0.19 0.54 0.00 0.00 0.00 175.10 176.02 1sdy s VAL 116 N -0.41 2.34 -0.33 2.92 0.11 0.94 -1.10 120.40 124.87 1sdy s VAL 116 Ca 0.14 -0.88 -0.09 0.00 -2.93 0.00 0.00 61.98 58.21 1sdy s VAL 116 Cb -0.12 -1.96 0.01 0.00 -1.53 0.00 0.00 36.38 32.78 1sdy s VAL 116 CO 0.03 0.53 0.15 -0.51 -3.33 0.00 0.00 175.10 171.97 1sdy s ILE 117 N 0.83 4.35 0.63 7.04 1.10 -0.90 -1.78 121.20 132.48 1sdy s ILE 117 Ca -0.06 -0.71 -0.06 0.00 -0.51 0.00 0.00 60.65 59.31 1sdy s ILE 117 Cb -0.15 -3.33 0.03 0.00 0.15 0.00 0.00 42.46 39.16 1sdy s ILE 117 CO -0.01 -0.06 0.94 -1.00 -2.11 0.00 0.00 174.94 172.69 1sdy s HIS 118 N 1.54 3.13 -0.54 3.50 3.76 -0.43 -2.98 115.29 123.27 1sdy s HIS 118 Ca 0.03 0.56 0.24 0.00 -0.15 0.00 0.00 55.06 55.74 1sdy s HIS 118 Cb -0.18 -2.90 0.39 0.00 1.11 0.00 0.00 32.58 30.99 1sdy s HIS 118 CO 0.05 -1.03 1.44 0.00 -0.85 0.00 0.00 174.74 174.35 1sdy h ALA 119 N -0.32 0.76 -4.79 -1.40 0.00 -1.29 -3.40 119.26 108.81 1sdy h ALA 119 Ca -0.45 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 53.95 1sdy h ALA 119 Cb 1.28 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.96 1sdy h ALA 119 CO 0.60 0.00 -0.40 0.41 0.00 0.00 0.00 179.25 179.86 1sdy n GLY 120 N 1.25 3.47 3.75 0.00 0.00 -0.38 -4.97 105.19 108.31 1sdy n GLY 120 Ca 0.03 -2.18 -0.40 0.00 0.00 0.00 0.00 46.02 43.47 1sdy n GLY 120 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sdy s GLN 121 N -3.41 4.48 -0.25 1.61 0.74 -1.22 0.06 119.66 121.67 1sdy s GLN 121 Ca 0.11 1.04 -0.27 0.00 0.05 0.00 0.00 55.36 56.29 1sdy s GLN 121 Cb 0.01 -3.36 0.01 0.00 1.10 0.00 0.00 33.01 30.76 1sdy s GLN 121 CO 0.08 0.29 0.97 0.34 -0.55 0.00 0.00 175.29 176.42 1sdy s ASP 122 N -0.08 6.97 0.00 6.67 -1.08 -1.26 -4.01 116.67 123.88 1sdy s ASP 122 Ca 0.38 1.19 0.14 0.00 -0.52 0.00 0.00 52.55 53.74 1sdy s ASP 122 Cb -0.20 -2.50 0.85 0.00 -1.46 0.00 0.00 42.92 39.60 1sdy s ASP 122 CO 0.22 -0.65 1.30 -0.90 0.52 0.00 0.00 175.17 175.66 1sdy n ASP 123 N 6.30 0.00 -2.06 -0.34 5.68 0.25 -4.83 116.55 121.54 1sdy n ASP 123 Ca 0.10 -0.77 -0.17 0.00 -0.50 0.00 0.00 54.79 53.45 1sdy n ASP 123 Cb 0.47 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.45 1sdy n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sdy n LEU 124 N -0.87 -2.03 -0.37 -2.12 4.77 -1.26 -2.62 117.00 112.51 1sdy n LEU 124 Ca 0.11 -0.10 -0.05 0.00 -0.03 0.00 0.00 56.01 55.94 1sdy n LEU 124 Cb 0.05 -2.40 -0.02 0.00 -2.33 0.00 0.00 43.42 38.72 1sdy n LEU 124 CO 0.08 -0.02 -0.05 0.61 -1.33 0.00 0.00 177.39 176.68 1sdy n GLY 125 N -1.16 0.50 2.21 -0.72 0.00 -1.24 -4.03 105.19 100.75 1sdy n GLY 125 Ca -0.15 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 1sdy n GLY 125 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sdy n LYS 126 N -0.12 2.25 -2.19 1.61 5.02 -1.08 -4.66 118.16 119.00 1sdy n LYS 126 Ca -0.05 -2.97 -0.02 0.00 -2.02 0.00 0.00 58.31 53.25 1sdy n LYS 126 Cb 0.50 -2.16 -0.01 0.00 -0.02 0.00 0.00 35.03 33.34 1sdy n LYS 126 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sdy n GLY 127 N -1.10 4.11 0.38 0.72 0.00 -1.26 -5.03 105.19 103.00 1sdy n GLY 127 Ca 0.59 -2.10 -0.03 0.00 0.00 0.00 0.00 46.02 44.49 1sdy n GLY 127 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sdy h ASP 128 N 0.10 -1.41 -4.04 1.61 5.19 -1.99 -3.44 116.42 112.44 1sdy h ASP 128 Ca -0.03 0.29 -0.13 0.00 -0.62 0.00 0.00 57.03 56.55 1sdy h ASP 128 Cb 0.09 0.72 0.02 0.00 0.18 0.00 0.00 39.33 40.34 1sdy h ASP 128 CO 0.05 -0.29 0.02 0.35 -3.12 0.00 0.00 179.24 176.24 1sdy n THR 129 N -5.45 0.00 -0.02 0.35 -2.24 -1.26 -4.95 114.28 100.70 1sdy n THR 129 Ca 0.08 -0.44 -0.09 0.00 -2.27 0.00 0.00 64.05 61.33 1sdy n THR 129 Cb 0.38 -1.17 -0.14 0.00 -2.10 0.00 0.00 70.33 67.31 1sdy n THR 129 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1sdy n GLU 130 N -1.46 0.64 0.25 -0.78 2.13 -1.26 -3.76 120.64 116.39 1sdy n GLU 130 Ca 0.04 0.29 0.10 0.00 0.66 0.00 0.00 57.16 58.25 1sdy n GLU 130 Cb 0.16 -1.79 0.64 0.00 0.27 0.00 0.00 31.44 30.72 1sdy n GLU 130 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1sdy h GLU 131 N 0.00 0.00 -0.67 5.31 4.57 -1.95 -1.31 114.58 120.53 1sdy h GLU 131 Ca -0.29 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 57.82 1sdy h GLU 131 Cb 2.02 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.58 1sdy h GLU 131 CO 0.08 0.14 0.18 1.03 -1.18 0.00 0.00 179.01 179.26 1sdy h SER 132 N 0.00 1.00 0.68 1.04 0.87 -1.90 0.81 113.55 116.05 1sdy h SER 132 Ca -0.00 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1sdy h SER 132 Cb 0.30 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1sdy h SER 132 CO 0.02 0.96 0.00 0.18 -0.53 0.00 0.00 176.83 177.46 1sdy n LEU 133 N -4.30 0.65 -0.13 2.23 4.32 -0.50 -1.08 117.00 118.19 1sdy n LEU 133 Ca 0.05 0.67 -0.27 0.00 -0.02 0.00 0.00 56.01 56.44 1sdy n LEU 133 Cb 0.24 -0.59 -0.09 0.00 -1.62 0.00 0.00 43.42 41.36 1sdy n LEU 133 CO 0.41 -0.58 -1.35 0.29 -1.22 0.00 0.00 177.39 174.94 1sdy n LYS 134 N -2.23 0.53 0.00 3.23 4.76 -0.81 -0.98 118.16 122.67 1sdy n LYS 134 Ca 0.02 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 1sdy n LYS 134 Cb 0.22 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 1sdy n LYS 134 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1sdy n THR 135 N -4.14 0.00 -1.12 -0.18 -2.24 0.21 -4.65 114.28 102.17 1sdy n THR 135 Ca -0.49 -0.33 -0.04 0.00 -2.27 0.00 0.00 64.05 60.92 1sdy n THR 135 Cb 0.84 1.25 -0.02 0.00 -2.10 0.00 0.00 70.33 70.31 1sdy n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sdy n GLY 136 N 0.17 0.53 3.49 3.38 0.00 -0.24 -2.82 105.19 109.71 1sdy n GLY 136 Ca 0.00 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 1sdy n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sdy n ASN 137 N -0.55 -5.25 0.08 1.61 3.02 -1.26 0.85 115.26 113.77 1sdy n ASN 137 Ca -0.04 -0.52 0.09 0.00 -0.03 0.00 0.00 54.58 54.09 1sdy n ASN 137 Cb 0.37 -4.22 0.40 0.00 -0.61 0.00 0.00 39.78 35.73 1sdy n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sdy n ALA 138 N -4.19 1.53 0.00 5.41 0.00 -1.13 -4.67 120.51 117.47 1sdy n ALA 138 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1sdy n ALA 138 Cb 0.56 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1sdy n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sdy n GLY 139 N -0.29 -2.14 3.54 0.00 0.00 -1.26 -1.25 105.19 103.79 1sdy n GLY 139 Ca 0.02 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 1sdy n GLY 139 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1sdy s PRO 140 N -0.17 -0.95 -0.40 1.61 0.02 -1.26 -4.66 135.00 129.18 1sdy s PRO 140 Ca 0.00 0.39 0.02 0.00 0.02 0.00 0.00 61.00 61.43 1sdy s PRO 140 Cb 0.00 -1.59 0.11 0.00 0.02 0.00 0.00 34.50 33.04 1sdy s PRO 140 CO 0.00 -3.63 0.14 1.03 -0.33 0.00 0.00 177.00 174.21 1sdy s ARG 141 N -4.94 1.72 0.48 5.54 0.52 -1.26 -1.23 118.95 119.78 1sdy s ARG 141 Ca 0.68 -2.05 0.27 0.00 -0.52 0.00 0.00 55.73 54.11 1sdy s ARG 141 Cb -0.18 -3.32 0.77 0.00 0.52 0.00 0.00 34.95 32.75 1sdy s ARG 141 CO 0.59 -1.01 1.77 -1.00 0.02 0.00 0.00 175.30 175.67 1sdy h PRO 142 N 7.44 0.00 -2.64 3.54 0.13 -1.85 -3.45 132.00 135.17 1sdy h PRO 142 Ca -0.06 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.97 1sdy h PRO 142 Cb 1.00 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.93 1sdy h PRO 142 CO 0.59 0.03 -0.11 0.00 -0.23 0.00 0.00 178.00 178.28 1sdy s ALA 143 N -3.41 -1.16 0.31 -0.56 0.00 -1.24 -3.70 121.76 112.00 1sdy s ALA 143 Ca 0.04 0.76 -0.07 0.00 0.00 0.00 0.00 51.96 52.69 1sdy s ALA 143 Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1sdy s ALA 143 CO 0.62 -0.29 0.49 0.00 0.00 0.00 0.00 175.76 176.57 1sdy s GLY 145 N -3.14 -0.40 0.24 0.00 0.00 -0.25 -1.90 107.32 101.86 1sdy s GLY 145 Ca 0.27 2.01 -0.30 0.00 0.00 0.00 0.00 44.72 46.71 1sdy s GLY 145 CO 0.15 1.44 1.03 0.14 0.00 0.00 0.00 173.10 175.86 1sdy s VAL 146 N -0.33 3.82 -0.34 1.40 1.01 -1.26 0.03 120.40 124.72 1sdy s VAL 146 Ca -0.02 1.78 -0.29 0.00 0.00 0.00 0.00 61.98 63.45 1sdy s VAL 146 Cb -0.03 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.24 1sdy s VAL 146 CO 0.02 0.40 1.13 -0.63 0.00 0.00 0.00 175.10 176.02 1sdy s ILE 147 N -1.00 4.39 0.32 2.22 1.01 0.30 -4.42 121.20 124.03 1sdy s ILE 147 Ca 0.44 1.57 0.10 0.00 0.00 0.00 0.00 60.65 62.76 1sdy s ILE 147 Cb -0.29 -4.40 -0.06 0.00 0.01 0.00 0.00 42.46 37.72 1sdy s ILE 147 CO 0.36 -0.57 -0.13 -0.83 0.00 0.00 0.00 174.94 173.77 1sdy s GLY 148 N 1.99 2.09 0.21 6.18 0.00 0.11 -1.51 107.32 116.38 1sdy s GLY 148 Ca 0.48 -2.02 -0.30 0.00 0.00 0.00 0.00 44.72 42.88 1sdy s GLY 148 CO 0.19 -2.01 0.96 1.08 0.00 0.00 0.00 173.10 173.32 1sdy s LEU 149 N -3.58 4.60 0.00 0.66 2.01 -1.26 0.11 118.68 121.22 1sdy s LEU 149 Ca 0.32 1.93 0.00 0.00 0.01 0.00 0.00 54.13 56.38 1sdy s LEU 149 Cb -0.00 -3.60 0.00 0.00 0.01 0.00 0.00 46.19 42.59 1sdy s LEU 149 CO 0.16 0.08 0.00 1.07 1.01 0.00 0.00 176.35 178.67 1sdy n THR 150 N 1.85 0.00 0.00 5.49 5.66 0.33 -4.82 114.28 122.79 1sdy n THR 150 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1sdy n THR 150 Cb 0.47 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.25 1sdy n THR 150 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61