#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 1.17 0.21 5.55 -1.52 -1.26 -2.11 119.66 121.69 1sdy s GLN 3 Ca 0.00 -0.33 0.01 0.00 -1.95 0.00 0.00 55.36 53.09 1sdy s GLN 3 Cb 0.00 -1.05 -0.05 0.00 -0.22 0.00 0.00 33.01 31.69 1sdy s GLN 3 CO 0.00 0.09 0.05 0.00 -0.25 0.00 0.00 175.29 175.18 1sdy s ALA 4 N 0.36 1.45 -0.04 6.09 0.00 0.07 -1.80 121.76 127.88 1sdy s ALA 4 Ca -0.07 -1.70 -0.22 0.00 0.00 0.00 0.00 51.96 49.97 1sdy s ALA 4 Cb -0.11 0.83 0.05 0.00 0.00 0.00 0.00 23.12 23.89 1sdy s ALA 4 CO 0.01 -0.41 0.49 0.54 0.00 0.00 0.00 175.76 176.40 1sdy s VAL 5 N -3.76 0.03 -0.07 0.00 0.11 0.32 -1.52 120.40 115.50 1sdy s VAL 5 Ca 0.30 -0.22 -0.00 0.00 -2.93 0.00 0.00 61.98 59.13 1sdy s VAL 5 Cb 0.07 -0.80 0.02 0.00 -1.53 0.00 0.00 36.38 34.14 1sdy s VAL 5 CO 0.08 -0.12 -0.04 0.00 -3.33 0.00 0.00 175.10 171.69 1sdy s ALA 6 N -1.16 0.88 -0.37 1.54 0.00 -0.35 0.38 121.76 122.67 1sdy s ALA 6 Ca -0.11 -0.22 -0.16 0.00 0.00 0.00 0.00 51.96 51.46 1sdy s ALA 6 Cb -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.42 1sdy s ALA 6 CO 0.07 -0.28 0.40 0.08 0.00 0.00 0.00 175.76 176.03 1sdy s VAL 7 N 1.50 5.13 -0.24 0.00 1.01 -1.26 -1.01 120.40 125.53 1sdy s VAL 7 Ca -0.01 -0.08 -0.21 0.00 0.00 0.00 0.00 61.98 61.68 1sdy s VAL 7 Cb -0.13 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 1sdy s VAL 7 CO -0.04 -0.22 0.63 -0.76 0.00 0.00 0.00 175.10 174.72 1sdy s LEU 8 N 2.08 4.09 0.10 3.92 1.02 0.73 -4.05 118.68 126.56 1sdy s LEU 8 Ca 0.12 0.75 0.01 0.00 0.02 0.00 0.00 54.13 55.04 1sdy s LEU 8 Cb -0.17 -2.87 -0.04 0.00 0.02 0.00 0.00 46.19 43.13 1sdy s LEU 8 CO 0.12 -0.34 -0.06 -0.54 0.02 0.00 0.00 176.35 175.55 1sdy s LYS 9 N 2.32 0.83 0.00 1.70 -0.14 -0.76 -2.53 119.74 121.16 1sdy s LYS 9 Ca 0.27 -1.33 0.00 0.00 -1.36 0.00 0.00 55.97 53.55 1sdy s LYS 9 Cb -0.16 -0.17 0.00 0.00 -1.68 0.00 0.00 37.83 35.83 1sdy s LYS 9 CO 0.09 -0.03 0.00 0.41 -0.76 0.00 0.00 175.35 175.06 1sdy n GLY 10 N -0.04 1.72 1.53 -3.33 0.00 -1.25 -2.13 105.19 101.70 1sdy n GLY 10 Ca -0.12 -0.82 -0.06 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.33 3.58 -0.02 1.61 8.00 -1.25 -4.55 116.55 123.60 1sdy n ASP 11 Ca 0.00 -3.47 0.01 0.00 0.71 0.00 0.00 54.79 52.04 1sdy n ASP 11 Cb 0.00 -0.69 0.01 0.00 -0.02 0.00 0.00 41.12 40.42 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 -0.78 1.76 -0.59 2.24 0.00 -1.26 -4.96 120.51 116.93 1sdy n ALA 12 Ca 0.38 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1sdy n ALA 12 Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.64 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 -0.42 1.36 3.82 0.00 0.00 -1.26 -5.00 105.19 103.68 1sdy n GLY 13 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1sdy n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sdy s VAL 14 N -3.41 5.32 0.21 1.61 1.01 -1.26 -4.34 120.40 119.55 1sdy s VAL 14 Ca 0.00 0.46 -0.17 0.00 0.00 0.00 0.00 61.98 62.27 1sdy s VAL 14 Cb 0.00 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.86 1sdy s VAL 14 CO 0.00 0.54 0.55 -0.94 0.00 0.00 0.00 175.10 175.24 1sdy s SER 15 N -0.55 -0.24 0.00 3.32 1.04 -0.05 -3.92 113.70 113.29 1sdy s SER 15 Ca 0.17 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1sdy s SER 15 Cb -0.13 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1sdy s SER 15 CO 0.06 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.79 1sdy n GLY 16 N -0.36 -0.66 3.01 7.32 0.00 -1.05 0.10 105.19 113.55 1sdy n GLY 16 Ca -0.08 -1.19 -0.21 0.00 0.00 0.00 0.00 46.02 44.53 1sdy n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sdy s VAL 17 N -2.00 0.87 -0.15 1.61 -7.23 0.02 -0.19 120.40 113.33 1sdy s VAL 17 Ca 0.00 -0.39 -0.00 0.00 -1.81 0.00 0.00 61.98 59.78 1sdy s VAL 17 Cb 0.00 -0.78 -0.01 0.00 0.56 0.00 0.00 36.38 36.15 1sdy s VAL 17 CO 0.00 0.27 -0.14 0.54 -0.31 0.00 0.00 175.10 175.47 1sdy s VAL 18 N 0.31 2.86 0.02 1.32 0.11 -0.18 -2.53 120.40 122.30 1sdy s VAL 18 Ca -0.06 -0.71 0.02 0.00 -2.93 0.00 0.00 61.98 58.30 1sdy s VAL 18 Cb -0.10 -2.21 -0.04 0.00 -1.53 0.00 0.00 36.38 32.50 1sdy s VAL 18 CO 0.01 0.51 -0.00 -0.54 -3.33 0.00 0.00 175.10 171.75 1sdy s LYS 19 N 0.67 2.72 -0.01 1.54 1.02 0.11 -1.22 119.74 124.57 1sdy s LYS 19 Ca -0.07 -0.66 0.02 0.00 0.02 0.00 0.00 55.97 55.27 1sdy s LYS 19 Cb -0.16 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 1sdy s LYS 19 CO 0.02 0.61 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.94 1sdy s PHE 20 N -1.12 0.56 -0.04 3.18 0.40 -0.58 -1.43 117.98 118.95 1sdy s PHE 20 Ca 0.21 -0.11 -0.02 0.00 -0.60 0.00 0.00 56.93 56.41 1sdy s PHE 20 Cb -0.12 -0.40 0.03 0.00 0.51 0.00 0.00 43.02 43.05 1sdy s PHE 20 CO 0.12 -0.04 0.09 -2.00 0.70 0.00 0.00 175.22 174.09 1sdy s GLU 21 N 0.06 0.04 -0.05 0.44 2.12 -0.13 -0.75 118.70 120.44 1sdy s GLU 21 Ca -0.00 0.27 -0.02 0.00 0.36 0.00 0.00 54.97 55.58 1sdy s GLU 21 Cb -0.05 -0.18 0.03 0.00 0.26 0.00 0.00 34.13 34.20 1sdy s GLU 21 CO -0.00 -0.15 0.09 -1.14 -0.54 0.00 0.00 175.26 173.52 1sdy s GLN 22 N 0.99 -0.03 -0.01 4.30 0.74 -0.90 -0.75 119.66 124.01 1sdy s GLN 22 Ca -0.08 0.38 0.11 0.00 0.05 0.00 0.00 55.36 55.81 1sdy s GLN 22 Cb -0.11 -0.36 -0.23 0.00 1.10 0.00 0.00 33.01 33.42 1sdy s GLN 22 CO -0.04 -0.27 0.81 0.00 -0.55 0.00 0.00 175.29 175.24 1sdy h ALA 23 N 8.01 0.66 -2.47 1.58 0.00 -1.84 -3.41 119.26 121.80 1sdy h ALA 23 Ca -0.24 -1.33 -0.08 0.00 0.00 0.00 0.00 54.91 53.26 1sdy h ALA 23 Cb 1.12 0.34 -0.18 0.00 0.00 0.00 0.00 17.79 19.08 1sdy h ALA 23 CO 0.26 1.50 -0.11 -1.54 0.00 0.00 0.00 179.25 179.36 1sdy s SER 24 N -6.27 -0.31 0.46 0.00 1.04 -1.26 -5.02 113.70 102.34 1sdy s SER 24 Ca -0.04 0.10 0.24 0.00 0.48 0.00 0.00 55.95 56.73 1sdy s SER 24 Cb 0.08 0.41 1.25 0.00 0.10 0.00 0.00 66.02 67.87 1sdy s SER 24 CO 0.82 -0.61 1.85 -0.08 0.98 0.00 0.00 173.24 176.19 1sdy h GLU 25 N 3.18 0.23 0.00 4.02 4.81 -1.92 0.79 114.58 125.69 1sdy h GLU 25 Ca -0.30 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 58.70 1sdy h GLU 25 Cb 1.19 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 1sdy h GLU 25 CO 0.42 0.16 -1.08 0.66 -0.73 0.00 0.00 179.01 178.43 1sdy h SER 25 N 0.24 0.00 -4.15 1.04 4.64 -1.95 -3.46 113.55 109.91 1sdy h SER 25 Ca 0.49 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 61.33 1sdy h SER 25 Cb 1.50 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.63 1sdy h SER 25 CO -0.13 0.91 0.38 -1.61 -0.87 0.00 0.00 176.83 175.50 1sdy s GLU 25 N -2.74 3.64 0.59 4.77 0.41 0.27 -5.01 118.70 120.62 1sdy s GLU 25 Ca 0.00 1.21 -0.19 0.00 -0.41 0.00 0.00 54.97 55.59 1sdy s GLU 25 Cb 0.09 -2.08 -0.04 0.00 -1.78 0.00 0.00 34.13 30.32 1sdy s GLU 25 CO 0.81 -0.55 1.20 -1.25 -0.49 0.00 0.00 175.26 174.98 1sdy s PRO 26 N -3.73 3.02 -0.16 0.39 0.05 -1.26 -4.76 135.00 128.54 1sdy s PRO 26 Ca 0.64 1.80 -0.15 0.00 0.05 0.00 0.00 61.00 63.34 1sdy s PRO 26 Cb -0.15 -1.94 -0.04 0.00 0.05 0.00 0.00 34.50 32.42 1sdy s PRO 26 CO 0.29 -1.16 0.34 0.99 0.05 0.00 0.00 177.00 177.51 1sdy s THR 27 N -1.62 5.27 -0.24 1.26 2.01 -0.69 -4.67 115.64 116.96 1sdy s THR 27 Ca 0.77 0.64 -0.19 0.00 0.31 0.00 0.00 61.69 63.22 1sdy s THR 27 Cb -0.29 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 1sdy s THR 27 CO 0.32 0.35 0.56 -0.89 -0.69 0.00 0.00 174.62 174.27 1sdy s THR 28 N 0.69 5.05 -0.22 -0.82 2.01 0.07 -1.10 115.64 121.31 1sdy s THR 28 Ca 0.18 0.99 -0.08 0.00 0.31 0.00 0.00 61.69 63.10 1sdy s THR 28 Cb -0.14 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1sdy s THR 28 CO 0.06 0.09 0.08 -0.69 -0.69 0.00 0.00 174.62 173.47 1sdy s VAL 29 N 2.17 4.61 -0.00 3.82 1.01 0.10 -0.95 120.40 131.15 1sdy s VAL 29 Ca 0.24 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.19 1sdy s VAL 29 Cb -0.16 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 1sdy s VAL 29 CO 0.09 0.38 -0.16 -0.94 0.00 0.00 0.00 175.10 174.47 1sdy s SER 30 N 1.12 1.92 0.09 3.32 1.04 -0.51 -0.40 113.70 120.27 1sdy s SER 30 Ca 0.05 -0.33 -0.20 0.00 0.48 0.00 0.00 55.95 55.94 1sdy s SER 30 Cb -0.14 -0.20 0.05 0.00 0.10 0.00 0.00 66.02 65.83 1sdy s SER 30 CO 0.04 0.18 0.49 -0.72 0.98 0.00 0.00 173.24 174.20 1sdy s TYR 31 N -0.47 -0.36 -0.18 5.02 -0.85 0.25 0.05 117.35 120.80 1sdy s TYR 31 Ca 0.06 0.26 -0.05 0.00 -0.52 0.00 0.00 57.07 56.82 1sdy s TYR 31 Cb -0.07 0.34 0.09 0.00 0.38 0.00 0.00 41.96 42.71 1sdy s TYR 31 CO -0.00 -0.69 0.31 -2.00 -1.52 0.00 0.00 175.55 171.65 1sdy s GLU 32 N -3.06 0.23 -0.06 -3.49 2.12 -1.05 -1.46 118.70 111.93 1sdy s GLU 32 Ca -0.02 0.66 0.02 0.00 0.36 0.00 0.00 54.97 55.99 1sdy s GLU 32 Cb 0.00 -0.27 0.02 0.00 0.26 0.00 0.00 34.13 34.13 1sdy s GLU 32 CO -0.07 -0.42 -0.10 0.42 -0.54 0.00 0.00 175.26 174.55 1sdy s ILE 33 N 2.46 0.96 0.38 -3.70 1.01 0.95 -0.80 121.20 122.46 1sdy s ILE 33 Ca 0.04 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.40 1sdy s ILE 33 Cb -0.13 -0.90 -0.07 0.00 0.01 0.00 0.00 42.46 41.37 1sdy s ILE 33 CO -0.11 0.32 -0.04 0.00 0.00 0.00 0.00 174.94 175.11 1sdy s ALA 34 N 0.72 3.08 0.00 9.38 0.00 0.29 -0.50 121.76 134.73 1sdy s ALA 34 Ca -0.14 -2.18 0.00 0.00 0.00 0.00 0.00 51.96 49.64 1sdy s ALA 34 Cb -0.15 0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1sdy s ALA 34 CO 0.03 -0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.18 1sdy n GLY 35 N -0.89 0.66 3.47 0.00 0.00 -1.18 -0.88 105.19 106.37 1sdy n GLY 35 Ca -0.05 -0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 1sdy n GLY 35 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sdy n ASN 35 N 0.00 0.25 -4.81 1.61 3.02 -1.04 -4.48 115.26 109.82 1sdy n ASN 35 Ca 0.00 -1.52 -0.33 0.00 -0.03 0.00 0.00 54.58 52.70 1sdy n ASN 35 Cb 0.00 -0.87 -0.03 0.00 -0.61 0.00 0.00 39.78 38.27 1sdy n ASN 35 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1sdy s SER 36 N -5.27 6.37 0.41 6.41 0.01 -1.26 -4.45 113.70 115.92 1sdy s SER 36 Ca 0.67 1.77 -0.23 0.00 1.31 0.00 0.00 55.95 59.46 1sdy s SER 36 Cb -0.02 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.58 1sdy s SER 36 CO 0.46 -0.76 1.02 -2.84 0.41 0.00 0.00 173.24 171.54 1sdy s PRO 37 N -3.66 4.17 -1.18 12.44 0.02 -1.26 -4.14 135.00 141.39 1sdy s PRO 37 Ca 0.63 1.42 -0.30 0.00 0.02 0.00 0.00 61.00 62.78 1sdy s PRO 37 Cb -0.13 -2.46 0.03 0.00 0.02 0.00 0.00 34.50 31.95 1sdy s PRO 37 CO 0.26 -0.12 0.72 0.09 -0.33 0.00 0.00 177.00 177.62 1sdy n ASN 38 N -0.20 -4.60 -3.62 2.53 3.02 0.89 -4.93 115.26 108.35 1sdy n ASN 38 Ca 0.06 -1.19 -0.16 0.00 -0.03 0.00 0.00 54.58 53.25 1sdy n ASN 38 Cb 0.51 -2.27 -0.08 0.00 -0.61 0.00 0.00 39.78 37.33 1sdy n ASN 38 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sdy s ALA 39 N -3.49 1.40 -0.18 5.41 0.00 -1.17 -4.92 121.76 118.81 1sdy s ALA 39 Ca 0.48 -1.83 0.01 0.00 0.00 0.00 0.00 51.96 50.62 1sdy s ALA 39 Cb -0.23 1.39 0.03 0.00 0.00 0.00 0.00 23.12 24.31 1sdy s ALA 39 CO 0.93 -0.67 -0.14 -1.21 0.00 0.00 0.00 175.76 174.68 1sdy s GLU 40 N -3.62 2.33 0.01 0.00 2.02 -1.26 0.17 118.70 118.34 1sdy s GLU 40 Ca 0.38 -0.76 0.08 0.00 0.02 0.00 0.00 54.97 54.70 1sdy s GLU 40 Cb 0.03 -2.35 -0.02 0.00 0.10 0.00 0.00 34.13 31.89 1sdy s GLU 40 CO 0.21 -0.32 -0.25 1.03 0.02 0.00 0.00 175.26 175.95 1sdy s ARG 41 N 1.40 1.87 0.28 1.61 1.81 -0.73 -3.51 118.95 121.68 1sdy s ARG 41 Ca 0.02 -0.97 -0.29 0.00 -1.72 0.00 0.00 55.73 52.77 1sdy s ARG 41 Cb -0.14 -1.91 -0.10 0.00 -0.45 0.00 0.00 34.95 32.35 1sdy s ARG 41 CO -0.10 0.51 1.36 0.20 -0.68 0.00 0.00 175.30 176.59 1sdy s GLY 42 N -0.87 2.68 -0.21 -3.53 0.00 0.19 -1.13 107.32 104.46 1sdy s GLY 42 Ca 0.10 1.27 -0.01 0.00 0.00 0.00 0.00 44.72 46.08 1sdy s GLY 42 CO 0.00 2.07 -0.01 -0.12 0.00 0.00 0.00 173.10 175.05 1sdy s PHE 43 N -0.57 1.69 0.05 1.90 5.36 0.09 0.14 117.98 126.64 1sdy s PHE 43 Ca 0.54 -1.28 -0.04 0.00 -0.96 0.00 0.00 56.93 55.19 1sdy s PHE 43 Cb -0.40 -1.29 -0.02 0.00 -0.34 0.00 0.00 43.02 40.96 1sdy s PHE 43 CO 0.48 -0.68 0.06 -1.01 -1.46 0.00 0.00 175.22 172.60 1sdy s HIS 44 N 1.63 0.32 -0.37 10.12 3.76 -0.80 -2.25 115.29 127.71 1sdy s HIS 44 Ca -0.03 -0.74 -0.17 0.00 -0.15 0.00 0.00 55.06 53.96 1sdy s HIS 44 Cb -0.18 -0.23 0.00 0.00 1.11 0.00 0.00 32.58 33.29 1sdy s HIS 44 CO -0.07 -0.40 0.46 0.42 -0.85 0.00 0.00 174.74 174.31 1sdy s ILE 45 N -3.30 5.06 0.43 0.60 1.01 0.08 -0.29 121.20 124.78 1sdy s ILE 45 Ca 0.01 0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.73 1sdy s ILE 45 Cb 0.03 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 1sdy s ILE 45 CO -0.08 -0.25 0.69 -1.00 0.00 0.00 0.00 174.94 174.30 1sdy s HIS 46 N 2.26 3.51 0.15 3.97 3.76 0.58 -1.28 115.29 128.25 1sdy s HIS 46 Ca 0.16 0.59 -0.15 0.00 -0.15 0.00 0.00 55.06 55.51 1sdy s HIS 46 Cb -0.16 -2.15 0.03 0.00 1.11 0.00 0.00 32.58 31.41 1sdy s HIS 46 CO 0.13 -0.14 1.74 1.49 -0.85 0.00 0.00 174.74 177.11 1sdy h GLU 47 N 0.43 0.67 -6.38 1.40 4.81 -0.73 -3.03 114.58 111.75 1sdy h GLU 47 Ca -0.48 -0.09 -0.65 0.00 -0.13 0.00 0.00 59.36 58.01 1sdy h GLU 47 Cb 1.21 -0.12 -0.13 0.00 0.63 0.00 0.00 28.75 30.35 1sdy h GLU 47 CO 0.61 0.55 -0.67 -0.06 -0.73 0.00 0.00 179.01 178.71 1sdy s PHE 48 N -5.75 2.95 -0.61 0.92 0.08 -0.71 -4.65 117.98 110.22 1sdy s PHE 48 Ca -0.13 -0.04 -0.01 0.00 0.12 0.00 0.00 56.93 56.86 1sdy s PHE 48 Cb 0.11 -1.52 0.46 0.00 -0.57 0.00 0.00 43.02 41.50 1sdy s PHE 48 CO 0.75 0.47 2.01 0.41 -0.10 0.00 0.00 175.22 178.77 1sdy n GLY 49 N 0.60 5.52 3.40 4.36 0.00 -0.82 -2.91 105.19 115.34 1sdy n GLY 49 Ca -0.11 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 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 -1.59 5.94 -0.37 1.61 -1.08 -1.26 -4.93 116.67 114.99 1sdy s ASP 50 Ca 0.61 -1.07 0.06 0.00 -0.52 0.00 0.00 52.55 51.63 1sdy s ASP 50 Cb 0.48 -2.10 0.59 0.00 -1.46 0.00 0.00 42.92 40.43 1sdy s ASP 50 CO 0.01 -0.47 1.69 0.00 0.52 0.00 0.00 175.17 176.92 1sdy n ALA 51 N 5.08 4.97 0.24 3.66 0.00 -1.26 -3.77 120.51 129.43 1sdy n ALA 51 Ca -0.11 -3.03 0.12 0.00 0.00 0.00 0.00 53.44 50.42 1sdy n ALA 51 Cb 0.46 -1.09 0.55 0.00 0.00 0.00 0.00 19.45 19.37 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 1.01 0.43 -2.10 0.00 1.35 -1.93 -3.29 112.91 108.39 1sdy h THR 52 Ca 0.43 -0.90 -0.57 0.00 -0.55 0.00 0.00 66.41 64.83 1sdy h THR 52 Cb 2.27 1.64 -0.41 0.00 -1.73 0.00 0.00 68.15 69.93 1sdy h THR 52 CO 0.75 0.16 -0.89 -3.20 -0.25 0.00 0.00 175.52 172.08 1sdy n ASN 53 N -3.36 2.00 0.00 5.36 5.15 -1.26 -5.04 115.26 118.11 1sdy n ASN 53 Ca -0.00 -3.11 0.00 0.00 -0.60 0.00 0.00 54.58 50.87 1sdy n ASN 53 Cb 0.37 -0.64 0.00 0.00 -0.53 0.00 0.00 39.78 38.98 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 0.86 2.28 0.01 8.20 0.00 -1.24 -0.73 105.19 114.56 1sdy n GLY 54 Ca 0.26 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 0.05 1.28 0.00 0.00 -1.51 -1.28 -2.67 116.25 112.12 1sdy h VAL 56 Ca 0.00 -1.41 0.00 0.00 -1.23 0.00 0.00 66.70 64.06 1sdy h VAL 56 Cb 0.49 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 1sdy h VAL 56 CO 0.00 0.46 0.00 -1.54 -1.23 0.00 0.00 177.57 175.26 1sdy n SER 57 N -4.08 0.00 0.00 4.19 3.41 -0.81 -2.38 113.62 113.95 1sdy n SER 57 Ca -0.01 -0.94 0.13 0.00 -0.26 0.00 0.00 58.87 57.80 1sdy n SER 57 Cb 0.46 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 65.03 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 -0.88 2.30 -0.14 7.33 0.00 -1.01 -4.42 120.51 123.70 1sdy n ALA 58 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1sdy n ALA 58 Cb 0.06 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 1.30 -1.58 0.00 0.00 0.00 -1.00 -1.74 105.19 102.17 1sdy n GLY 59 Ca 0.08 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.15 0.11 -2.68 1.61 -0.04 -1.26 -4.63 135.00 127.96 1sdy n PRO 60 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1sdy n PRO 60 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 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 -0.89 3.24 -0.09 0.54 3.76 -1.26 -0.84 115.29 119.75 1sdy s HIS 61 Ca 0.00 1.58 -0.30 0.00 -0.15 0.00 0.00 55.06 56.20 1sdy s HIS 61 Cb 0.00 -2.90 -0.04 0.00 1.11 0.00 0.00 32.58 30.75 1sdy s HIS 61 CO 0.00 -0.35 1.52 0.12 -0.85 0.00 0.00 174.74 175.19 1sdy s PHE 62 N -2.19 2.27 -0.39 1.40 5.36 -0.40 -4.48 117.98 119.54 1sdy s PHE 62 Ca 0.63 0.46 0.10 0.00 -0.96 0.00 0.00 56.93 57.16 1sdy s PHE 62 Cb -0.11 -3.78 0.32 0.00 -0.34 0.00 0.00 43.02 39.11 1sdy s PHE 62 CO 0.18 -3.14 0.75 -1.71 -1.46 0.00 0.00 175.22 169.83 1sdy n ASN 63 N 6.94 0.16 0.32 6.13 4.05 -1.26 -2.09 115.26 129.51 1sdy n ASN 63 Ca 0.16 -3.05 0.21 0.00 0.45 0.00 0.00 54.58 52.35 1sdy n ASN 63 Cb 0.43 -0.20 1.10 0.00 1.23 0.00 0.00 39.78 42.34 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 3.22 0.00 -0.56 1.20 0.13 -1.98 -1.80 132.00 132.21 1sdy h PRO 64 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1sdy h PRO 64 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1sdy h PRO 64 CO 0.44 0.01 0.00 1.19 -0.23 0.00 0.00 178.00 179.41 1sdy n PHE 65 N -3.22 0.77 -3.32 1.56 3.72 -1.26 -4.95 117.46 110.75 1sdy n PHE 65 Ca -0.03 -0.38 -0.16 0.00 -0.05 0.00 0.00 57.45 56.83 1sdy n PHE 65 Cb 0.11 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 38.69 1sdy n PHE 65 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1sdy n LYS 66 N 1.10 -1.91 -4.59 -1.08 3.00 -0.68 -5.03 118.16 108.97 1sdy n LYS 66 Ca 0.19 0.87 -0.27 0.00 -0.00 0.00 0.00 58.31 59.10 1sdy n LYS 66 Cb 0.48 -5.43 -0.09 0.00 0.00 0.00 0.00 35.03 29.99 1sdy n LYS 66 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1sdy s LYS 67 N -4.52 1.94 0.41 1.64 1.02 -1.26 -5.11 119.74 113.85 1sdy s LYS 67 Ca 0.39 -2.16 -0.04 0.00 0.02 0.00 0.00 55.97 54.19 1sdy s LYS 67 Cb -0.07 -1.19 -0.04 0.00 -0.52 0.00 0.00 37.83 36.01 1sdy s LYS 67 CO 0.77 -0.27 0.68 0.95 -0.92 0.00 0.00 175.35 176.56 1sdy s THR 68 N -3.02 4.98 0.27 2.17 -4.23 -1.26 -4.69 115.64 109.86 1sdy s THR 68 Ca 0.25 0.01 -0.30 0.00 -1.18 0.00 0.00 61.69 60.47 1sdy s THR 68 Cb 0.06 -3.83 -0.10 0.00 1.34 0.00 0.00 72.50 69.96 1sdy s THR 68 CO 0.12 -0.66 1.48 -2.28 -0.54 0.00 0.00 174.62 172.75 1sdy s HIS 69 N -2.48 2.92 0.00 3.99 2.46 0.72 -3.17 115.29 119.73 1sdy s HIS 69 Ca 0.45 0.98 0.00 0.00 0.47 0.00 0.00 55.06 56.96 1sdy s HIS 69 Cb -0.10 -3.90 0.00 0.00 -0.13 0.00 0.00 32.58 28.45 1sdy s HIS 69 CO 0.39 -2.93 0.00 0.41 -2.47 0.00 0.00 174.74 170.14 1sdy n GLY 70 N 2.03 3.48 3.89 1.59 0.00 -1.26 -4.29 105.19 110.63 1sdy n GLY 70 Ca 0.07 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.44 3.81 0.53 4.61 0.00 -1.23 -4.77 121.76 123.27 1sdy s ALA 71 Ca 0.00 -0.54 0.40 0.00 0.00 0.00 0.00 51.96 51.82 1sdy s ALA 71 Cb 0.00 -2.12 1.59 0.00 0.00 0.00 0.00 23.12 22.58 1sdy s ALA 71 CO 0.00 0.65 1.70 -1.35 0.00 0.00 0.00 175.76 176.76 1sdy h PRO 72 N 3.35 0.03 -0.09 0.00 0.11 -1.88 0.31 132.00 133.83 1sdy h PRO 72 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1sdy h PRO 72 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1sdy h PRO 72 CO 0.70 0.02 0.00 0.25 -0.21 0.00 0.00 178.00 178.76 1sdy n THR 73 N -4.17 0.09 -3.15 -1.15 -2.24 -1.26 -4.92 114.28 97.48 1sdy n THR 73 Ca 0.34 -0.41 -0.27 0.00 -2.27 0.00 0.00 64.05 61.44 1sdy n THR 73 Cb 1.54 0.89 -0.02 0.00 -2.10 0.00 0.00 70.33 70.64 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 -1.88 6.35 0.07 3.42 1.01 0.11 -5.02 116.67 120.72 1sdy s ASP 74 Ca 0.34 0.70 -0.17 0.00 0.71 0.00 0.00 52.55 54.12 1sdy s ASP 74 Cb 0.20 -2.14 -0.12 0.00 1.01 0.00 0.00 42.92 41.87 1sdy s ASP 74 CO 0.31 -0.34 1.37 -0.08 0.21 0.00 0.00 175.17 176.64 1sdy h GLU 75 N 0.96 0.53 -5.05 8.23 4.81 -1.91 -3.41 114.58 118.74 1sdy h GLU 75 Ca -0.48 -0.30 -0.68 0.00 -0.13 0.00 0.00 59.36 57.78 1sdy h GLU 75 Cb 1.20 0.02 -0.17 0.00 0.63 0.00 0.00 28.75 30.43 1sdy h GLU 75 CO 0.63 0.89 -0.11 0.08 -0.73 0.00 0.00 179.01 179.77 1sdy s VAL 76 N -4.26 5.02 -0.02 0.32 1.01 -1.26 -4.99 120.40 116.22 1sdy s VAL 76 Ca -0.13 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 1sdy s VAL 76 Cb 0.07 -4.05 0.11 0.00 0.00 0.00 0.00 36.38 32.50 1sdy s VAL 76 CO 0.80 -0.41 1.06 0.00 0.00 0.00 0.00 175.10 176.54 1sdy s ARG 77 N 2.33 0.70 0.58 2.72 1.70 -1.19 -4.12 118.95 121.67 1sdy s ARG 77 Ca 0.15 -0.32 -0.15 0.00 -0.47 0.00 0.00 55.73 54.94 1sdy s ARG 77 Cb -0.16 0.28 -0.05 0.00 -0.57 0.00 0.00 34.95 34.45 1sdy s ARG 77 CO 0.15 -0.32 1.03 -1.01 -1.08 0.00 0.00 175.30 174.07 1sdy s HIS 78 N -2.86 3.22 0.27 5.89 3.76 -1.20 -4.70 115.29 119.67 1sdy s HIS 78 Ca 0.09 1.47 -0.03 0.00 -0.15 0.00 0.00 55.06 56.45 1sdy s HIS 78 Cb -0.00 -2.89 0.37 0.00 1.11 0.00 0.00 32.58 31.16 1sdy s HIS 78 CO -0.04 -0.82 1.84 -0.39 -0.85 0.00 0.00 174.74 174.48 1sdy h VAL 79 N 0.44 1.23 0.00 -0.90 -1.51 -1.79 -2.37 116.25 111.35 1sdy h VAL 79 Ca -0.46 -0.74 0.00 0.00 -1.23 0.00 0.00 66.70 64.27 1sdy h VAL 79 Cb 1.20 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 1sdy h VAL 79 CO 0.59 0.29 0.00 0.61 -1.23 0.00 0.00 177.57 177.83 1sdy n GLY 80 N -0.96 -0.75 3.56 5.19 0.00 -0.91 -4.61 105.19 106.70 1sdy n GLY 80 Ca 0.05 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.37 6.35 -0.02 1.61 1.01 -0.89 -0.74 116.67 122.61 1sdy s ASP 81 Ca 0.06 -0.11 0.11 0.00 0.71 0.00 0.00 52.55 53.32 1sdy s ASP 81 Cb 0.03 -2.54 0.34 0.00 1.01 0.00 0.00 42.92 41.75 1sdy s ASP 81 CO 0.05 -1.56 1.28 0.23 0.21 0.00 0.00 175.17 175.37 1sdy n MET 82 N 8.62 2.89 0.00 8.23 2.81 -0.95 -4.16 117.12 134.55 1sdy n MET 82 Ca 0.06 -2.16 0.00 0.00 -1.81 0.00 0.00 57.70 53.79 1sdy n MET 82 Cb 0.49 -1.35 0.00 0.00 -0.71 0.00 0.00 33.22 31.65 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 0.39 -0.40 3.68 3.03 0.00 -1.20 -4.79 105.19 105.89 1sdy n GLY 83 Ca 0.13 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 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 4.93 0.09 1.61 0.01 -1.26 -0.73 114.94 115.59 1sdy s ASN 84 Ca 0.00 -0.24 0.04 0.00 -0.71 0.00 0.00 52.86 51.95 1sdy s ASN 84 Cb 0.00 -1.13 -0.04 0.00 0.41 0.00 0.00 41.25 40.49 1sdy s ASN 84 CO 0.00 0.15 0.05 0.68 -1.51 0.00 0.00 177.10 176.47 1sdy s VAL 85 N -1.40 4.32 -0.17 1.60 -7.23 -0.29 -4.88 120.40 112.36 1sdy s VAL 85 Ca 0.26 -0.88 -0.13 0.00 -1.81 0.00 0.00 61.98 59.41 1sdy s VAL 85 Cb -0.11 -3.09 -0.05 0.00 0.56 0.00 0.00 36.38 33.70 1sdy s VAL 85 CO 0.18 0.10 0.28 -0.54 -0.31 0.00 0.00 175.10 174.81 1sdy s LYS 86 N -2.41 4.25 -0.04 4.82 1.02 -1.26 -1.77 119.74 124.36 1sdy s LYS 86 Ca 0.28 0.06 -0.06 0.00 0.02 0.00 0.00 55.97 56.28 1sdy s LYS 86 Cb -0.12 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 1sdy s LYS 86 CO 0.21 0.23 0.21 0.95 -0.92 0.00 0.00 175.35 176.03 1sdy s THR 87 N 0.49 5.40 0.00 2.17 -4.23 0.45 -4.43 115.64 115.49 1sdy s THR 87 Ca 0.16 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.76 1sdy s THR 87 Cb -0.13 -3.51 0.00 0.00 1.34 0.00 0.00 72.50 70.20 1sdy s THR 87 CO 0.03 0.43 0.00 -0.90 -0.54 0.00 0.00 174.62 173.65 1sdy n ASP 88 N 1.33 0.00 0.33 3.99 5.75 -0.40 -1.66 116.55 125.89 1sdy n ASP 88 Ca -0.14 -0.94 0.21 0.00 -0.01 0.00 0.00 54.79 53.91 1sdy n ASP 88 Cb 0.53 0.00 1.12 0.00 -1.03 0.00 0.00 41.12 41.74 1sdy n ASP 88 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1sdy h GLU 89 N 0.00 0.00 -0.24 0.11 3.07 -1.92 0.30 114.58 115.91 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 -3.21 2.75 0.00 1.42 3.02 -1.26 -4.81 115.26 113.16 1sdy n ASN 90 Ca -0.03 -1.81 0.00 0.00 -0.03 0.00 0.00 54.58 52.72 1sdy n ASN 90 Cb 0.12 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 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 0.88 0.61 3.84 7.41 0.00 -0.17 -4.65 105.19 113.10 1sdy n GLY 91 Ca 0.12 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 5.37 -0.21 1.61 1.01 -1.26 -2.49 120.40 122.43 1sdy s VAL 92 Ca 0.00 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.38 1sdy s VAL 92 Cb 0.00 -3.50 0.04 0.00 0.00 0.00 0.00 36.38 32.92 1sdy s VAL 92 CO 0.00 0.57 -0.13 0.00 0.00 0.00 0.00 175.10 175.53 1sdy s ALA 93 N -0.73 2.23 -0.04 5.51 0.00 0.34 -1.27 121.76 127.80 1sdy s ALA 93 Ca 0.16 -1.34 -0.00 0.00 0.00 0.00 0.00 51.96 50.79 1sdy s ALA 93 Cb -0.13 -1.32 0.03 0.00 0.00 0.00 0.00 23.12 21.70 1sdy s ALA 93 CO 0.05 -0.77 0.00 0.21 0.00 0.00 0.00 175.76 175.26 1sdy s LYS 94 N 1.30 0.40 0.00 0.00 2.20 -1.26 -0.03 119.74 122.35 1sdy s LYS 94 Ca -0.01 0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.70 1sdy s LYS 94 Cb -0.16 -0.65 0.00 0.00 -1.51 0.00 0.00 37.83 35.50 1sdy s LYS 94 CO -0.09 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.12 1sdy n GLY 95 N 4.52 0.53 3.35 5.54 0.00 -0.54 -5.01 105.19 113.58 1sdy n GLY 95 Ca -0.19 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 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 0.28 -0.33 0.08 1.61 0.01 -1.25 -0.59 113.70 113.51 1sdy s SER 96 Ca 0.00 -0.09 -0.26 0.00 1.31 0.00 0.00 55.95 56.91 1sdy s SER 96 Cb 0.00 0.48 0.08 0.00 0.21 0.00 0.00 66.02 66.80 1sdy s SER 96 CO 0.00 -0.79 0.76 0.72 0.41 0.00 0.00 173.24 174.34 1sdy s PHE 97 N -3.17 -0.41 -0.10 2.43 -0.12 0.46 -4.98 117.98 112.10 1sdy s PHE 97 Ca -0.01 0.23 -0.06 0.00 -0.05 0.00 0.00 56.93 57.04 1sdy s PHE 97 Cb 0.00 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 42.91 1sdy s PHE 97 CO -0.07 -0.71 0.13 0.15 -0.05 0.00 0.00 175.22 174.67 1sdy s LYS 98 N -3.42 3.39 -0.01 1.99 1.02 -1.26 0.01 119.74 121.46 1sdy s LYS 98 Ca 0.04 -0.20 -0.01 0.00 0.02 0.00 0.00 55.97 55.82 1sdy s LYS 98 Cb -0.01 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 1sdy s LYS 98 CO -0.10 0.75 0.03 0.34 -0.92 0.00 0.00 175.35 175.45 1sdy s ASP 99 N -1.19 -0.03 0.00 2.83 -1.08 -0.26 -4.96 116.67 111.98 1sdy s ASP 99 Ca 0.17 0.06 0.20 0.00 -0.52 0.00 0.00 52.55 52.46 1sdy s ASP 99 Cb -0.12 0.05 0.05 0.00 -1.46 0.00 0.00 42.92 41.44 1sdy s ASP 99 CO 0.07 -0.01 1.03 -1.20 0.52 0.00 0.00 175.17 175.58 1sdy n SER 100 N 3.10 2.12 -0.09 -0.34 7.64 -1.26 -1.70 113.62 123.10 1sdy n SER 100 Ca -0.13 -1.56 -0.12 0.00 1.01 0.00 0.00 58.87 58.07 1sdy n SER 100 Cb 0.59 0.32 -0.15 0.00 -1.01 0.00 0.00 64.21 63.97 1sdy n SER 100 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1sdy n LEU 101 N 0.32 0.81 -4.68 -3.43 4.77 -1.26 -4.89 117.00 108.65 1sdy n LEU 101 Ca 0.09 0.06 -0.43 0.00 -0.03 0.00 0.00 56.01 55.71 1sdy n LEU 101 Cb 0.44 0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 1sdy n LEU 101 CO 0.21 0.58 1.00 -0.63 -1.33 0.00 0.00 177.39 177.21 1sdy s ILE 102 N -2.52 4.28 0.10 -0.08 1.01 -1.26 -5.00 121.20 117.73 1sdy s ILE 102 Ca -0.14 1.58 0.06 0.00 0.00 0.00 0.00 60.65 62.15 1sdy s ILE 102 Cb 0.07 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 1sdy s ILE 102 CO 0.79 -0.06 -0.15 -0.54 0.00 0.00 0.00 174.94 174.98 1sdy s LYS 103 N 2.73 0.95 -0.02 2.79 1.02 -1.26 -4.15 119.74 121.80 1sdy s LYS 103 Ca 0.55 -1.12 0.19 0.00 0.02 0.00 0.00 55.97 55.60 1sdy s LYS 103 Cb -0.23 -0.91 -0.27 0.00 -0.52 0.00 0.00 37.83 35.90 1sdy s LYS 103 CO 0.19 0.19 0.50 1.28 -0.92 0.00 0.00 175.35 176.58 1sdy n LEU 104 N 0.87 0.21 -4.51 3.17 4.32 -1.26 -0.23 117.00 119.56 1sdy n LEU 104 Ca -0.18 -0.12 -0.33 0.00 -0.02 0.00 0.00 56.01 55.35 1sdy n LEU 104 Cb 0.56 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.23 1sdy n LEU 104 CO 0.24 0.05 -0.40 -0.63 -1.22 0.00 0.00 177.39 175.44 1sdy s ILE 105 N -3.15 3.53 0.00 -0.08 1.01 -1.26 -4.63 121.20 116.61 1sdy s ILE 105 Ca -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1sdy s ILE 105 Cb 0.12 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 40.13 1sdy s ILE 105 CO 0.77 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.88 1sdy n GLY 106 N 2.71 -2.25 0.29 6.18 0.00 -1.26 -4.41 105.19 106.46 1sdy n GLY 106 Ca -0.18 -2.14 0.02 0.00 0.00 0.00 0.00 46.02 43.73 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 1.85 0.55 -0.64 1.61 0.13 -1.99 -2.42 132.00 131.09 1sdy h PRO 107 Ca 0.00 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1sdy h PRO 107 Cb 0.00 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.02 1sdy h PRO 107 CO 0.00 0.46 0.00 0.25 -0.23 0.00 0.00 178.00 178.48 1sdy n THR 108 N -4.39 2.06 -1.48 1.56 -2.24 -1.26 -5.00 114.28 103.53 1sdy n THR 108 Ca 0.03 -1.18 -0.45 0.00 -2.27 0.00 0.00 64.05 60.18 1sdy n THR 108 Cb 0.14 -0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.28 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 0.85 -0.22 -0.37 3.42 2.88 -0.91 -4.55 113.62 114.72 1sdy n SER 109 Ca 0.25 1.08 0.12 0.00 -1.33 0.00 0.00 58.87 58.99 1sdy n SER 109 Cb 0.96 -1.12 0.27 0.00 -0.75 0.00 0.00 64.21 63.57 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 -0.18 0.00 -1.66 2.46 0.24 0.68 -4.88 118.33 114.99 1sdy n VAL 110 Ca 0.13 -0.19 -0.51 0.00 -2.04 0.00 0.00 64.34 61.73 1sdy n VAL 110 Cb 0.32 0.70 -0.05 0.00 -1.47 0.00 0.00 33.84 33.33 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 -0.31 0.19 -0.44 3.34 0.31 -1.26 -1.20 118.33 118.96 1sdy n VAL 111 Ca 0.12 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1sdy n VAL 111 Cb 0.39 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 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 3.52 0.72 1.40 2.92 0.00 0.06 -4.99 105.19 108.82 1sdy n GLY 112 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.04 0.86 -4.81 1.61 1.74 -0.34 -1.94 116.66 111.75 1sdy n ARG 113 Ca 0.00 -1.13 -0.30 0.00 -0.77 0.00 0.00 57.85 55.65 1sdy n ARG 113 Cb 0.00 -0.08 -0.14 0.00 -1.02 0.00 0.00 32.46 31.22 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 -2.29 3.26 -0.19 0.55 0.01 -1.15 -0.25 113.70 113.64 1sdy s SER 114 Ca 0.22 -0.60 -0.09 0.00 1.31 0.00 0.00 55.95 56.79 1sdy s SER 114 Cb -0.02 -0.31 -0.05 0.00 0.21 0.00 0.00 66.02 65.86 1sdy s SER 114 CO 0.14 0.25 0.11 -0.69 0.41 0.00 0.00 173.24 173.46 1sdy s VAL 115 N -0.86 5.26 -0.03 3.43 1.01 -0.28 -0.30 120.40 128.63 1sdy s VAL 115 Ca 0.12 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.30 1sdy s VAL 115 Cb -0.10 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 1sdy s VAL 115 CO 0.03 0.46 -0.23 -0.69 0.00 0.00 0.00 175.10 174.67 1sdy s VAL 116 N 0.25 1.86 -0.11 2.92 1.01 0.60 -2.07 120.40 124.85 1sdy s VAL 116 Ca 0.07 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 1sdy s VAL 116 Cb -0.11 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 1sdy s VAL 116 CO -0.01 0.52 -0.05 -0.51 0.00 0.00 0.00 175.10 175.05 1sdy s ILE 117 N -0.35 3.78 0.50 2.22 1.10 -0.66 -1.91 121.20 125.88 1sdy s ILE 117 Ca 0.03 -0.42 0.04 0.00 -0.51 0.00 0.00 60.65 59.79 1sdy s ILE 117 Cb -0.11 -2.60 0.02 0.00 0.15 0.00 0.00 42.46 39.92 1sdy s ILE 117 CO 0.01 0.55 0.69 -1.00 -2.11 0.00 0.00 174.94 173.08 1sdy s HIS 118 N -0.20 2.81 -0.28 3.50 3.76 0.37 -3.62 115.29 121.63 1sdy s HIS 118 Ca 0.03 -0.18 0.20 0.00 -0.15 0.00 0.00 55.06 54.96 1sdy s HIS 118 Cb -0.13 -2.60 0.12 0.00 1.11 0.00 0.00 32.58 31.08 1sdy s HIS 118 CO 0.03 -0.69 1.30 0.00 -0.85 0.00 0.00 174.74 174.52 1sdy h ALA 119 N 0.30 0.74 -4.30 -1.40 0.00 -1.43 -3.40 119.26 109.77 1sdy h ALA 119 Ca -0.41 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.09 1sdy h ALA 119 Cb 1.29 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 1sdy h ALA 119 CO 0.49 0.26 -0.14 0.41 0.00 0.00 0.00 179.25 180.27 1sdy n GLY 120 N 1.19 4.01 3.83 0.00 0.00 0.02 -4.96 105.19 109.28 1sdy n GLY 120 Ca 0.01 -2.25 -0.38 0.00 0.00 0.00 0.00 46.02 43.40 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 -2.53 3.94 -0.14 1.61 0.74 -1.23 0.55 119.66 122.61 1sdy s GLN 121 Ca 0.00 0.42 -0.28 0.00 0.05 0.00 0.00 55.36 55.56 1sdy s GLN 121 Cb 0.00 -3.23 -0.01 0.00 1.10 0.00 0.00 33.01 30.87 1sdy s GLN 121 CO 0.00 0.67 0.92 0.34 -0.55 0.00 0.00 175.29 176.67 1sdy s ASP 122 N -1.01 7.11 0.04 6.67 -1.08 -1.26 -3.94 116.67 123.20 1sdy s ASP 122 Ca 0.24 1.37 0.20 0.00 -0.52 0.00 0.00 52.55 53.84 1sdy s ASP 122 Cb -0.17 -2.51 0.84 0.00 -1.46 0.00 0.00 42.92 39.63 1sdy s ASP 122 CO 0.13 -0.42 1.64 -0.90 0.52 0.00 0.00 175.17 176.14 1sdy n ASP 123 N 5.10 0.11 -0.11 -0.34 5.68 0.71 -4.89 116.55 122.82 1sdy n ASP 123 Ca 0.07 0.52 -0.01 0.00 -0.50 0.00 0.00 54.79 54.86 1sdy n ASP 123 Cb 0.49 -0.55 -0.01 0.00 -1.14 0.00 0.00 41.12 39.91 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 -1.62 0.02 0.00 -2.12 4.77 -1.26 -2.86 117.00 113.93 1sdy n LEU 124 Ca 0.04 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1sdy n LEU 124 Cb 0.24 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1sdy n LEU 124 CO 0.19 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1sdy n GLY 125 N -2.33 0.41 1.10 -0.72 0.00 -1.26 -3.52 105.19 98.87 1sdy n GLY 125 Ca -0.01 -1.05 0.08 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.94 3.34 -2.31 1.61 5.02 -1.13 -4.79 118.16 116.96 1sdy n LYS 126 Ca 0.00 -2.77 -0.25 0.00 -2.02 0.00 0.00 58.31 53.26 1sdy n LYS 126 Cb 0.00 -1.83 0.10 0.00 -0.02 0.00 0.00 35.03 33.29 1sdy n LYS 126 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1sdy s GLY 127 N -1.47 1.74 0.00 0.72 0.00 -1.26 -5.02 107.32 102.03 1sdy s GLY 127 Ca 0.42 -1.28 0.22 0.00 0.00 0.00 0.00 44.72 44.09 1sdy s GLY 127 CO 0.13 -0.76 1.23 1.22 0.00 0.00 0.00 173.10 174.93 1sdy n ASP 128 N -3.01 2.95 -4.89 1.64 8.00 -1.26 -4.90 116.55 115.07 1sdy n ASP 128 Ca 0.12 -1.93 -0.21 0.00 0.71 0.00 0.00 54.79 53.48 1sdy n ASP 128 Cb 0.60 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.62 1sdy n ASP 128 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1sdy s THR 129 N -1.74 4.40 0.35 -3.53 -1.32 -1.26 -5.01 115.64 107.52 1sdy s THR 129 Ca 0.28 -1.23 0.20 0.00 -1.21 0.00 0.00 61.69 59.73 1sdy s THR 129 Cb 0.19 -3.47 0.19 0.00 -1.51 0.00 0.00 72.50 67.89 1sdy s THR 129 CO 0.28 -0.28 1.91 1.05 -2.21 0.00 0.00 174.62 175.38 1sdy h GLU 130 N 1.26 0.00 0.00 7.08 4.11 -1.99 0.42 114.58 125.46 1sdy h GLU 130 Ca -0.48 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.88 1sdy h GLU 130 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1sdy h GLU 130 CO 0.59 0.26 -0.32 1.49 0.07 0.00 0.00 179.01 181.09 1sdy h GLU 131 N 0.00 0.00 -0.58 1.06 4.57 -1.99 -1.16 114.58 116.48 1sdy h GLU 131 Ca -0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.09 1sdy h GLU 131 Cb 0.56 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 1sdy h GLU 131 CO 0.03 0.32 0.04 1.03 -1.18 0.00 0.00 179.01 179.25 1sdy h SER 132 N 0.00 0.98 0.79 1.04 0.87 -1.26 -0.26 113.55 115.72 1sdy h SER 132 Ca -0.00 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1sdy h SER 132 Cb 0.64 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1sdy h SER 132 CO 0.04 1.02 0.00 -0.07 -0.53 0.00 0.00 176.83 177.30 1sdy h LEU 133 N 0.90 0.00 0.00 2.23 3.38 -1.18 0.20 115.31 120.84 1sdy h LEU 133 Ca 0.17 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.85 1sdy h LEU 133 Cb 0.50 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1sdy h LEU 133 CO 0.02 0.00 -1.69 0.29 0.09 0.00 0.00 178.44 177.15 1sdy n LYS 134 N -2.73 0.56 0.00 1.13 5.02 -0.59 -0.20 118.16 121.35 1sdy n LYS 134 Ca 0.01 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1sdy n LYS 134 Cb 0.25 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1sdy n LYS 134 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1sdy n THR 135 N -4.38 0.18 -1.05 -0.18 -2.24 -0.15 -4.68 114.28 101.78 1sdy n THR 135 Ca -0.38 -0.27 -0.02 0.00 -2.27 0.00 0.00 64.05 61.11 1sdy n THR 135 Cb 0.72 1.23 -0.01 0.00 -2.10 0.00 0.00 70.33 70.17 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 -0.09 0.42 3.99 3.38 0.00 0.70 -3.26 105.19 110.33 1sdy n GLY 136 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.32 -3.44 0.00 1.61 3.02 -1.25 -0.21 115.26 114.68 1sdy n ASN 137 Ca -0.02 -0.88 0.10 0.00 -0.03 0.00 0.00 54.58 53.76 1sdy n ASN 137 Cb 0.25 -3.47 0.52 0.00 -0.61 0.00 0.00 39.78 36.47 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 -4.52 2.08 0.00 5.41 0.00 -1.20 -4.62 120.51 117.66 1sdy n ALA 138 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1sdy n ALA 138 Cb 0.55 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 0.58 -1.83 3.19 0.00 0.00 -1.26 -0.80 105.19 105.07 1sdy n GLY 139 Ca 0.09 -1.38 -0.27 0.00 0.00 0.00 0.00 46.02 44.47 1sdy n GLY 139 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sdy n PRO 140 N 0.00 -3.64 -3.77 1.61 -0.02 -1.26 -4.63 135.00 123.28 1sdy n PRO 140 Ca 0.00 -1.07 -0.30 0.00 -2.02 0.00 0.00 63.50 60.11 1sdy n PRO 140 Cb 0.00 -1.81 -0.14 0.00 -0.02 0.00 0.00 33.50 31.53 1sdy n PRO 140 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1sdy s ARG 141 N -4.41 1.16 0.23 -0.52 0.52 -1.26 -1.91 118.95 112.77 1sdy s ARG 141 Ca 0.58 -1.71 0.04 0.00 -0.52 0.00 0.00 55.73 54.11 1sdy s ARG 141 Cb -0.12 -2.39 0.24 0.00 0.52 0.00 0.00 34.95 33.20 1sdy s ARG 141 CO 0.51 -1.07 1.56 -1.00 0.02 0.00 0.00 175.30 175.32 1sdy h PRO 142 N 7.29 0.26 -3.11 3.54 0.13 -1.88 -3.45 132.00 134.78 1sdy h PRO 142 Ca -0.06 -0.18 -0.14 0.00 -0.87 0.00 0.00 66.00 64.75 1sdy h PRO 142 Cb 0.97 0.03 -0.22 0.00 0.13 0.00 0.00 31.00 31.90 1sdy h PRO 142 CO 0.50 0.78 -0.35 0.00 -0.23 0.00 0.00 178.00 178.69 1sdy s ALA 143 N -3.79 -0.68 0.29 -0.56 0.00 -1.25 -3.74 121.76 112.02 1sdy s ALA 143 Ca -0.04 0.45 -0.17 0.00 0.00 0.00 0.00 51.96 52.19 1sdy s ALA 143 Cb 0.12 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.11 1sdy s ALA 143 CO 0.80 -0.20 0.65 0.00 0.00 0.00 0.00 175.76 177.00 1sdy s GLY 145 N -2.98 -0.07 0.35 0.00 0.00 -0.88 -1.83 107.32 101.91 1sdy s GLY 145 Ca 0.16 2.50 -0.26 0.00 0.00 0.00 0.00 44.72 47.11 1sdy s GLY 145 CO 0.09 1.18 1.10 0.14 0.00 0.00 0.00 173.10 175.61 1sdy s VAL 146 N -0.89 3.47 -0.29 1.40 1.01 -1.26 -1.12 120.40 122.71 1sdy s VAL 146 Ca 0.03 1.29 -0.24 0.00 0.00 0.00 0.00 61.98 63.06 1sdy s VAL 146 Cb -0.01 -3.75 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 1sdy s VAL 146 CO -0.04 0.16 0.80 -0.63 0.00 0.00 0.00 175.10 175.40 1sdy s ILE 147 N -1.40 4.80 0.28 2.22 1.01 0.65 -4.29 121.20 124.47 1sdy s ILE 147 Ca 0.52 1.30 0.11 0.00 0.00 0.00 0.00 60.65 62.59 1sdy s ILE 147 Cb -0.28 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.00 1sdy s ILE 147 CO 0.36 -0.20 -0.14 -0.83 0.00 0.00 0.00 174.94 174.13 1sdy s GLY 148 N 1.54 1.85 0.31 6.18 0.00 0.16 -0.76 107.32 116.60 1sdy s GLY 148 Ca 0.33 -1.84 -0.29 0.00 0.00 0.00 0.00 44.72 42.93 1sdy s GLY 148 CO 0.11 -1.91 1.15 1.08 0.00 0.00 0.00 173.10 173.53 1sdy s LEU 149 N -3.56 4.48 0.00 0.66 1.02 -1.26 0.12 118.68 120.13 1sdy s LEU 149 Ca 0.31 2.36 0.00 0.00 0.02 0.00 0.00 54.13 56.82 1sdy s LEU 149 Cb -0.05 -3.69 0.00 0.00 0.02 0.00 0.00 46.19 42.47 1sdy s LEU 149 CO 0.16 -0.29 0.00 1.07 0.02 0.00 0.00 176.35 177.31 1sdy n THR 150 N 0.96 0.00 0.00 5.49 5.66 -0.75 -4.84 114.28 120.80 1sdy n THR 150 Ca -0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1sdy n THR 150 Cb 0.44 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 1sdy n THR 150 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82