#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ouw s PRO 4 N 0.00 3.09 0.07 5.55 0.04 -1.26 -5.06 135.00 137.43 1ouw s PRO 4 Ca 0.00 1.44 0.02 0.00 0.04 0.00 0.00 61.00 62.50 1ouw s PRO 4 Cb 0.00 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1ouw s PRO 4 CO 0.00 -1.02 -0.07 -1.64 0.04 0.00 0.00 177.00 174.31 1ouw s MET 5 N -3.78 0.66 0.48 4.56 -1.94 -1.26 -5.14 119.30 112.87 1ouw s MET 5 Ca 0.68 -1.03 -0.23 0.00 -1.71 0.00 0.00 55.69 53.41 1ouw s MET 5 Cb -0.21 -0.21 -0.07 0.00 2.01 0.00 0.00 34.83 36.35 1ouw s MET 5 CO 0.35 0.01 1.20 -0.51 -0.01 0.00 0.00 175.02 176.06 1ouw s ASP 6 N -2.29 6.01 0.17 3.03 1.01 -1.26 -4.93 116.67 118.41 1ouw s ASP 6 Ca 0.00 2.39 -0.31 0.00 0.71 0.00 0.00 52.55 55.34 1ouw s ASP 6 Cb -0.02 -2.61 -0.09 0.00 1.01 0.00 0.00 42.92 41.21 1ouw s ASP 6 CO -0.03 -1.04 1.46 -0.89 0.21 0.00 0.00 175.17 174.89 1ouw s THR 7 N -1.50 2.90 -0.03 -1.27 2.01 -1.16 -4.69 115.64 111.90 1ouw s THR 7 Ca 0.65 0.68 -0.17 0.00 0.31 0.00 0.00 61.69 63.16 1ouw s THR 7 Cb -0.31 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 68.72 1ouw s THR 7 CO 0.37 0.07 0.46 -0.63 -0.69 0.00 0.00 174.62 174.20 1ouw s ILE 8 N 0.78 5.03 -0.05 1.82 1.01 -1.26 -0.79 121.20 127.74 1ouw s ILE 8 Ca 0.65 0.95 0.05 0.00 0.00 0.00 0.00 60.65 62.30 1ouw s ILE 8 Cb -0.40 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 1ouw s ILE 8 CO 0.34 0.49 -0.20 -0.44 0.00 0.00 0.00 174.94 175.13 1ouw s SER 9 N -0.50 3.51 0.28 3.58 0.01 -0.24 -4.98 113.70 115.35 1ouw s SER 9 Ca 0.25 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.15 1ouw s SER 9 Cb -0.17 -0.73 0.00 0.00 0.21 0.00 0.00 66.02 65.34 1ouw s SER 9 CO 0.13 0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.70 1ouw n GLY 10 N 2.56 0.54 3.73 3.44 0.00 -1.26 -1.29 105.19 112.92 1ouw n GLY 10 Ca -0.17 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 1ouw n GLY 10 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ouw s PRO 11 N 0.00 2.55 0.08 1.61 0.02 -1.26 -4.93 135.00 133.07 1ouw s PRO 11 Ca 0.00 1.92 -0.02 0.00 0.02 0.00 0.00 61.00 62.92 1ouw s PRO 11 Cb 0.00 -1.86 -0.05 0.00 0.02 0.00 0.00 34.50 32.61 1ouw s PRO 11 CO 0.00 -1.56 0.27 -1.58 -0.33 0.00 0.00 177.00 173.81 1ouw s TRP 12 N -1.60 3.51 0.00 6.54 0.51 0.44 -4.88 118.94 123.46 1ouw s TRP 12 Ca 0.79 0.39 0.00 0.00 -2.12 0.00 0.00 56.10 55.16 1ouw s TRP 12 Cb -0.33 -1.87 0.00 0.00 -0.81 0.00 0.00 33.47 30.45 1ouw s TRP 12 CO 0.39 0.54 0.00 0.41 -0.51 0.00 0.00 176.95 177.78 1ouw n GLY 13 N 0.31 0.20 3.49 0.98 0.00 -1.26 -1.00 105.19 107.91 1ouw n GLY 13 Ca -0.05 -1.81 -0.24 0.00 0.00 0.00 0.00 46.02 43.92 1ouw n GLY 13 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ouw s ASN 14 N -4.00 2.63 0.00 1.61 -0.87 0.17 -4.98 114.94 109.51 1ouw s ASN 14 Ca 0.00 -1.51 0.22 0.00 -1.57 0.00 0.00 52.86 49.99 1ouw s ASN 14 Cb 0.00 0.19 0.53 0.00 -0.02 0.00 0.00 41.25 41.95 1ouw s ASN 14 CO 0.00 -0.76 1.45 0.59 -2.57 0.00 0.00 177.10 175.82 1ouw n ASN 15 N -0.97 3.29 -3.74 -1.22 5.03 -1.26 -4.32 115.26 112.07 1ouw n ASN 15 Ca -0.05 -1.97 -0.30 0.00 0.87 0.00 0.00 54.58 53.13 1ouw n ASN 15 Cb 0.66 -0.32 0.24 0.00 -1.02 0.00 0.00 39.78 39.34 1ouw n ASN 15 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1ouw s GLY 16 N -1.28 1.64 0.00 7.41 0.00 -1.26 -4.94 107.32 108.89 1ouw s GLY 16 Ca 0.40 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1ouw s GLY 16 CO 0.30 -0.20 0.00 0.61 0.00 0.00 0.00 173.10 173.81 1ouw n GLY 17 N -1.63 -1.44 3.64 0.20 0.00 -1.26 -4.44 105.19 100.26 1ouw n GLY 17 Ca 0.15 -1.19 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 1ouw n GLY 17 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ouw s ASN 18 N -4.00 4.90 0.43 1.61 0.01 0.68 -4.74 114.94 113.84 1ouw s ASN 18 Ca 0.00 -0.07 -0.26 0.00 -0.71 0.00 0.00 52.86 51.82 1ouw s ASN 18 Cb 0.00 -1.22 -0.09 0.00 0.41 0.00 0.00 41.25 40.35 1ouw s ASN 18 CO 0.00 0.28 1.44 0.33 -1.51 0.00 0.00 177.10 177.65 1ouw n PHE 19 N 1.47 2.76 -4.08 2.20 7.35 -1.26 -0.83 117.46 125.07 1ouw n PHE 19 Ca -0.15 0.44 -0.08 0.00 -0.76 0.00 0.00 57.45 56.90 1ouw n PHE 19 Cb 0.53 -2.48 -0.10 0.00 0.35 0.00 0.00 39.48 37.78 1ouw n PHE 19 CO 0.00 0.00 0.00 1.67 -0.76 0.00 0.00 176.76 177.67 1ouw s TRP 20 N -1.17 0.54 -0.20 -5.13 1.48 -0.36 -4.87 118.94 109.23 1ouw s TRP 20 Ca 0.59 -0.92 -0.18 0.00 -1.06 0.00 0.00 56.10 54.54 1ouw s TRP 20 Cb -0.46 -0.38 0.05 0.00 -1.16 0.00 0.00 33.47 31.53 1ouw s TRP 20 CO 0.59 -0.29 0.52 0.45 -4.06 0.00 0.00 176.95 174.16 1ouw s SER 21 N -2.61 -0.55 -0.27 -2.66 0.15 -1.26 -1.33 113.70 105.17 1ouw s SER 21 Ca 0.03 1.05 -0.01 0.00 0.70 0.00 0.00 55.95 57.72 1ouw s SER 21 Cb 0.03 1.06 0.14 0.00 -1.71 0.00 0.00 66.02 65.54 1ouw s SER 21 CO -0.07 -0.18 0.38 0.12 1.20 0.00 0.00 173.24 174.68 1ouw s PHE 22 N 0.37 -0.84 -0.37 3.44 5.36 0.32 -5.00 117.98 121.26 1ouw s PHE 22 Ca -0.01 0.51 0.01 0.00 -0.96 0.00 0.00 56.93 56.48 1ouw s PHE 22 Cb -0.04 -0.11 0.12 0.00 -0.34 0.00 0.00 43.02 42.65 1ouw s PHE 22 CO -0.01 -0.84 0.17 0.50 -1.46 0.00 0.00 175.22 173.59 1ouw s ARG 23 N 2.52 0.98 0.59 10.12 3.00 -1.26 -1.02 118.95 133.87 1ouw s ARG 23 Ca 0.11 -1.55 -0.09 0.00 -1.00 0.00 0.00 55.73 53.20 1ouw s ARG 23 Cb -0.14 -2.10 -0.03 0.00 0.00 0.00 0.00 34.95 32.68 1ouw s ARG 23 CO -0.23 -1.09 0.96 -1.25 0.00 0.00 0.00 175.30 173.69 1ouw s PRO 24 N 0.96 3.42 0.27 5.12 0.04 -1.26 -4.99 135.00 138.57 1ouw s PRO 24 Ca 0.14 0.50 0.10 0.00 0.04 0.00 0.00 61.00 61.78 1ouw s PRO 24 Cb -0.21 -2.17 0.34 0.00 0.04 0.00 0.00 34.50 32.50 1ouw s PRO 24 CO -0.10 -0.55 1.60 -0.39 0.04 0.00 0.00 177.00 177.60 1ouw h VAL 25 N -0.21 1.45 -0.89 -0.36 -1.51 -1.99 -3.45 116.25 109.28 1ouw h VAL 25 Ca -0.45 -2.15 -0.49 0.00 -1.23 0.00 0.00 66.70 62.38 1ouw h VAL 25 Cb 1.21 2.16 0.02 0.00 -2.13 0.00 0.00 31.29 32.54 1ouw h VAL 25 CO 0.62 0.61 -0.16 0.20 -1.23 0.00 0.00 177.57 177.62 1ouw s ASN 26 N -6.84 5.14 0.32 4.19 0.01 -1.26 -5.06 114.94 111.43 1ouw s ASN 26 Ca -0.01 -0.82 -0.29 0.00 -0.71 0.00 0.00 52.86 51.03 1ouw s ASN 26 Cb 0.13 0.13 -0.10 0.00 0.41 0.00 0.00 41.25 41.81 1ouw s ASN 26 CO 0.76 -1.20 1.30 -0.75 -1.51 0.00 0.00 177.10 175.71 1ouw s LYS 27 N -4.55 4.37 -0.27 -0.60 2.20 -1.26 -4.95 119.74 114.67 1ouw s LYS 27 Ca 0.57 2.19 -0.29 0.00 -0.36 0.00 0.00 55.97 58.08 1ouw s LYS 27 Cb -0.06 -3.09 -0.01 0.00 -1.51 0.00 0.00 37.83 33.16 1ouw s LYS 27 CO 0.36 -0.18 1.48 0.42 -0.36 0.00 0.00 175.35 177.06 1ouw s ILE 28 N -0.99 3.89 -0.52 5.43 1.01 -1.26 -4.22 121.20 124.54 1ouw s ILE 28 Ca 0.50 0.99 0.05 0.00 0.00 0.00 0.00 60.65 62.19 1ouw s ILE 28 Cb -0.39 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.16 1ouw s ILE 28 CO 0.51 -0.41 0.51 -0.46 0.00 0.00 0.00 174.94 175.09 1ouw n ASN 29 N 8.20 1.03 -3.80 3.58 6.94 -0.75 -4.85 115.26 125.61 1ouw n ASN 29 Ca 0.17 -1.02 -0.13 0.00 -0.02 0.00 0.00 54.58 53.59 1ouw n ASN 29 Cb 0.46 0.34 -0.12 0.00 -2.36 0.00 0.00 39.78 38.10 1ouw n ASN 29 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 1ouw s GLN 30 N -0.79 0.22 -0.03 -3.83 0.74 -1.08 -0.97 119.66 113.92 1ouw s GLN 30 Ca 0.05 0.28 0.01 0.00 0.05 0.00 0.00 55.36 55.75 1ouw s GLN 30 Cb 0.04 0.09 0.01 0.00 1.10 0.00 0.00 33.01 34.26 1ouw s GLN 30 CO 0.11 -0.03 -0.05 0.42 -0.55 0.00 0.00 175.29 175.19 1ouw s ILE 31 N 0.17 0.52 -0.15 -2.34 1.01 -0.53 -1.26 121.20 118.63 1ouw s ILE 31 Ca -0.01 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.49 1ouw s ILE 31 Cb -0.02 -0.52 0.00 0.00 0.01 0.00 0.00 42.46 41.93 1ouw s ILE 31 CO -0.00 0.20 -0.17 -0.69 0.00 0.00 0.00 174.94 174.28 1ouw s VAL 32 N 0.61 2.52 -0.26 2.92 1.01 -0.14 -0.55 120.40 126.51 1ouw s VAL 32 Ca -0.08 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 1ouw s VAL 32 Cb -0.11 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 1ouw s VAL 32 CO 0.00 0.53 0.18 -0.63 0.00 0.00 0.00 175.10 175.18 1ouw s ILE 33 N 0.76 5.33 -0.14 2.22 1.09 0.35 -0.72 121.20 130.09 1ouw s ILE 33 Ca -0.07 0.18 -0.07 0.00 -1.10 0.00 0.00 60.65 59.60 1ouw s ILE 33 Cb -0.16 -3.52 -0.04 0.00 -1.06 0.00 0.00 42.46 37.68 1ouw s ILE 33 CO 0.00 0.29 0.10 -0.44 -0.10 0.00 0.00 174.94 174.80 1ouw s SER 34 N 1.45 6.06 0.16 3.58 0.01 -0.29 -1.23 113.70 123.43 1ouw s SER 34 Ca 0.07 0.31 0.07 0.00 1.31 0.00 0.00 55.95 57.72 1ouw s SER 34 Cb -0.15 -1.97 -0.04 0.00 0.21 0.00 0.00 66.02 64.07 1ouw s SER 34 CO 0.08 0.32 -0.02 -0.31 0.41 0.00 0.00 173.24 173.72 1ouw s TYR 35 N -0.52 2.83 0.23 2.43 2.02 0.26 -0.68 117.35 123.90 1ouw s TYR 35 Ca 0.12 -0.14 0.02 0.00 -0.37 0.00 0.00 57.07 56.70 1ouw s TYR 35 Cb -0.12 -1.39 -0.05 0.00 -0.40 0.00 0.00 41.96 40.00 1ouw s TYR 35 CO 0.02 0.51 0.04 0.20 -1.57 0.00 0.00 175.55 174.74 1ouw s GLY 36 N -2.80 1.54 0.00 0.71 0.00 -0.24 -1.08 107.32 105.45 1ouw s GLY 36 Ca 0.26 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.22 1ouw s GLY 36 CO 0.18 -1.60 0.00 0.61 0.00 0.00 0.00 173.10 172.28 1ouw n GLY 37 N -0.39 0.47 2.61 0.20 0.00 -1.26 -3.71 105.19 103.11 1ouw n GLY 37 Ca -0.03 -0.40 -0.05 0.00 0.00 0.00 0.00 46.02 45.54 1ouw n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ouw n GLY 38 N -2.98 0.60 1.59 -0.02 0.00 -1.26 -4.95 105.19 98.17 1ouw n GLY 38 Ca 0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 1ouw n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ouw n GLY 39 N -0.50 3.56 2.62 -0.02 0.00 -1.24 -5.06 105.19 104.55 1ouw n GLY 39 Ca -0.05 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 1ouw n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ouw n ASN 40 N -2.14 7.06 -4.44 1.61 4.13 -1.26 -4.24 115.26 115.97 1ouw n ASN 40 Ca 0.01 -3.15 -0.44 0.00 1.68 0.00 0.00 54.58 52.69 1ouw n ASN 40 Cb 0.30 -1.39 -0.08 0.00 -1.54 0.00 0.00 39.78 37.06 1ouw n ASN 40 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1ouw s ASN 41 N 0.44 6.17 0.22 6.41 0.01 -1.24 -2.98 114.94 123.97 1ouw s ASN 41 Ca 0.49 -0.95 -0.31 0.00 -0.71 0.00 0.00 52.86 51.38 1ouw s ASN 41 Cb 0.15 -2.21 -0.11 0.00 0.41 0.00 0.00 41.25 39.48 1ouw s ASN 41 CO -0.06 -0.64 1.67 -2.84 -1.51 0.00 0.00 177.10 173.72 1ouw s PRO 42 N 2.01 4.14 0.00 -0.60 0.02 -1.26 -1.07 135.00 138.23 1ouw s PRO 42 Ca 0.09 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.67 1ouw s PRO 42 Cb -0.20 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.25 1ouw s PRO 42 CO 0.11 -0.70 0.00 0.44 -0.33 0.00 0.00 177.00 176.52 1ouw n ILE 43 N 3.54 0.00 -3.66 2.83 -5.35 0.14 -4.73 119.36 112.13 1ouw n ILE 43 Ca 0.14 -0.10 -0.14 0.00 -0.27 0.00 0.00 62.75 62.39 1ouw n ILE 43 Cb 0.36 0.56 -0.07 0.00 -1.74 0.00 0.00 39.64 38.76 1ouw n ILE 43 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ouw s ALA 44 N -1.56 -1.08 -0.02 -1.28 0.00 -1.13 -1.39 121.76 115.29 1ouw s ALA 44 Ca 0.00 0.45 0.05 0.00 0.00 0.00 0.00 51.96 52.46 1ouw s ALA 44 Cb 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.38 1ouw s ALA 44 CO 0.00 -0.42 -0.17 -0.51 0.00 0.00 0.00 175.76 174.66 1ouw s LEU 45 N -1.80 1.98 -0.14 0.00 1.43 0.01 -1.14 118.68 119.02 1ouw s LEU 45 Ca -0.07 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1ouw s LEU 45 Cb -0.01 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.29 1ouw s LEU 45 CO 0.00 0.19 -0.19 -0.89 0.23 0.00 0.00 176.35 175.69 1ouw s THR 46 N -0.23 2.39 -0.12 5.49 2.01 0.10 -0.95 115.64 124.34 1ouw s THR 46 Ca 0.03 -0.87 -0.00 0.00 0.31 0.00 0.00 61.69 61.15 1ouw s THR 46 Cb -0.09 -1.98 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 1ouw s THR 46 CO 0.00 0.53 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.00 1ouw s PHE 47 N 0.70 2.84 0.06 4.92 0.08 -0.48 -0.96 117.98 125.14 1ouw s PHE 47 Ca -0.08 -0.44 0.03 0.00 0.12 0.00 0.00 56.93 56.55 1ouw s PHE 47 Cb -0.16 -1.81 -0.03 0.00 -0.57 0.00 0.00 43.02 40.45 1ouw s PHE 47 CO 0.01 -0.06 -0.09 -1.54 -0.10 0.00 0.00 175.22 173.44 1ouw s SER 48 N 0.06 1.08 -0.07 1.36 1.04 -0.39 -1.65 113.70 115.14 1ouw s SER 48 Ca -0.04 -0.65 -0.01 0.00 0.48 0.00 0.00 55.95 55.72 1ouw s SER 48 Cb -0.14 0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.03 1ouw s SER 48 CO 0.04 -0.23 0.01 -0.55 0.98 0.00 0.00 173.24 173.49 1ouw s SER 49 N -1.91 1.55 0.43 7.02 0.15 -0.05 -1.81 113.70 119.08 1ouw s SER 49 Ca -0.04 -0.07 -0.07 0.00 0.70 0.00 0.00 55.95 56.47 1ouw s SER 49 Cb -0.07 -0.42 -0.05 0.00 -1.71 0.00 0.00 66.02 63.77 1ouw s SER 49 CO -0.00 -0.20 0.74 0.42 1.20 0.00 0.00 173.24 175.40 1ouw s THR 50 N 1.98 4.89 0.19 6.45 -4.23 -1.26 -1.28 115.64 122.39 1ouw s THR 50 Ca 0.05 0.29 0.07 0.00 -1.18 0.00 0.00 61.69 60.92 1ouw s THR 50 Cb -0.12 -3.81 -0.05 0.00 1.34 0.00 0.00 72.50 69.87 1ouw s THR 50 CO -0.05 -0.66 -0.14 -0.54 -0.54 0.00 0.00 174.62 172.68 1ouw s LYS 51 N -4.28 1.27 0.61 3.99 1.02 -0.43 -4.75 119.74 117.17 1ouw s LYS 51 Ca 0.48 -1.54 0.35 0.00 0.02 0.00 0.00 55.97 55.28 1ouw s LYS 51 Cb -0.10 -1.06 1.97 0.00 -0.52 0.00 0.00 37.83 38.12 1ouw s LYS 51 CO 0.38 0.18 2.26 0.00 -0.92 0.00 0.00 175.35 177.25 1ouw h ALA 52 N 2.70 1.28 -0.40 5.17 0.00 -2.00 -0.36 119.26 125.64 1ouw h ALA 52 Ca -0.38 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 54.63 1ouw h ALA 52 Cb 1.21 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1ouw h ALA 52 CO 0.61 0.02 0.41 0.22 0.00 0.00 0.00 179.25 180.51 1ouw h ASP 53 N 0.00 0.00 0.00 0.00 1.82 -2.04 -3.46 116.42 112.74 1ouw h ASP 53 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1ouw h ASP 53 Cb 0.08 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.09 1ouw h ASP 53 CO 0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 1ouw n GLY 54 N -1.50 3.17 3.71 -0.78 0.00 -0.15 -5.06 105.19 104.58 1ouw n GLY 54 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1ouw n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ouw s SER 55 N -0.86 2.95 -0.24 1.61 1.04 -1.26 -4.75 113.70 112.19 1ouw s SER 55 Ca 0.00 1.19 -0.10 0.00 0.48 0.00 0.00 55.95 57.52 1ouw s SER 55 Cb 0.00 -1.85 0.10 0.00 0.10 0.00 0.00 66.02 64.37 1ouw s SER 55 CO 0.00 -2.93 0.54 -0.75 0.98 0.00 0.00 173.24 171.09 1ouw s LYS 56 N -5.02 0.49 0.05 4.02 2.20 -1.26 -1.31 119.74 118.91 1ouw s LYS 56 Ca 0.65 1.17 -0.18 0.00 -0.36 0.00 0.00 55.97 57.25 1ouw s LYS 56 Cb -0.18 0.42 -0.06 0.00 -1.51 0.00 0.00 37.83 36.50 1ouw s LYS 56 CO 0.57 -0.20 0.53 -0.51 -0.36 0.00 0.00 175.35 175.37 1ouw s ASP 57 N 2.33 7.00 -0.01 1.43 1.01 -0.40 -4.93 116.67 123.10 1ouw s ASP 57 Ca -0.06 1.18 -0.24 0.00 0.71 0.00 0.00 52.55 54.14 1ouw s ASP 57 Cb -0.10 -2.33 0.05 0.00 1.01 0.00 0.00 42.92 41.55 1ouw s ASP 57 CO -0.16 0.29 0.53 0.28 0.21 0.00 0.00 175.17 176.32 1ouw s THR 58 N -1.10 0.02 -0.02 -1.27 -1.32 -1.26 -0.87 115.64 109.84 1ouw s THR 58 Ca 0.28 -0.20 -0.07 0.00 -1.21 0.00 0.00 61.69 60.48 1ouw s THR 58 Cb -0.19 -0.90 0.01 0.00 -1.51 0.00 0.00 72.50 69.91 1ouw s THR 58 CO 0.17 -0.11 0.15 -0.51 -2.21 0.00 0.00 174.62 172.12 1ouw s ILE 59 N -1.66 0.06 -0.07 5.08 2.07 -0.66 -5.01 121.20 121.01 1ouw s ILE 59 Ca -0.10 -0.51 0.04 0.00 -1.41 0.00 0.00 60.65 58.67 1ouw s ILE 59 Cb -0.01 -0.40 0.00 0.00 0.13 0.00 0.00 42.46 42.18 1ouw s ILE 59 CO 0.05 -0.28 -0.19 -0.89 -1.91 0.00 0.00 174.94 171.72 1ouw s THR 60 N -1.01 1.61 0.02 4.00 2.01 -1.26 -1.38 115.64 119.62 1ouw s THR 60 Ca -0.11 -0.78 0.05 0.00 0.31 0.00 0.00 61.69 61.16 1ouw s THR 60 Cb -0.06 -1.40 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 1ouw s THR 60 CO 0.01 0.46 -0.15 0.68 -0.69 0.00 0.00 174.62 174.93 1ouw s VAL 61 N 0.30 1.22 0.00 3.82 -7.23 -0.13 -5.00 120.40 113.39 1ouw s VAL 61 Ca -0.12 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 1ouw s VAL 61 Cb -0.15 -1.06 0.00 0.00 0.56 0.00 0.00 36.38 35.73 1ouw s VAL 61 CO 0.05 0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.63 1ouw n GLY 62 N 2.26 -2.38 2.25 2.32 0.00 -1.26 -0.81 105.19 107.58 1ouw n GLY 62 Ca -0.16 -1.57 -0.10 0.00 0.00 0.00 0.00 46.02 44.19 1ouw n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ouw n GLY 63 N -0.87 0.66 0.01 -0.02 0.00 -0.22 -4.80 105.19 99.95 1ouw n GLY 63 Ca 0.00 -0.54 0.15 0.00 0.00 0.00 0.00 46.02 45.63 1ouw n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ouw n GLY 64 N -1.47 -1.10 1.83 -0.02 0.00 -0.61 -4.87 105.19 98.97 1ouw n GLY 64 Ca -0.11 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 1ouw n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ouw n GLY 65 N 1.14 3.07 0.00 -0.02 0.00 -1.26 -4.77 105.19 103.35 1ouw n GLY 65 Ca 0.19 -2.24 0.14 0.00 0.00 0.00 0.00 46.02 44.11 1ouw n GLY 65 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ouw n PRO 66 N -1.04 0.31 -1.66 1.61 -0.04 -1.26 -4.90 135.00 128.02 1ouw n PRO 66 Ca -0.03 0.01 -0.47 0.00 -0.04 0.00 0.00 63.50 62.98 1ouw n PRO 66 Cb 0.31 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.22 1ouw n PRO 66 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ouw n ASP 67 N -1.34 3.00 -4.77 3.54 8.00 -1.26 -4.93 116.55 118.78 1ouw n ASP 67 Ca 0.12 1.08 -0.36 0.00 0.71 0.00 0.00 54.79 56.34 1ouw n ASP 67 Cb 0.26 -1.40 -0.01 0.00 -0.02 0.00 0.00 41.12 39.95 1ouw n ASP 67 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1ouw s SER 68 N 1.14 6.07 -0.36 -2.24 1.04 -1.26 -4.99 113.70 113.10 1ouw s SER 68 Ca 0.80 2.21 -0.25 0.00 0.48 0.00 0.00 55.95 59.19 1ouw s SER 68 Cb -0.70 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 62.84 1ouw s SER 68 CO 0.40 -0.98 0.89 -0.63 0.98 0.00 0.00 173.24 173.90 1ouw s ILE 69 N -1.67 4.63 -2.49 -1.02 -1.09 -1.26 -4.33 121.20 113.98 1ouw s ILE 69 Ca 0.67 1.15 0.23 0.00 -2.23 0.00 0.00 60.65 60.47 1ouw s ILE 69 Cb -0.25 -4.29 0.09 0.00 -1.58 0.00 0.00 42.46 36.43 1ouw s ILE 69 CO 0.30 -0.48 1.16 0.35 -1.23 0.00 0.00 174.94 175.04 1ouw n THR 70 N 5.89 0.00 -3.63 2.92 -2.24 -0.24 -4.99 114.28 111.99 1ouw n THR 70 Ca 0.06 -0.39 -0.03 0.00 -2.27 0.00 0.00 64.05 61.42 1ouw n THR 70 Cb 0.48 1.38 -0.02 0.00 -2.10 0.00 0.00 70.33 70.06 1ouw n THR 70 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ouw s GLY 71 N -2.19 -0.20 0.05 3.38 0.00 -1.23 -4.89 107.32 102.25 1ouw s GLY 71 Ca 0.23 1.92 -0.01 0.00 0.00 0.00 0.00 44.72 46.86 1ouw s GLY 71 CO 0.42 0.67 -0.02 -0.51 0.00 0.00 0.00 173.10 173.66 1ouw s THR 72 N -2.03 0.22 0.03 0.90 -4.23 -1.26 -0.58 115.64 108.69 1ouw s THR 72 Ca 0.10 -1.80 0.04 0.00 -1.18 0.00 0.00 61.69 58.85 1ouw s THR 72 Cb -0.01 -1.53 -0.02 0.00 1.34 0.00 0.00 72.50 72.28 1ouw s THR 72 CO -0.04 -0.98 -0.12 -1.61 -0.54 0.00 0.00 174.62 171.34 1ouw s GLU 73 N -3.92 0.80 -0.04 3.99 2.02 -0.37 -5.00 118.70 116.18 1ouw s GLU 73 Ca 0.07 -0.67 0.07 0.00 0.02 0.00 0.00 54.97 54.46 1ouw s GLU 73 Cb 0.08 -0.76 -0.01 0.00 0.10 0.00 0.00 34.13 33.54 1ouw s GLU 73 CO -0.10 0.19 -0.24 1.41 0.02 0.00 0.00 175.26 176.54 1ouw s MET 74 N -1.05 2.24 -0.21 1.61 -2.45 -1.26 -0.49 119.30 117.68 1ouw s MET 74 Ca -0.00 -0.87 -0.05 0.00 -1.25 0.00 0.00 55.69 53.52 1ouw s MET 74 Cb -0.07 -2.01 -0.02 0.00 1.25 0.00 0.00 34.83 33.98 1ouw s MET 74 CO 0.01 0.44 -0.01 0.08 1.05 0.00 0.00 175.02 176.58 1ouw s VAL 75 N -0.33 3.76 -0.22 10.11 1.01 0.29 -4.99 120.40 130.02 1ouw s VAL 75 Ca 0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1ouw s VAL 75 Cb -0.12 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.56 1ouw s VAL 75 CO 0.02 0.41 -0.08 0.20 0.00 0.00 0.00 175.10 175.65 1ouw s ASN 76 N 1.28 4.08 -0.23 3.32 0.01 -1.26 -1.45 114.94 120.68 1ouw s ASN 76 Ca 0.04 -0.55 -0.11 0.00 -0.71 0.00 0.00 52.86 51.52 1ouw s ASN 76 Cb -0.15 -1.67 -0.05 0.00 0.41 0.00 0.00 41.25 39.79 1ouw s ASN 76 CO 0.00 -0.04 0.18 -0.63 -1.51 0.00 0.00 177.10 175.10 1ouw s ILE 77 N 1.41 5.35 0.89 0.60 1.01 -0.14 -5.02 121.20 125.29 1ouw s ILE 77 Ca 0.04 0.23 -0.11 0.00 0.00 0.00 0.00 60.65 60.82 1ouw s ILE 77 Cb -0.15 -3.52 0.18 0.00 0.01 0.00 0.00 42.46 38.98 1ouw s ILE 77 CO -0.05 0.34 1.22 -0.83 0.00 0.00 0.00 174.94 175.62 1ouw s GLY 78 N 1.02 1.78 0.17 6.18 0.00 -1.26 -4.84 107.32 110.37 1ouw s GLY 78 Ca 0.09 -1.41 -0.15 0.00 0.00 0.00 0.00 44.72 43.24 1ouw s GLY 78 CO 0.04 -0.69 1.70 -0.84 0.00 0.00 0.00 173.10 173.32 1ouw h THR 79 N -1.29 0.72 -0.55 0.90 2.02 -2.01 -1.23 112.91 111.48 1ouw h THR 79 Ca -0.41 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1ouw h THR 79 Cb 1.24 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1ouw h THR 79 CO 0.38 0.03 0.00 0.47 0.37 0.00 0.00 175.52 176.76 1ouw n ASP 80 N -5.17 2.93 -4.78 4.18 8.00 -1.26 -4.93 116.55 115.52 1ouw n ASP 80 Ca 0.03 -2.00 -0.33 0.00 0.71 0.00 0.00 54.79 53.20 1ouw n ASP 80 Cb 0.21 -0.36 -0.07 0.00 -0.02 0.00 0.00 41.12 40.87 1ouw n ASP 80 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1ouw s GLU 81 N -1.27 3.10 -0.09 -1.24 2.12 -0.46 -4.95 118.70 115.90 1ouw s GLU 81 Ca 0.37 -0.45 -0.20 0.00 0.36 0.00 0.00 54.97 55.05 1ouw s GLU 81 Cb 0.19 -2.88 0.05 0.00 0.26 0.00 0.00 34.13 31.74 1ouw s GLU 81 CO 0.25 0.66 0.48 1.52 -0.54 0.00 0.00 175.26 177.64 1ouw s TYR 82 N -1.15 -0.45 0.25 5.30 1.13 -1.26 -4.61 117.35 116.56 1ouw s TYR 82 Ca 0.21 0.89 -0.30 0.00 -1.41 0.00 0.00 57.07 56.46 1ouw s TYR 82 Cb -0.12 0.22 -0.10 0.00 -1.10 0.00 0.00 41.96 40.85 1ouw s TYR 82 CO 0.12 -0.41 1.51 -0.51 -2.51 0.00 0.00 175.55 173.75 1ouw s LEU 83 N -0.73 4.37 0.00 -3.49 1.43 -1.26 -2.12 118.68 116.88 1ouw s LEU 83 Ca -0.08 2.74 0.00 0.00 -1.03 0.00 0.00 54.13 55.76 1ouw s LEU 83 Cb -0.03 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.57 1ouw s LEU 83 CO 0.05 -0.78 0.00 0.35 0.23 0.00 0.00 176.35 176.19 1ouw n THR 84 N 2.58 0.00 -3.58 5.49 -2.24 0.39 -1.08 114.28 115.84 1ouw n THR 84 Ca 0.08 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.76 1ouw n THR 84 Cb 0.39 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.36 1ouw n THR 84 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ouw s GLY 85 N -2.24 -0.39 0.11 3.38 0.00 -0.94 -4.58 107.32 102.67 1ouw s GLY 85 Ca 0.00 0.16 0.03 0.00 0.00 0.00 0.00 44.72 44.91 1ouw s GLY 85 CO 0.00 -0.01 -0.09 -0.26 0.00 0.00 0.00 173.10 172.74 1ouw s ILE 86 N -3.81 0.92 0.21 0.90 -4.36 -1.26 -0.84 121.20 112.96 1ouw s ILE 86 Ca 0.04 -1.82 -0.14 0.00 -0.26 0.00 0.00 60.65 58.47 1ouw s ILE 86 Cb -0.02 -1.56 0.01 0.00 1.25 0.00 0.00 42.46 42.14 1ouw s ILE 86 CO -0.08 -0.69 0.46 -0.94 0.24 0.00 0.00 174.94 173.93 1ouw s SER 87 N -2.79 -0.13 0.00 4.36 1.04 -0.94 -0.91 113.70 114.33 1ouw s SER 87 Ca 0.10 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.79 1ouw s SER 87 Cb 0.01 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1ouw s SER 87 CO -0.01 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.76 1ouw n GLY 88 N -0.33 -0.54 3.08 7.32 0.00 -0.57 -0.63 105.19 113.51 1ouw n GLY 88 Ca -0.06 -0.81 -0.08 0.00 0.00 0.00 0.00 46.02 45.06 1ouw n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ouw s THR 89 N -3.00 0.17 0.18 2.61 -4.23 -0.54 -1.01 115.64 109.82 1ouw s THR 89 Ca 0.00 -1.44 0.11 0.00 -1.18 0.00 0.00 61.69 59.19 1ouw s THR 89 Cb 0.00 -1.11 -0.04 0.00 1.34 0.00 0.00 72.50 72.69 1ouw s THR 89 CO 0.00 -0.79 -0.24 -0.36 -0.54 0.00 0.00 174.62 172.69 1ouw s PHE 90 N -3.12 2.32 0.00 3.99 0.40 -0.26 -0.66 117.98 120.65 1ouw s PHE 90 Ca -0.01 -0.36 0.00 0.00 -0.60 0.00 0.00 56.93 55.97 1ouw s PHE 90 Cb 0.02 -1.18 0.00 0.00 0.51 0.00 0.00 43.02 42.37 1ouw s PHE 90 CO -0.07 0.46 0.00 0.41 0.70 0.00 0.00 175.22 176.72 1ouw n GLY 91 N 0.43 -0.26 3.71 4.36 0.00 -0.26 -0.33 105.19 112.84 1ouw n GLY 91 Ca -0.14 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 1ouw n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ouw s ILE 92 N -2.00 4.05 -0.06 -0.61 -1.09 -1.26 -0.88 121.20 119.35 1ouw s ILE 92 Ca 0.00 1.47 -0.01 0.00 -2.23 0.00 0.00 60.65 59.89 1ouw s ILE 92 Cb 0.00 -3.94 0.03 0.00 -1.58 0.00 0.00 42.46 36.96 1ouw s ILE 92 CO 0.00 0.11 -0.01 -0.47 -1.23 0.00 0.00 174.94 173.35 1ouw s TYR 93 N 1.07 0.63 -1.35 3.97 5.04 0.48 -4.90 117.35 122.30 1ouw s TYR 93 Ca 0.59 -0.15 -0.14 0.00 -2.44 0.00 0.00 57.07 54.93 1ouw s TYR 93 Cb -0.29 -0.72 0.01 0.00 0.35 0.00 0.00 41.96 41.31 1ouw s TYR 93 CO 0.29 -0.27 0.43 1.28 -1.34 0.00 0.00 175.55 175.94 1ouw n LEU 94 N 4.80 -1.31 0.00 6.97 4.77 -1.26 -1.57 117.00 129.41 1ouw n LEU 94 Ca -0.13 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 1ouw n LEU 94 Cb 0.50 -1.87 0.00 0.00 -2.33 0.00 0.00 43.42 39.73 1ouw n LEU 94 CO 0.14 0.57 0.00 0.47 -1.33 0.00 0.00 177.39 177.25 1ouw n ASP 95 N -2.65 -1.65 -4.20 -1.43 8.00 -1.26 -4.99 116.55 108.38 1ouw n ASP 95 Ca -0.22 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.01 1ouw n ASP 95 Cb 0.64 -0.67 -0.16 0.00 -0.02 0.00 0.00 41.12 40.91 1ouw n ASP 95 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1ouw s ASN 96 N -2.44 2.33 -0.57 -2.24 0.01 -0.61 -5.09 114.94 106.33 1ouw s ASN 96 Ca 0.00 -0.36 -0.22 0.00 -0.71 0.00 0.00 52.86 51.56 1ouw s ASN 96 Cb 0.00 -0.35 0.06 0.00 0.41 0.00 0.00 41.25 41.36 1ouw s ASN 96 CO 0.00 0.23 0.86 0.21 -1.51 0.00 0.00 177.10 176.89 1ouw s ASN 97 N -0.36 6.26 0.31 -1.22 3.84 -1.26 -0.38 114.94 122.13 1ouw s ASN 97 Ca 0.05 -0.69 0.03 0.00 0.21 0.00 0.00 52.86 52.46 1ouw s ASN 97 Cb -0.09 -2.39 -0.02 0.00 -0.55 0.00 0.00 41.25 38.20 1ouw s ASN 97 CO -0.00 -1.20 0.30 0.68 -2.79 0.00 0.00 177.10 174.09 1ouw s VAL 98 N 3.62 0.00 0.16 -5.21 -7.23 -0.06 -4.70 120.40 106.99 1ouw s VAL 98 Ca 0.24 -1.90 -0.32 0.00 -1.81 0.00 0.00 61.98 58.20 1ouw s VAL 98 Cb -0.16 -2.52 -0.10 0.00 0.56 0.00 0.00 36.38 34.16 1ouw s VAL 98 CO 0.15 0.00 1.56 -0.22 -0.31 0.00 0.00 175.10 176.27 1ouw s LEU 99 N -3.30 4.37 -0.11 1.32 2.96 0.27 -1.10 118.68 123.09 1ouw s LEU 99 Ca 0.38 2.61 0.07 0.00 -0.22 0.00 0.00 54.13 56.96 1ouw s LEU 99 Cb 0.03 -3.59 -0.12 0.00 0.50 0.00 0.00 46.19 43.01 1ouw s LEU 99 CO 0.23 -0.81 -0.02 0.54 -1.32 0.00 0.00 176.35 174.97 1ouw n ARG 100 N 3.93 1.64 -3.81 1.98 5.12 0.16 -4.49 116.66 121.19 1ouw n ARG 100 Ca 0.14 0.02 -0.11 0.00 -1.93 0.00 0.00 57.85 55.97 1ouw n ARG 100 Cb 0.39 -1.27 -0.08 0.00 -1.16 0.00 0.00 32.46 30.33 1ouw n ARG 100 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1ouw s SER 101 N -4.63 -0.04 -0.10 0.55 1.04 -1.14 -0.14 113.70 109.24 1ouw s SER 101 Ca -0.09 -0.25 -0.19 0.00 0.48 0.00 0.00 55.95 55.89 1ouw s SER 101 Cb 0.04 0.30 0.04 0.00 0.10 0.00 0.00 66.02 66.50 1ouw s SER 101 CO 0.39 -0.55 0.47 -0.51 0.98 0.00 0.00 173.24 174.02 1ouw s ILE 102 N -2.34 0.02 -0.05 -1.02 2.07 -0.41 -1.46 121.20 118.01 1ouw s ILE 102 Ca -0.07 -0.16 0.04 0.00 -1.41 0.00 0.00 60.65 59.05 1ouw s ILE 102 Cb -0.02 -0.72 -0.00 0.00 0.13 0.00 0.00 42.46 41.85 1ouw s ILE 102 CO -0.02 -0.09 -0.17 -0.89 -1.91 0.00 0.00 174.94 171.86 1ouw s THR 103 N -0.58 1.43 -0.33 4.00 2.01 0.20 -1.05 115.64 121.32 1ouw s THR 103 Ca -0.07 -0.71 -0.07 0.00 0.31 0.00 0.00 61.69 61.15 1ouw s THR 103 Cb -0.03 -1.24 0.03 0.00 0.01 0.00 0.00 72.50 71.27 1ouw s THR 103 CO 0.04 0.41 0.11 -0.36 -0.69 0.00 0.00 174.62 174.13 1ouw s PHE 104 N 0.11 3.23 -0.11 4.92 0.08 -0.30 -2.22 117.98 123.69 1ouw s PHE 104 Ca -0.05 -1.26 -0.12 0.00 0.12 0.00 0.00 56.93 55.62 1ouw s PHE 104 Cb -0.12 -2.29 -0.05 0.00 -0.57 0.00 0.00 43.02 39.99 1ouw s PHE 104 CO 0.03 -0.68 0.28 0.99 -0.10 0.00 0.00 175.22 175.73 1ouw s THR 105 N 1.44 5.28 0.53 0.64 2.01 -0.02 -0.71 115.64 124.82 1ouw s THR 105 Ca -0.00 0.53 0.01 0.00 0.31 0.00 0.00 61.69 62.54 1ouw s THR 105 Cb -0.19 -3.59 0.01 0.00 0.01 0.00 0.00 72.50 68.74 1ouw s THR 105 CO 0.03 0.50 0.09 0.42 -0.69 0.00 0.00 174.62 174.97 1ouw s THR 106 N -0.35 1.13 0.53 -0.82 -4.23 -0.18 -0.46 115.64 111.25 1ouw s THR 106 Ca 0.18 -1.89 0.19 0.00 -1.18 0.00 0.00 61.69 58.98 1ouw s THR 106 Cb -0.14 -2.02 0.30 0.00 1.34 0.00 0.00 72.50 71.98 1ouw s THR 106 CO 0.06 0.00 2.13 -0.55 -0.54 0.00 0.00 174.62 175.72 1ouw h ASN 107 N 1.16 0.00 0.01 3.99 -1.07 -1.77 -3.18 115.58 114.72 1ouw h ASN 107 Ca -0.42 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 55.93 1ouw h ASN 107 Cb 1.32 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.58 1ouw h ASN 107 CO 0.70 0.00 -0.06 0.25 0.07 0.00 0.00 177.43 178.39 1ouw h LEU 108 N 0.00 0.03 -7.67 6.14 5.85 -1.93 -3.50 115.31 114.23 1ouw h LEU 108 Ca 0.05 -0.99 0.18 0.00 0.84 0.00 0.00 57.88 57.96 1ouw h LEU 108 Cb 0.21 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.15 1ouw h LEU 108 CO -0.00 1.02 0.48 -1.59 -0.34 0.00 0.00 178.44 178.01 1ouw s LYS 109 N -2.26 1.21 -0.02 1.25 -2.85 -1.20 -5.13 119.74 110.73 1ouw s LYS 109 Ca -0.19 -0.67 -0.24 0.00 -1.00 0.00 0.00 55.97 53.88 1ouw s LYS 109 Cb -0.03 0.41 -0.04 0.00 -2.06 0.00 0.00 37.83 36.11 1ouw s LYS 109 CO 0.70 -0.55 0.73 0.00 0.10 0.00 0.00 175.35 176.32 1ouw s ALA 110 N -3.29 3.35 -0.29 0.59 0.00 -1.26 -1.02 121.76 119.85 1ouw s ALA 110 Ca 0.12 0.19 -0.08 0.00 0.00 0.00 0.00 51.96 52.20 1ouw s ALA 110 Cb -0.01 -2.97 -0.00 0.00 0.00 0.00 0.00 23.12 20.13 1ouw s ALA 110 CO 0.02 -0.03 0.10 -1.01 0.00 0.00 0.00 175.76 174.84 1ouw s HIS 111 N 0.44 3.14 -2.60 0.00 0.09 0.11 -4.98 115.29 111.48 1ouw s HIS 111 Ca 0.38 -0.73 0.00 0.00 -0.00 0.00 0.00 55.06 54.71 1ouw s HIS 111 Cb -0.19 -2.28 0.00 0.00 -0.00 0.00 0.00 32.58 30.12 1ouw s HIS 111 CO 0.20 -0.49 0.00 0.41 -0.00 0.00 0.00 174.74 174.86 1ouw n GLY 112 N 4.91 0.70 3.79 -2.22 0.00 -1.26 -1.15 105.19 109.96 1ouw n GLY 112 Ca -0.15 -2.09 -0.35 0.00 0.00 0.00 0.00 46.02 43.43 1ouw n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ouw s PRO 113 N -1.04 4.05 -0.22 1.61 0.04 -1.26 -5.05 135.00 133.13 1ouw s PRO 113 Ca 0.00 1.41 -0.05 0.00 0.04 0.00 0.00 61.00 62.40 1ouw s PRO 113 Cb 0.00 -2.35 -0.02 0.00 0.04 0.00 0.00 34.50 32.17 1ouw s PRO 113 CO 0.00 -0.22 -0.01 0.71 0.04 0.00 0.00 177.00 177.52 1ouw s TYR 114 N -1.83 3.01 0.00 0.56 1.51 -0.21 -4.95 117.35 115.43 1ouw s TYR 114 Ca 0.61 -0.67 0.00 0.00 -1.01 0.00 0.00 57.07 56.01 1ouw s TYR 114 Cb -0.18 -2.12 0.00 0.00 -0.11 0.00 0.00 41.96 39.55 1ouw s TYR 114 CO 0.23 -0.40 0.00 0.41 -1.11 0.00 0.00 175.55 174.68 1ouw n GLY 115 N 4.61 0.17 3.50 0.71 0.00 -1.26 -1.29 105.19 111.63 1ouw n GLY 115 Ca -0.17 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 43.49 1ouw n GLY 115 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ouw s GLN 116 N 0.00 3.74 -1.42 1.61 -1.52 0.80 -4.89 119.66 117.97 1ouw s GLN 116 Ca 0.00 -0.44 -0.13 0.00 -1.95 0.00 0.00 55.36 52.84 1ouw s GLN 116 Cb 0.00 -3.31 0.07 0.00 -0.22 0.00 0.00 33.01 29.55 1ouw s GLN 116 CO 0.00 -0.07 2.19 1.63 -0.25 0.00 0.00 175.29 178.78 1ouw n LYS 117 N 4.59 3.10 -3.95 2.91 5.02 -1.26 -3.78 118.16 124.79 1ouw n LYS 117 Ca -0.16 -2.81 -0.09 0.00 -2.02 0.00 0.00 58.31 53.23 1ouw n LYS 117 Cb 0.52 -3.17 -0.10 0.00 -0.02 0.00 0.00 35.03 32.26 1ouw n LYS 117 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1ouw s VAL 118 N 2.41 0.14 0.00 -0.18 -7.23 -1.26 -5.14 120.40 109.14 1ouw s VAL 118 Ca 0.46 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 59.48 1ouw s VAL 118 Cb 0.13 -0.91 0.00 0.00 0.56 0.00 0.00 36.38 36.17 1ouw s VAL 118 CO -0.07 -0.64 0.00 0.61 -0.31 0.00 0.00 175.10 174.70 1ouw n GLY 119 N 0.76 -0.98 3.65 2.32 0.00 -1.26 -4.49 105.19 105.19 1ouw n GLY 119 Ca -0.19 -2.11 -0.38 0.00 0.00 0.00 0.00 46.02 43.34 1ouw n GLY 119 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ouw s THR 120 N 0.00 5.21 0.49 2.61 2.01 0.55 -4.83 115.64 121.69 1ouw s THR 120 Ca 0.00 0.59 -0.14 0.00 0.31 0.00 0.00 61.69 62.45 1ouw s THR 120 Cb 0.00 -3.69 -0.07 0.00 0.01 0.00 0.00 72.50 68.75 1ouw s THR 120 CO 0.00 0.23 0.92 -2.16 -0.69 0.00 0.00 174.62 172.92 1ouw s PRO 121 N 1.53 3.86 0.04 4.92 0.04 -1.26 -1.10 135.00 143.03 1ouw s PRO 121 Ca 0.16 0.78 -0.01 0.00 0.04 0.00 0.00 61.00 61.97 1ouw s PRO 121 Cb -0.15 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 1ouw s PRO 121 CO 0.08 -0.22 -0.03 -0.59 0.04 0.00 0.00 177.00 176.28 1ouw s PHE 122 N -2.59 0.46 -0.21 0.56 -0.71 -0.18 -4.94 117.98 110.37 1ouw s PHE 122 Ca 0.56 -0.90 -0.18 0.00 -1.04 0.00 0.00 56.93 55.37 1ouw s PHE 122 Cb -0.10 -0.34 0.06 0.00 -1.21 0.00 0.00 43.02 41.43 1ouw s PHE 122 CO 0.33 -0.31 0.55 0.45 -1.34 0.00 0.00 175.22 174.90 1ouw s SER 123 N -2.49 -0.61 0.62 1.98 0.15 -1.26 -1.51 113.70 110.57 1ouw s SER 123 Ca 0.00 1.13 -0.15 0.00 0.70 0.00 0.00 55.95 57.64 1ouw s SER 123 Cb 0.03 1.11 -0.02 0.00 -1.71 0.00 0.00 66.02 65.42 1ouw s SER 123 CO -0.07 -0.20 1.06 -0.94 1.20 0.00 0.00 173.24 174.29 1ouw s SER 124 N 0.57 5.65 0.00 5.45 1.04 -0.09 -5.00 113.70 121.31 1ouw s SER 124 Ca -0.02 1.78 0.00 0.00 0.48 0.00 0.00 55.95 58.19 1ouw s SER 124 Cb -0.05 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1ouw s SER 124 CO -0.03 -1.26 0.00 0.00 0.98 0.00 0.00 173.24 172.93 1ouw n ALA 125 N -2.30 0.00 0.00 5.32 0.00 -1.26 -4.83 120.51 117.43 1ouw n ALA 125 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1ouw n ALA 125 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1ouw n ALA 125 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1ouw n VAL 127 N 0.00 0.00 -1.68 0.00 3.14 -1.26 -4.95 118.33 113.58 1ouw n VAL 127 Ca 0.00 0.00 -0.45 0.00 -2.96 0.00 0.00 64.34 60.93 1ouw n VAL 127 Cb 0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.74 1ouw n VAL 127 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 1ouw n VAL 128 N 0.00 0.21 -1.05 1.55 0.24 -1.26 -1.70 118.33 116.33 1ouw n VAL 128 Ca 0.00 -0.04 -0.02 0.00 -2.04 0.00 0.00 64.34 62.25 1ouw n VAL 128 Cb 0.00 -1.78 -0.01 0.00 -1.47 0.00 0.00 33.84 30.59 1ouw n VAL 128 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ouw n GLY 129 N 3.86 0.53 3.77 7.63 0.00 -1.26 -4.97 105.19 114.74 1ouw n GLY 129 Ca 0.18 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 1ouw n GLY 129 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ouw s ASN 130 N -2.55 7.20 -0.06 1.61 2.47 -0.69 -0.82 114.94 122.11 1ouw s ASN 130 Ca 0.00 2.09 0.03 0.00 0.42 0.00 0.00 52.86 55.40 1ouw s ASN 130 Cb 0.00 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 1ouw s ASN 130 CO 0.00 -0.18 -0.16 -0.70 -3.72 0.00 0.00 177.10 172.35 1ouw s GLU 131 N -1.77 1.84 -0.10 0.43 2.12 0.23 -4.68 118.70 116.76 1ouw s GLU 131 Ca 0.48 -0.55 -0.30 0.00 0.36 0.00 0.00 54.97 54.97 1ouw s GLU 131 Cb -0.26 -1.54 -0.02 0.00 0.26 0.00 0.00 34.13 32.57 1ouw s GLU 131 CO 0.33 0.15 1.09 0.42 -0.54 0.00 0.00 175.26 176.72 1ouw s ILE 132 N 0.31 4.56 -0.38 -3.70 1.01 -0.24 -1.28 121.20 121.48 1ouw s ILE 132 Ca -0.09 1.85 0.03 0.00 0.00 0.00 0.00 60.65 62.44 1ouw s ILE 132 Cb -0.14 -4.19 0.04 0.00 0.01 0.00 0.00 42.46 38.18 1ouw s ILE 132 CO 0.03 -0.02 0.68 1.33 0.00 0.00 0.00 174.94 176.96 1ouw n VAL 133 N 4.68 0.16 -3.78 2.92 0.24 -0.04 -4.51 118.33 117.99 1ouw n VAL 133 Ca 0.10 -0.58 0.03 0.00 -2.04 0.00 0.00 64.34 61.85 1ouw n VAL 133 Cb 0.47 0.98 0.00 0.00 -1.47 0.00 0.00 33.84 33.82 1ouw n VAL 133 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ouw s GLY 134 N -0.38 -0.30 0.11 7.63 0.00 -1.20 -4.22 107.32 108.96 1ouw s GLY 134 Ca 0.04 0.45 0.04 0.00 0.00 0.00 0.00 44.72 45.25 1ouw s GLY 134 CO 0.04 2.81 -0.10 -1.36 0.00 0.00 0.00 173.10 174.49 1ouw s PHE 135 N -2.16 1.14 0.23 1.90 0.08 -0.19 -1.09 117.98 117.89 1ouw s PHE 135 Ca 0.22 -0.68 -0.09 0.00 0.12 0.00 0.00 56.93 56.50 1ouw s PHE 135 Cb 0.03 -0.61 -0.02 0.00 -0.57 0.00 0.00 43.02 41.86 1ouw s PHE 135 CO -0.03 0.03 0.35 -0.48 -0.10 0.00 0.00 175.22 174.99 1ouw s LEU 136 N -2.66 0.62 0.00 -0.37 2.34 -0.78 -0.52 118.68 117.31 1ouw s LEU 136 Ca 0.09 -1.08 0.00 0.00 0.06 0.00 0.00 54.13 53.20 1ouw s LEU 136 Cb -0.01 1.28 0.00 0.00 -0.56 0.00 0.00 46.19 46.90 1ouw s LEU 136 CO 0.00 -1.03 0.00 0.61 -1.06 0.00 0.00 176.35 174.87 1ouw n GLY 137 N -0.34 -0.58 3.04 -3.48 0.00 -0.44 0.01 105.19 103.40 1ouw n GLY 137 Ca -0.01 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 1ouw n GLY 137 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ouw s ARG 138 N -1.38 0.47 0.14 1.61 0.52 -0.68 -1.22 118.95 118.41 1ouw s ARG 138 Ca 0.00 -0.77 -0.22 0.00 -0.52 0.00 0.00 55.73 54.22 1ouw s ARG 138 Cb 0.00 -0.10 0.06 0.00 0.52 0.00 0.00 34.95 35.44 1ouw s ARG 138 CO 0.00 -0.00 0.57 -1.54 0.02 0.00 0.00 175.30 174.34 1ouw s SER 139 N -1.73 -0.52 0.00 0.23 1.04 -0.01 -1.18 113.70 111.53 1ouw s SER 139 Ca -0.10 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1ouw s SER 139 Cb -0.08 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1ouw s SER 139 CO -0.01 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1ouw n GLY 140 N -0.29 3.13 0.29 7.32 0.00 -1.26 -0.23 105.19 114.16 1ouw n GLY 140 Ca -0.17 -0.15 0.03 0.00 0.00 0.00 0.00 46.02 45.73 1ouw n GLY 140 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ouw h TYR 141 N 0.00 0.49 -2.49 1.61 -1.99 -1.92 -1.61 116.97 111.06 1ouw h TYR 141 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1ouw h TYR 141 Cb 0.00 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 38.57 1ouw h TYR 141 CO 0.00 0.37 0.00 0.66 -0.00 0.00 0.00 178.16 179.19 1ouw n TYR 142 N -4.41 0.00 -3.58 4.88 4.01 -1.26 -1.06 117.16 115.74 1ouw n TYR 142 Ca 0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.36 1ouw n TYR 142 Cb 0.12 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.05 1ouw n TYR 142 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1ouw s VAL 143 N -1.17 4.34 0.09 -0.72 1.01 -1.26 -4.20 120.40 118.49 1ouw s VAL 143 Ca 0.00 -1.37 0.11 0.00 0.00 0.00 0.00 61.98 60.72 1ouw s VAL 143 Cb 0.00 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.66 1ouw s VAL 143 CO 0.00 -0.52 1.44 0.44 0.00 0.00 0.00 175.10 176.46 1ouw h ASP 144 N 8.44 0.00 -4.93 3.32 5.19 -1.45 0.79 116.42 127.79 1ouw h ASP 144 Ca -0.23 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.14 1ouw h ASP 144 Cb 1.09 0.00 -0.17 0.00 0.18 0.00 0.00 39.33 40.42 1ouw h ASP 144 CO 0.77 0.73 0.23 0.00 -3.12 0.00 0.00 179.24 177.85 1ouw s ALA 145 N -3.06 -1.74 -0.13 3.45 0.00 -0.85 -0.65 121.76 118.78 1ouw s ALA 145 Ca 0.01 1.10 -0.12 0.00 0.00 0.00 0.00 51.96 52.96 1ouw s ALA 145 Cb 0.10 0.21 0.04 0.00 0.00 0.00 0.00 23.12 23.47 1ouw s ALA 145 CO 0.77 -0.49 0.35 -1.50 0.00 0.00 0.00 175.76 174.90 1ouw s ILE 146 N -1.95 -0.00 0.17 0.00 2.07 -0.17 -1.69 121.20 119.62 1ouw s ILE 146 Ca -0.07 0.02 0.04 0.00 -1.41 0.00 0.00 60.65 59.23 1ouw s ILE 146 Cb -0.00 -0.50 -0.01 0.00 0.13 0.00 0.00 42.46 42.07 1ouw s ILE 146 CO 0.03 0.01 0.15 0.61 -1.91 0.00 0.00 174.94 173.83 1ouw n GLY 147 N 3.10 3.39 3.26 1.50 0.00 0.10 -0.42 105.19 116.12 1ouw n GLY 147 Ca -0.15 -1.76 -0.19 0.00 0.00 0.00 0.00 46.02 43.92 1ouw n GLY 147 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ouw s THR 148 N -2.69 1.45 -0.09 2.61 -4.23 -0.41 -1.86 115.64 110.42 1ouw s THR 148 Ca 0.20 -1.76 -0.07 0.00 -1.18 0.00 0.00 61.69 58.88 1ouw s THR 148 Cb 0.01 -1.60 -0.04 0.00 1.34 0.00 0.00 72.50 72.20 1ouw s THR 148 CO 0.14 -0.39 0.17 -0.31 -0.54 0.00 0.00 174.62 173.70 1ouw s TYR 149 N -2.10 3.60 0.04 3.99 2.02 -0.25 -1.08 117.35 123.57 1ouw s TYR 149 Ca 0.10 0.53 0.03 0.00 -0.37 0.00 0.00 57.07 57.36 1ouw s TYR 149 Cb -0.05 -1.95 -0.02 0.00 -0.40 0.00 0.00 41.96 39.54 1ouw s TYR 149 CO 0.04 0.71 -0.08 -0.80 -1.57 0.00 0.00 175.55 173.84 1ouw s ASN 150 N -1.23 0.94 -0.06 2.29 0.01 0.03 -0.86 114.94 116.06 1ouw s ASN 150 Ca 0.18 -0.53 -0.16 0.00 -0.71 0.00 0.00 52.86 51.65 1ouw s ASN 150 Cb -0.12 0.02 0.03 0.00 0.41 0.00 0.00 41.25 41.59 1ouw s ASN 150 CO 0.08 -0.17 0.36 -0.60 -1.51 0.00 0.00 177.10 175.26 1ouw s ARG 151 N -1.52 0.62 0.25 -0.60 3.52 -0.40 -2.97 118.95 117.85 1ouw s ARG 151 Ca -0.08 0.09 -0.30 0.00 -0.13 0.00 0.00 55.73 55.31 1ouw s ARG 151 Cb -0.10 0.29 -0.09 0.00 -1.56 0.00 0.00 34.95 33.49 1ouw s ARG 151 CO 0.01 -0.15 1.26 -1.58 -0.81 0.00 0.00 175.30 174.02 1ouw s HIS 152 N -0.80 3.28 -2.22 5.12 5.65 -1.26 -0.60 115.29 124.46 1ouw s HIS 152 Ca -0.09 1.38 0.30 0.00 0.25 0.00 0.00 55.06 56.91 1ouw s HIS 152 Cb -0.04 -3.54 1.52 0.00 -1.18 0.00 0.00 32.58 29.34 1ouw s HIS 152 CO 0.03 -1.55 2.01 0.36 -0.65 0.00 0.00 174.74 174.95