#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q81 s ARG 2 N 0.00 0.39 0.03 -0.52 3.52 -1.26 -1.97 118.95 119.14 1q81 s ARG 2 Ca 0.00 0.81 0.09 0.00 -0.13 0.00 0.00 55.73 56.50 1q81 s ARG 2 Cb 0.00 0.31 -0.03 0.00 -1.56 0.00 0.00 34.95 33.67 1q81 s ARG 2 CO 0.00 -0.11 -0.26 0.14 -0.81 0.00 0.00 175.30 174.27 1q81 s VAL 3 N 1.96 2.07 -0.13 7.11 -7.23 0.54 -4.97 120.40 119.75 1q81 s VAL 3 Ca -0.06 -1.30 0.02 0.00 -1.81 0.00 0.00 61.98 58.84 1q81 s VAL 3 Cb -0.06 -1.76 0.01 0.00 0.56 0.00 0.00 36.38 35.14 1q81 s VAL 3 CO -0.17 0.41 -0.20 -1.61 -0.31 0.00 0.00 175.10 173.22 1q81 s GLU 4 N -1.06 2.79 -0.26 4.82 2.02 -1.26 -1.16 118.70 124.59 1q81 s GLU 4 Ca 0.11 -0.77 -0.04 0.00 0.02 0.00 0.00 54.97 54.29 1q81 s GLU 4 Cb -0.10 -2.27 0.01 0.00 0.10 0.00 0.00 34.13 31.87 1q81 s GLU 4 CO 0.01 -0.02 -0.01 -0.51 0.02 0.00 0.00 175.26 174.75 1q81 s LEU 5 N 0.85 3.37 -0.32 1.80 1.43 0.59 -4.93 118.68 121.48 1q81 s LEU 5 Ca -0.07 -0.73 -0.29 0.00 -1.03 0.00 0.00 54.13 52.01 1q81 s LEU 5 Cb -0.15 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.32 1q81 s LEU 5 CO -0.02 -0.13 1.17 -1.61 0.23 0.00 0.00 176.35 175.99 1q81 s GLU 6 N 1.41 4.00 0.27 1.70 2.02 -1.26 -0.17 118.70 126.67 1q81 s GLU 6 Ca 0.02 1.13 -0.29 0.00 0.02 0.00 0.00 54.97 55.84 1q81 s GLU 6 Cb -0.16 -3.80 -0.10 0.00 0.10 0.00 0.00 34.13 30.17 1q81 s GLU 6 CO -0.02 -1.01 1.29 -1.50 0.02 0.00 0.00 175.26 174.05 1q81 s ILE 7 N 3.96 3.00 0.52 -1.63 2.07 -0.79 -4.98 121.20 123.36 1q81 s ILE 7 Ca 0.50 0.92 -0.22 0.00 -1.41 0.00 0.00 60.65 60.43 1q81 s ILE 7 Cb -0.14 -3.58 -0.06 0.00 0.13 0.00 0.00 42.46 38.81 1q81 s ILE 7 CO 0.19 0.18 1.31 -2.65 -1.91 0.00 0.00 174.94 172.07 1q81 n PRO 8 N 1.63 1.70 0.17 3.50 -0.02 -1.26 -4.89 135.00 135.83 1q81 n PRO 8 Ca 0.03 0.62 0.16 0.00 -2.02 0.00 0.00 63.50 62.29 1q81 n PRO 8 Cb 0.42 -2.50 0.77 0.00 -0.02 0.00 0.00 33.50 32.17 1q81 n PRO 8 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1q81 h GLU 9 N 1.51 0.00 0.00 -0.52 4.11 -2.00 0.12 114.58 117.81 1q81 h GLU 9 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1q81 h GLU 9 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1q81 h GLU 9 CO 0.57 0.00 0.00 0.22 0.07 0.00 0.00 179.01 179.87 1q81 h ASP 10 N 0.00 0.00 -2.18 3.06 1.82 -1.97 -3.46 116.42 113.69 1q81 h ASP 10 Ca 0.11 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 56.20 1q81 h ASP 10 Cb 0.51 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 40.43 1q81 h ASP 10 CO -0.00 0.00 -0.61 -0.69 -1.61 0.00 0.00 179.24 176.33 1q81 s VAL 11 N -3.28 3.67 -0.05 2.25 1.01 0.42 -4.43 120.40 120.00 1q81 s VAL 11 Ca 0.07 -1.77 0.02 0.00 0.00 0.00 0.00 61.98 60.30 1q81 s VAL 11 Cb 0.09 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.49 1q81 s VAL 11 CO 0.58 -0.35 -0.08 -1.81 0.00 0.00 0.00 175.10 173.43 1q81 s ASP 12 N -3.73 1.25 -0.07 3.32 1.01 -0.56 -4.74 116.67 113.16 1q81 s ASP 12 Ca 0.32 -0.19 -0.00 0.00 0.71 0.00 0.00 52.55 53.39 1q81 s ASP 12 Cb -0.06 -0.54 0.02 0.00 1.01 0.00 0.00 42.92 43.35 1q81 s ASP 12 CO 0.21 0.00 -0.03 0.00 0.21 0.00 0.00 175.17 175.57 1q81 s ALA 13 N 0.66 0.78 0.28 5.23 0.00 -1.26 0.17 121.76 127.61 1q81 s ALA 13 Ca -0.11 -0.15 0.11 0.00 0.00 0.00 0.00 51.96 51.80 1q81 s ALA 13 Cb -0.14 -0.63 -0.05 0.00 0.00 0.00 0.00 23.12 22.30 1q81 s ALA 13 CO 0.01 -0.27 -0.17 -2.00 0.00 0.00 0.00 175.76 173.34 1q81 s GLU 14 N 1.49 1.65 -0.29 0.00 2.12 -0.36 -4.91 118.70 118.40 1q81 s GLU 14 Ca -0.02 -1.77 -0.14 0.00 0.36 0.00 0.00 54.97 53.40 1q81 s GLU 14 Cb -0.13 -1.63 0.11 0.00 0.26 0.00 0.00 34.13 32.74 1q81 s GLU 14 CO -0.03 0.26 0.76 -1.14 -0.54 0.00 0.00 175.26 174.57 1q81 s GLN 15 N -3.56 0.57 -0.09 4.30 -0.44 -1.26 -1.37 119.66 117.81 1q81 s GLN 15 Ca 0.29 1.15 0.04 0.00 -2.50 0.00 0.00 55.36 54.34 1q81 s GLN 15 Cb -0.03 0.38 0.00 0.00 -1.64 0.00 0.00 33.01 31.73 1q81 s GLN 15 CO 0.14 -0.15 -0.23 0.16 0.50 0.00 0.00 175.29 175.71 1q81 s ASP 16 N 2.05 2.95 1.66 6.67 -4.77 -1.08 -4.90 116.67 119.25 1q81 s ASP 16 Ca -0.08 -0.53 0.00 0.00 -3.30 0.00 0.00 52.55 48.64 1q81 s ASP 16 Cb -0.07 -1.31 0.00 0.00 -1.09 0.00 0.00 42.92 40.45 1q81 s ASP 16 CO -0.19 0.15 0.00 1.41 0.70 0.00 0.00 175.17 177.25 1q81 n HIS 17 N 3.52 0.00 0.34 2.11 8.25 -1.26 -2.28 115.22 125.90 1q81 n HIS 17 Ca -0.19 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.36 1q81 n HIS 17 Cb 0.53 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.79 1q81 n HIS 17 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1q81 n LEU 18 N 0.00 2.99 -4.62 2.41 4.77 -1.26 -4.93 117.00 116.37 1q81 n LEU 18 Ca 0.00 -1.41 -0.34 0.00 -0.03 0.00 0.00 56.01 54.22 1q81 n LEU 18 Cb 0.00 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 40.83 1q81 n LEU 18 CO 0.00 0.63 -0.26 -1.81 -1.33 0.00 0.00 177.39 174.62 1q81 s ASP 19 N -1.34 5.53 -0.11 -1.43 1.01 -0.96 -0.72 116.67 118.64 1q81 s ASP 19 Ca 0.29 0.05 0.02 0.00 0.71 0.00 0.00 52.55 53.63 1q81 s ASP 19 Cb 0.18 -1.94 -0.01 0.00 1.01 0.00 0.00 42.92 42.16 1q81 s ASP 19 CO 0.25 0.17 -0.20 -0.63 0.21 0.00 0.00 175.17 174.97 1q81 s ILE 20 N 0.40 2.42 -0.06 0.77 1.01 0.83 -2.62 121.20 123.95 1q81 s ILE 20 Ca 0.02 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.83 1q81 s ILE 20 Cb -0.13 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 1q81 s ILE 20 CO 0.01 0.55 -0.21 -0.89 0.00 0.00 0.00 174.94 174.39 1q81 s THR 21 N 0.36 2.40 -0.09 2.92 2.01 -0.47 0.84 115.64 123.61 1q81 s THR 21 Ca -0.16 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 60.93 1q81 s THR 21 Cb -0.17 -1.90 0.01 0.00 0.01 0.00 0.00 72.50 70.44 1q81 s THR 21 CO 0.08 0.57 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.70 1q81 s VAL 22 N -0.29 1.65 -0.06 3.82 1.01 0.39 -1.22 120.40 125.69 1q81 s VAL 22 Ca 0.01 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.26 1q81 s VAL 22 Cb -0.13 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1q81 s VAL 22 CO 0.03 0.47 -0.18 -1.61 0.00 0.00 0.00 175.10 173.80 1q81 s GLU 23 N 0.56 2.08 0.27 2.72 2.02 0.13 -0.61 118.70 125.88 1q81 s GLU 23 Ca -0.15 -0.65 0.02 0.00 0.02 0.00 0.00 54.97 54.21 1q81 s GLU 23 Cb -0.17 -1.72 -0.01 0.00 0.10 0.00 0.00 34.13 32.33 1q81 s GLU 23 CO 0.05 0.20 0.31 0.41 0.02 0.00 0.00 175.26 176.25 1q81 n GLY 24 N 3.35 2.72 0.31 -1.39 0.00 0.19 -1.49 105.19 108.88 1q81 n GLY 24 Ca -0.19 -1.71 0.16 0.00 0.00 0.00 0.00 46.02 44.28 1q81 n GLY 24 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1q81 h ASP 25 N 1.62 0.00 0.56 1.61 3.32 -1.72 -0.91 116.42 120.90 1q81 h ASP 25 Ca -0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1q81 h ASP 25 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 1q81 h ASP 25 CO 0.29 0.00 -0.42 -3.20 -1.72 0.00 0.00 179.24 174.18 1q81 n ASN 26 N -3.86 0.44 0.00 6.45 5.15 0.20 -5.04 115.26 118.61 1q81 n ASN 26 Ca -0.01 -0.16 0.00 0.00 -0.60 0.00 0.00 54.58 53.81 1q81 n ASN 26 Cb 0.19 0.14 0.00 0.00 -0.53 0.00 0.00 39.78 39.58 1q81 n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1q81 n GLY 27 N 1.50 0.65 2.86 8.20 0.00 -0.35 -4.71 105.19 113.34 1q81 n GLY 27 Ca 0.06 -1.66 -0.12 0.00 0.00 0.00 0.00 46.02 44.29 1q81 n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q81 s SER 28 N -4.00 0.00 -0.05 1.61 1.04 -1.26 0.53 113.70 111.58 1q81 s SER 28 Ca 0.00 0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.45 1q81 s SER 28 Cb 0.00 -0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.14 1q81 s SER 28 CO 0.00 -0.02 -0.03 -0.69 0.98 0.00 0.00 173.24 173.48 1q81 s VAL 29 N 0.13 0.50 0.04 5.02 1.01 0.22 -4.91 120.40 122.40 1q81 s VAL 29 Ca -0.01 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 61.94 1q81 s VAL 29 Cb -0.02 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 1q81 s VAL 29 CO -0.00 0.23 -0.07 -0.89 0.00 0.00 0.00 175.10 174.36 1q81 s THR 30 N 1.12 3.59 -0.07 3.92 2.01 -1.26 -0.46 115.64 124.48 1q81 s THR 30 Ca -0.08 -0.93 -0.10 0.00 0.31 0.00 0.00 61.69 60.89 1q81 s THR 30 Cb -0.14 -2.60 0.02 0.00 0.01 0.00 0.00 72.50 69.79 1q81 s THR 30 CO -0.01 0.30 0.27 -0.13 -0.69 0.00 0.00 174.62 174.36 1q81 s ARG 31 N -1.69 0.41 -0.27 4.92 0.52 0.25 -4.95 118.95 118.13 1q81 s ARG 31 Ca 0.19 0.18 -0.19 0.00 -0.52 0.00 0.00 55.73 55.39 1q81 s ARG 31 Cb -0.11 0.19 -0.02 0.00 0.52 0.00 0.00 34.95 35.53 1q81 s ARG 31 CO 0.10 -0.08 0.57 0.50 0.02 0.00 0.00 175.30 176.42 1q81 s ARG 32 N -0.32 4.03 -0.58 3.54 3.52 -1.26 -0.12 118.95 127.76 1q81 s ARG 32 Ca -0.04 0.37 0.01 0.00 -0.13 0.00 0.00 55.73 55.94 1q81 s ARG 32 Cb -0.03 -3.67 0.15 0.00 -1.56 0.00 0.00 34.95 29.83 1q81 s ARG 32 CO 0.01 -0.43 0.36 -0.51 -0.81 0.00 0.00 175.30 173.92 1q81 s LEU 33 N 2.44 4.73 -0.20 -0.88 1.43 0.10 -5.01 118.68 121.29 1q81 s LEU 33 Ca 0.23 -3.02 0.01 0.00 -1.03 0.00 0.00 54.13 50.33 1q81 s LEU 33 Cb -0.15 -1.73 0.03 0.00 0.03 0.00 0.00 46.19 44.36 1q81 s LEU 33 CO 0.10 -0.28 -0.17 0.86 0.23 0.00 0.00 176.35 177.09 1q81 s TRP 34 N -0.29 2.82 -0.20 0.29 -0.00 -1.26 -4.87 118.94 115.42 1q81 s TRP 34 Ca 0.18 -1.76 -0.18 0.00 -0.00 0.00 0.00 56.10 54.34 1q81 s TRP 34 Cb -0.22 -1.88 0.05 0.00 -0.00 0.00 0.00 33.47 31.42 1q81 s TRP 34 CO -0.02 -0.81 0.54 -0.47 -0.00 0.00 0.00 176.95 176.18 1q81 s TYR 35 N 1.27 -0.60 -0.44 5.86 5.04 -1.26 -5.10 117.35 122.12 1q81 s TYR 35 Ca 0.02 1.46 -0.45 0.00 -2.44 0.00 0.00 57.07 55.66 1q81 s TYR 35 Cb -0.15 0.21 -0.19 0.00 0.35 0.00 0.00 41.96 42.19 1q81 s TYR 35 CO -0.11 -0.29 1.69 -2.30 -1.34 0.00 0.00 175.55 173.20 1q81 n PRO 36 N 2.87 0.34 -2.23 4.97 -0.02 -1.26 -1.75 135.00 137.91 1q81 n PRO 36 Ca -0.14 0.12 -0.21 0.00 -2.02 0.00 0.00 63.50 61.26 1q81 n PRO 36 Cb 0.56 -1.69 -0.03 0.00 -0.02 0.00 0.00 33.50 32.33 1q81 n PRO 36 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1q81 n ASP 37 N 4.73 -5.82 -4.16 2.55 8.00 -1.26 -4.99 116.55 115.59 1q81 n ASP 37 Ca 0.31 0.10 -0.35 0.00 0.71 0.00 0.00 54.79 55.56 1q81 n ASP 37 Cb -0.00 -4.90 -0.14 0.00 -0.02 0.00 0.00 41.12 36.06 1q81 n ASP 37 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1q81 s ILE 38 N -2.98 2.99 -0.13 0.53 1.01 -0.72 -4.20 121.20 117.70 1q81 s ILE 38 Ca 0.00 -1.49 -0.15 0.00 0.00 0.00 0.00 60.65 59.01 1q81 s ILE 38 Cb 0.00 -2.77 -0.05 0.00 0.01 0.00 0.00 42.46 39.65 1q81 s ILE 38 CO 0.00 -0.18 0.35 -1.81 0.00 0.00 0.00 174.94 173.29 1q81 s ASP 39 N 1.30 6.54 -0.13 3.58 1.01 0.22 -4.64 116.67 124.55 1q81 s ASP 39 Ca -0.03 0.63 0.01 0.00 0.71 0.00 0.00 52.55 53.87 1q81 s ASP 39 Cb -0.20 -2.21 -0.01 0.00 1.01 0.00 0.00 42.92 41.51 1q81 s ASP 39 CO -0.02 0.11 -0.18 -0.69 0.21 0.00 0.00 175.17 174.61 1q81 s VAL 40 N 0.29 2.58 -0.03 -1.27 1.01 -1.26 -1.61 120.40 120.11 1q81 s VAL 40 Ca 0.20 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 1q81 s VAL 40 Cb -0.14 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.20 1q81 s VAL 40 CO 0.06 0.54 0.24 -0.94 0.00 0.00 0.00 175.10 175.00 1q81 s SER 41 N 0.47 -0.14 -0.72 3.32 1.04 -0.61 -4.97 113.70 112.09 1q81 s SER 41 Ca -0.12 0.11 -0.20 0.00 0.48 0.00 0.00 55.95 56.22 1q81 s SER 41 Cb -0.16 0.34 0.10 0.00 0.10 0.00 0.00 66.02 66.40 1q81 s SER 41 CO 0.05 -0.33 0.92 -0.69 0.98 0.00 0.00 173.24 174.18 1q81 s VAL 42 N -0.96 4.64 -1.29 5.02 1.01 -1.26 0.01 120.40 127.57 1q81 s VAL 42 Ca -0.10 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 60.79 1q81 s VAL 42 Cb -0.05 -4.64 0.16 0.00 0.00 0.00 0.00 36.38 31.84 1q81 s VAL 42 CO 0.02 -1.36 1.87 -0.67 0.00 0.00 0.00 175.10 174.97 1q81 n ASP 43 N 6.81 5.01 0.00 3.32 2.03 0.28 -4.87 116.55 129.14 1q81 n ASP 43 Ca 0.03 -3.08 0.00 0.00 0.52 0.00 0.00 54.79 52.26 1q81 n ASP 43 Cb 0.46 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.36 1q81 n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1q81 n GLY 44 N 3.01 1.15 0.01 0.27 0.00 -1.26 -2.50 105.19 105.86 1q81 n GLY 44 Ca 0.40 0.46 0.10 0.00 0.00 0.00 0.00 46.02 46.98 1q81 n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1q81 n ASP 45 N 3.13 0.51 -4.23 1.61 5.75 -1.26 -5.00 116.55 117.06 1q81 n ASP 45 Ca 0.00 -0.01 -0.23 0.00 -0.01 0.00 0.00 54.79 54.54 1q81 n ASP 45 Cb 0.00 1.89 -0.13 0.00 -1.03 0.00 0.00 41.12 41.85 1q81 n ASP 45 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1q81 s THR 46 N -3.36 1.48 -0.15 2.12 -4.23 -1.04 -1.88 115.64 108.58 1q81 s THR 46 Ca -0.07 -1.29 -0.15 0.00 -1.18 0.00 0.00 61.69 59.00 1q81 s THR 46 Cb 0.13 -1.33 -0.05 0.00 1.34 0.00 0.00 72.50 72.59 1q81 s THR 46 CO 0.82 0.00 0.33 -0.69 -0.54 0.00 0.00 174.62 174.54 1q81 s VAL 47 N -1.01 5.28 -0.15 2.29 1.01 0.76 0.10 120.40 128.67 1q81 s VAL 47 Ca 0.04 0.64 -0.00 0.00 0.00 0.00 0.00 61.98 62.66 1q81 s VAL 47 Cb -0.09 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1q81 s VAL 47 CO 0.03 0.38 -0.14 -0.69 0.00 0.00 0.00 175.10 174.67 1q81 s VAL 48 N 0.46 2.81 -0.29 2.92 1.01 0.10 -0.30 120.40 127.11 1q81 s VAL 48 Ca 0.19 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 1q81 s VAL 48 Cb -0.13 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.07 1q81 s VAL 48 CO 0.05 0.51 0.07 -0.63 0.00 0.00 0.00 175.10 175.11 1q81 s ILE 49 N 0.69 3.89 0.02 2.22 1.01 -0.30 -1.57 121.20 127.16 1q81 s ILE 49 Ca -0.07 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 1q81 s ILE 49 Cb -0.16 -3.00 -0.01 0.00 0.01 0.00 0.00 42.46 39.30 1q81 s ILE 49 CO 0.02 0.10 0.04 -1.83 0.00 0.00 0.00 174.94 173.26 1q81 s GLU 50 N 1.49 0.43 0.14 2.79 -1.05 -0.64 -0.34 118.70 121.51 1q81 s GLU 50 Ca 0.02 -0.62 -0.14 0.00 -0.15 0.00 0.00 54.97 54.08 1q81 s GLU 50 Cb -0.17 0.16 0.02 0.00 -0.44 0.00 0.00 34.13 33.71 1q81 s GLU 50 CO 0.02 -0.09 0.38 0.45 0.95 0.00 0.00 175.26 176.97 1q81 s SER 51 N -1.66 -0.16 0.00 0.83 0.15 -0.83 -0.61 113.70 111.42 1q81 s SER 51 Ca -0.12 -0.45 0.23 0.00 0.70 0.00 0.00 55.95 56.31 1q81 s SER 51 Cb -0.07 0.47 0.18 0.00 -1.71 0.00 0.00 66.02 64.89 1q81 s SER 51 CO -0.02 -0.87 1.19 0.47 1.20 0.00 0.00 173.24 175.21 1q81 n ASP 52 N -0.22 1.03 -4.91 5.45 8.00 -1.26 -1.62 116.55 123.02 1q81 n ASP 52 Ca -0.14 -0.84 -0.22 0.00 0.71 0.00 0.00 54.79 54.30 1q81 n ASP 52 Cb 0.63 0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 42.25 1q81 n ASP 52 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1q81 s GLU 53 N -2.83 3.22 0.00 -1.24 2.02 -1.26 -4.77 118.70 113.83 1q81 s GLU 53 Ca 0.13 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.26 1q81 s GLU 53 Cb 0.17 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.64 1q81 s GLU 53 CO 0.71 0.43 0.52 -0.40 0.02 0.00 0.00 175.26 176.54 1q81 n ASP 54 N -1.23 0.61 -4.73 -0.19 5.75 -1.26 -4.26 116.55 111.24 1q81 n ASP 54 Ca -0.08 -1.24 -0.37 0.00 -0.01 0.00 0.00 54.79 53.08 1q81 n ASP 54 Cb 0.57 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.72 1q81 n ASP 54 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1q81 s ASN 55 N -0.24 4.69 0.34 -1.12 2.20 -1.26 -4.65 114.94 114.90 1q81 s ASN 55 Ca 0.00 2.61 0.14 0.00 -0.94 0.00 0.00 52.86 54.66 1q81 s ASN 55 Cb 0.00 -2.62 1.10 0.00 -2.00 0.00 0.00 41.25 37.73 1q81 s ASN 55 CO 0.00 -1.94 1.63 0.00 -2.94 0.00 0.00 177.10 173.84 1q81 h ALA 56 N 0.62 1.87 -0.81 3.54 0.00 -1.99 -0.93 119.26 121.56 1q81 h ALA 56 Ca -0.51 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1q81 h ALA 56 Cb 1.33 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 1q81 h ALA 56 CO 0.53 -0.68 0.40 0.87 0.00 0.00 0.00 179.25 180.37 1q81 h LYS 57 N 0.18 1.16 0.13 0.00 1.57 -1.99 -0.48 116.57 117.14 1q81 h LYS 57 Ca 0.74 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 59.35 1q81 h LYS 57 Cb 1.75 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.85 1q81 h LYS 57 CO -0.69 0.89 -0.06 1.15 -0.57 0.00 0.00 179.45 180.16 1q81 h THR 58 N 1.15 0.00 -1.11 -0.16 2.02 -1.51 -2.64 112.91 110.66 1q81 h THR 58 Ca 0.28 -0.08 0.42 0.00 0.77 0.00 0.00 66.41 67.80 1q81 h THR 58 Cb 0.10 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.36 1q81 h THR 58 CO -0.04 0.00 0.66 0.23 0.37 0.00 0.00 175.52 176.75 1q81 n MET 59 N -2.69 -0.05 0.05 6.66 2.81 -1.09 0.13 117.12 122.95 1q81 n MET 59 Ca -0.02 1.24 -0.11 0.00 -1.81 0.00 0.00 57.70 56.99 1q81 n MET 59 Cb 0.07 -2.32 -0.04 0.00 -0.71 0.00 0.00 33.22 30.21 1q81 n MET 59 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1q81 h SER 60 N 0.00 -0.53 0.15 7.83 0.02 -0.93 -1.55 113.55 118.54 1q81 h SER 60 Ca 0.81 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.83 1q81 h SER 60 Cb 2.38 0.22 0.00 0.00 0.14 0.00 0.00 62.40 65.14 1q81 h SER 60 CO -0.58 -0.24 -0.07 0.74 -1.14 0.00 0.00 176.83 175.53 1q81 h THR 61 N -0.29 0.98 -0.96 -2.27 2.02 0.14 -2.68 112.91 109.85 1q81 h THR 61 Ca 0.06 -0.58 0.12 0.00 0.77 0.00 0.00 66.41 66.78 1q81 h THR 61 Cb 0.36 1.33 -0.14 0.00 -1.74 0.00 0.00 68.15 67.97 1q81 h THR 61 CO -0.17 0.14 -0.46 -0.38 0.37 0.00 0.00 175.52 175.02 1q81 n ILE 62 N -5.05 -0.57 -0.30 3.11 5.41 -0.32 0.18 119.36 121.82 1q81 n ILE 62 Ca -0.09 2.29 0.09 0.00 1.00 0.00 0.00 62.75 66.05 1q81 n ILE 62 Cb 0.20 -2.94 0.32 0.00 -0.71 0.00 0.00 39.64 36.51 1q81 n ILE 62 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1q81 h GLY 63 N 0.00 1.34 1.13 7.39 0.00 -1.22 0.07 103.07 111.78 1q81 h GLY 63 Ca 0.26 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 47.15 1q81 h GLY 63 CO -0.94 0.14 0.04 -0.84 0.00 0.00 0.00 176.54 174.95 1q81 h THR 64 N 0.83 1.26 -0.34 4.70 2.02 0.22 -2.49 112.91 119.11 1q81 h THR 64 Ca 0.45 -1.10 -0.06 0.00 0.77 0.00 0.00 66.41 66.47 1q81 h THR 64 Cb 0.56 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1q81 h THR 64 CO -0.21 0.40 -0.02 -0.26 0.37 0.00 0.00 175.52 175.80 1q81 h PHE 65 N 0.97 0.67 0.00 3.16 0.05 0.85 -1.85 116.94 120.78 1q81 h PHE 65 Ca 0.18 -0.12 0.00 0.00 3.82 0.00 0.00 57.97 61.85 1q81 h PHE 65 Cb 0.50 -0.17 0.00 0.00 2.00 0.00 0.00 35.95 38.28 1q81 h PHE 65 CO 0.03 0.73 0.00 0.94 -0.18 0.00 0.00 178.31 179.84 1q81 n GLN 66 N -4.50 0.00 -0.36 1.51 7.27 -0.12 -0.97 117.38 120.20 1q81 n GLN 66 Ca -0.02 0.53 0.28 0.00 0.07 0.00 0.00 57.00 57.86 1q81 n GLN 66 Cb 0.28 -1.30 0.54 0.00 2.41 0.00 0.00 30.24 32.18 1q81 n GLN 66 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 1q81 h SER 67 N 0.00 0.41 -0.28 1.69 0.02 -1.51 0.33 113.55 114.21 1q81 h SER 67 Ca 0.00 0.17 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1q81 h SER 67 Cb 0.00 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1q81 h SER 67 CO 0.00 -0.16 0.14 0.45 -1.14 0.00 0.00 176.83 176.11 1q81 h HIS 68 N 0.23 0.25 0.08 3.45 3.86 -0.67 -0.00 115.15 122.35 1q81 h HIS 68 Ca 0.76 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.98 1q81 h HIS 68 Cb 1.97 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 30.37 1q81 h HIS 68 CO -0.01 0.14 -0.04 0.82 0.86 0.00 0.00 177.93 179.70 1q81 h ILE 69 N 0.29 1.07 -0.82 2.45 2.04 0.14 -2.68 117.51 120.01 1q81 h ILE 69 Ca 0.12 -0.55 0.10 0.00 1.00 0.00 0.00 64.86 65.53 1q81 h ILE 69 Cb 0.04 1.43 -0.08 0.00 -0.74 0.00 0.00 36.82 37.47 1q81 h ILE 69 CO -0.08 0.14 0.46 -0.33 0.00 0.00 0.00 178.15 178.33 1q81 h GLU 70 N -0.36 0.73 -0.03 2.37 5.08 -1.12 0.33 114.58 121.58 1q81 h GLU 70 Ca -0.01 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1q81 h GLU 70 Cb 0.31 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1q81 h GLU 70 CO 0.02 0.48 0.02 -0.91 -1.00 0.00 0.00 179.01 177.62 1q81 h ASN 71 N 0.75 0.00 0.08 1.42 4.21 -0.87 -0.21 115.58 120.96 1q81 h ASN 71 Ca 0.40 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.91 1q81 h ASN 71 Cb 0.41 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.61 1q81 h ASN 71 CO -0.27 0.00 -0.04 0.24 -1.29 0.00 0.00 177.43 176.08 1q81 h MET 72 N 0.00 -0.10 -0.41 0.81 2.86 -0.07 -1.13 114.93 116.89 1q81 h MET 72 Ca 0.01 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.71 1q81 h MET 72 Cb 0.05 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 31.65 1q81 h MET 72 CO -0.00 0.39 -0.52 0.74 1.06 0.00 0.00 176.91 178.57 1q81 h PHE 73 N -0.65 -1.58 -0.88 -0.22 0.05 0.01 0.04 116.94 113.71 1q81 h PHE 73 Ca -0.01 0.08 0.14 0.00 3.82 0.00 0.00 57.97 61.99 1q81 h PHE 73 Cb 0.53 0.74 -0.09 0.00 2.00 0.00 0.00 35.95 39.14 1q81 h PHE 73 CO 0.10 -0.48 0.49 1.25 -0.18 0.00 0.00 178.31 179.49 1q81 h HIS 74 N -0.38 0.87 -0.46 -0.55 2.76 -1.09 -2.72 115.15 113.58 1q81 h HIS 74 Ca 0.09 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.25 1q81 h HIS 74 Cb 0.60 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.28 1q81 h HIS 74 CO -0.70 0.26 0.09 0.78 -1.30 0.00 0.00 177.93 177.06 1q81 h GLY 75 N 0.72 0.81 2.00 5.26 0.00 0.30 0.45 103.07 112.61 1q81 h GLY 75 Ca 0.47 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1q81 h GLY 75 CO -0.33 0.49 0.00 -0.39 0.00 0.00 0.00 176.54 176.31 1q81 h VAL 76 N 0.62 0.00 0.00 4.60 -1.51 -1.00 -3.02 116.25 115.94 1q81 h VAL 76 Ca 0.14 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1q81 h VAL 76 Cb 0.36 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 1q81 h VAL 76 CO 0.01 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 176.70 1q81 n THR 77 N -2.92 0.00 -0.27 7.19 -2.24 -1.05 0.63 114.28 115.62 1q81 n THR 77 Ca 0.01 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.81 1q81 n THR 77 Cb 0.32 -0.17 0.23 0.00 -2.10 0.00 0.00 70.33 68.61 1q81 n THR 77 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1q81 h GLU 78 N 0.00 1.03 0.00 -0.78 5.08 -1.47 -3.40 114.58 115.04 1q81 h GLU 78 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1q81 h GLU 78 Cb 0.00 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.02 1q81 h GLU 78 CO 0.00 0.68 0.00 0.41 -1.00 0.00 0.00 179.01 179.10 1q81 n GLY 79 N -1.41 -0.07 3.11 -3.84 0.00 0.15 -4.98 105.19 98.16 1q81 n GLY 79 Ca 0.11 -1.89 -0.25 0.00 0.00 0.00 0.00 46.02 43.99 1q81 n GLY 79 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1q81 s TRP 80 N -1.29 1.52 -0.02 1.61 0.52 -0.56 -4.63 118.94 116.09 1q81 s TRP 80 Ca 0.00 -0.40 -0.02 0.00 0.02 0.00 0.00 56.10 55.69 1q81 s TRP 80 Cb 0.00 -1.02 0.00 0.00 -1.15 0.00 0.00 33.47 31.30 1q81 s TRP 80 CO 0.00 -0.13 0.06 -1.21 0.02 0.00 0.00 176.95 175.69 1q81 s GLU 81 N -0.00 0.12 -0.07 4.98 2.02 -1.25 -1.01 118.70 123.49 1q81 s GLU 81 Ca -0.02 0.01 0.04 0.00 0.02 0.00 0.00 54.97 55.02 1q81 s GLU 81 Cb -0.10 0.05 -0.00 0.00 0.10 0.00 0.00 34.13 34.18 1q81 s GLU 81 CO 0.01 -0.02 -0.19 0.71 0.02 0.00 0.00 175.26 175.79 1q81 s TYR 82 N -0.15 2.02 -0.07 1.61 1.51 0.19 -3.62 117.35 118.82 1q81 s TYR 82 Ca -0.02 -0.69 -0.12 0.00 -1.01 0.00 0.00 57.07 55.23 1q81 s TYR 82 Cb -0.02 -1.36 -0.05 0.00 -0.11 0.00 0.00 41.96 40.42 1q81 s TYR 82 CO 0.00 -0.27 0.29 0.20 -1.11 0.00 0.00 175.55 174.66 1q81 s GLY 83 N 0.21 2.31 0.04 0.71 0.00 -0.66 -0.63 107.32 109.30 1q81 s GLY 83 Ca -0.10 -0.42 0.03 0.00 0.00 0.00 0.00 44.72 44.23 1q81 s GLY 83 CO 0.05 -0.01 -0.10 1.06 0.00 0.00 0.00 173.10 174.10 1q81 s MET 84 N -0.81 0.64 -0.24 2.90 -1.94 0.03 0.26 119.30 120.13 1q81 s MET 84 Ca 0.19 -0.75 0.00 0.00 -1.71 0.00 0.00 55.69 53.43 1q81 s MET 84 Cb -0.14 -0.51 0.07 0.00 2.01 0.00 0.00 34.83 36.25 1q81 s MET 84 CO 0.08 0.11 -0.02 -1.21 -0.01 0.00 0.00 175.02 173.98 1q81 s GLU 85 N -1.41 1.37 0.46 2.03 2.02 -0.23 0.52 118.70 123.45 1q81 s GLU 85 Ca -0.05 -0.97 -0.25 0.00 0.02 0.00 0.00 54.97 53.72 1q81 s GLU 85 Cb -0.09 -2.50 -0.08 0.00 0.10 0.00 0.00 34.13 31.57 1q81 s GLU 85 CO 0.01 -0.67 1.38 0.54 0.02 0.00 0.00 175.26 176.54 1q81 s VAL 86 N 1.46 2.22 -0.17 2.63 0.11 -1.22 -3.08 120.40 122.35 1q81 s VAL 86 Ca -0.02 0.19 -0.11 0.00 -2.93 0.00 0.00 61.98 59.10 1q81 s VAL 86 Cb -0.18 -3.11 0.06 0.00 -1.53 0.00 0.00 36.38 31.61 1q81 s VAL 86 CO -0.09 0.02 0.43 0.12 -3.33 0.00 0.00 175.10 172.26 1q81 s PHE 87 N -1.24 -0.59 0.14 1.54 5.36 -0.73 -4.90 117.98 117.54 1q81 s PHE 87 Ca 0.62 1.30 -0.00 0.00 -0.96 0.00 0.00 56.93 57.89 1q81 s PHE 87 Cb -0.41 0.26 -0.04 0.00 -0.34 0.00 0.00 43.02 42.48 1q81 s PHE 87 CO 0.52 -0.32 0.04 1.52 -1.46 0.00 0.00 175.22 175.52 1q81 s TYR 88 N 1.08 0.93 -0.03 10.12 -0.85 -1.26 -1.10 117.35 126.23 1q81 s TYR 88 Ca -0.07 -1.18 0.01 0.00 -0.52 0.00 0.00 57.07 55.31 1q81 s TYR 88 Cb -0.07 -0.53 -0.02 0.00 0.38 0.00 0.00 41.96 41.72 1q81 s TYR 88 CO -0.09 -0.44 -0.02 -1.13 -1.52 0.00 0.00 175.55 172.34 1q81 n SER 89 N -0.12 3.91 0.00 -0.18 3.41 -1.26 -4.95 113.62 114.42 1q81 n SER 89 Ca -0.06 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1q81 n SER 89 Cb 0.63 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.69 1q81 n SER 89 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1q81 n HIS 90 N -2.47 0.00 -3.24 7.33 -0.00 -1.26 -5.03 115.22 110.56 1q81 n HIS 90 Ca -0.05 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.27 1q81 n HIS 90 Cb 0.57 0.12 -0.08 0.00 -0.00 0.00 0.00 29.99 30.60 1q81 n HIS 90 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1q81 s PHE 91 N -1.94 3.25 -0.14 1.57 0.40 -1.26 -5.01 117.98 114.85 1q81 s PHE 91 Ca 0.00 0.54 -0.29 0.00 -0.60 0.00 0.00 56.93 56.58 1q81 s PHE 91 Cb 0.00 -2.76 -0.05 0.00 0.51 0.00 0.00 43.02 40.72 1q81 s PHE 91 CO 0.00 -0.33 1.93 -2.14 0.70 0.00 0.00 175.22 175.38 1q81 s PRO 92 N 2.32 3.67 -0.05 0.24 0.02 -1.26 -4.76 135.00 135.18 1q81 s PRO 92 Ca 0.20 2.08 -0.26 0.00 0.02 0.00 0.00 61.00 63.04 1q81 s PRO 92 Cb -0.16 -4.19 -0.03 0.00 0.02 0.00 0.00 34.50 30.14 1q81 s PRO 92 CO 0.10 -1.47 0.83 1.41 -0.33 0.00 0.00 177.00 177.53 1q81 s MET 93 N 5.19 4.47 -0.32 5.54 1.75 -1.26 -4.80 119.30 129.87 1q81 s MET 93 Ca 0.87 1.12 -0.05 0.00 -1.25 0.00 0.00 55.69 56.37 1q81 s MET 93 Cb -0.33 -3.47 0.04 0.00 2.84 0.00 0.00 34.83 33.91 1q81 s MET 93 CO 0.35 -0.02 0.07 -0.65 -0.65 0.00 0.00 175.02 174.12 1q81 s GLN 94 N 1.03 2.63 -0.27 4.11 -0.21 -0.79 -4.97 119.66 121.19 1q81 s GLN 94 Ca 0.44 -1.16 -0.08 0.00 0.02 0.00 0.00 55.36 54.58 1q81 s GLN 94 Cb -0.19 -3.38 -0.01 0.00 1.00 0.00 0.00 33.01 30.43 1q81 s GLN 94 CO 0.21 -0.62 0.09 0.08 -2.12 0.00 0.00 175.29 172.93 1q81 s VAL 95 N 1.38 4.26 0.13 1.09 1.01 -1.26 -0.02 120.40 126.98 1q81 s VAL 95 Ca -0.02 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.66 1q81 s VAL 95 Cb -0.19 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1q81 s VAL 95 CO 0.02 0.22 -0.14 0.20 0.00 0.00 0.00 175.10 175.40 1q81 s ASN 96 N 1.58 2.07 -0.26 3.32 -0.87 0.23 -4.98 114.94 116.04 1q81 s ASN 96 Ca 0.05 -0.82 -0.09 0.00 -1.57 0.00 0.00 52.86 50.43 1q81 s ASN 96 Cb -0.16 -0.08 -0.04 0.00 -0.02 0.00 0.00 41.25 40.95 1q81 s ASN 96 CO 0.04 -0.13 0.12 -0.69 -2.57 0.00 0.00 177.10 173.86 1q81 s VAL 97 N -2.13 4.80 -0.26 1.60 1.01 -1.26 0.93 120.40 125.08 1q81 s VAL 97 Ca 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 1q81 s VAL 97 Cb -0.05 -3.26 0.08 0.00 0.00 0.00 0.00 36.38 33.16 1q81 s VAL 97 CO 0.03 0.31 0.06 -1.61 0.00 0.00 0.00 175.10 173.89 1q81 s GLU 98 N 1.55 0.80 4.51 2.72 2.02 -0.71 -4.95 118.70 124.63 1q81 s GLU 98 Ca 0.06 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.24 1q81 s GLU 98 Cb -0.15 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 31.98 1q81 s GLU 98 CO 0.06 -0.81 0.00 0.41 0.02 0.00 0.00 175.26 174.94 1q81 n GLY 99 N 4.91 0.95 1.86 -1.39 0.00 -1.26 -3.54 105.19 106.71 1q81 n GLY 99 Ca -0.06 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 44.91 1q81 n GLY 99 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q81 n ASP 100 N 5.19 4.91 -3.64 1.61 8.00 -1.26 -4.97 116.55 126.39 1q81 n ASP 100 Ca 0.00 -3.78 -0.08 0.00 0.71 0.00 0.00 54.79 51.64 1q81 n ASP 100 Cb 0.00 -0.57 -0.07 0.00 -0.02 0.00 0.00 41.12 40.47 1q81 n ASP 100 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1q81 s GLU 101 N -3.56 0.70 0.19 -1.24 -1.05 -1.23 -0.82 118.70 111.68 1q81 s GLU 101 Ca 0.52 1.08 -0.30 0.00 -0.15 0.00 0.00 54.97 56.13 1q81 s GLU 101 Cb 0.43 0.21 -0.08 0.00 -0.44 0.00 0.00 34.13 34.25 1q81 s GLU 101 CO 0.01 -0.13 0.96 0.54 0.95 0.00 0.00 175.26 177.60 1q81 s VAL 102 N 1.22 4.22 -0.05 1.83 0.11 -0.94 -1.74 120.40 125.05 1q81 s VAL 102 Ca -0.07 2.05 0.05 0.00 -2.93 0.00 0.00 61.98 61.09 1q81 s VAL 102 Cb -0.05 -4.31 -0.02 0.00 -1.53 0.00 0.00 36.38 30.47 1q81 s VAL 102 CO -0.13 0.41 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.16 1q81 s VAL 103 N -0.67 2.53 -0.17 2.04 1.01 0.26 -2.58 120.40 122.82 1q81 s VAL 103 Ca 0.44 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1q81 s VAL 103 Cb -0.25 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.19 1q81 s VAL 103 CO 0.31 0.58 -0.18 -0.63 0.00 0.00 0.00 175.10 175.19 1q81 s ILE 104 N -0.53 2.33 0.20 2.22 1.01 0.27 -0.60 121.20 126.10 1q81 s ILE 104 Ca 0.07 -0.86 0.09 0.00 0.00 0.00 0.00 60.65 59.95 1q81 s ILE 104 Cb -0.11 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 1q81 s ILE 104 CO 0.01 0.52 -0.10 -1.61 0.00 0.00 0.00 174.94 173.76 1q81 s GLU 105 N 1.10 2.02 -1.62 2.79 2.02 0.97 -0.21 118.70 125.76 1q81 s GLU 105 Ca -0.00 -1.34 0.00 0.00 0.02 0.00 0.00 54.97 53.65 1q81 s GLU 105 Cb -0.14 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 31.98 1q81 s GLU 105 CO -0.06 0.42 0.00 -1.71 0.02 0.00 0.00 175.26 173.92 1q81 n ASN 106 N -0.08 -5.41 -4.69 -0.19 4.05 -1.20 -1.89 115.26 105.84 1q81 n ASN 106 Ca -0.10 0.05 -0.42 0.00 0.45 0.00 0.00 54.58 54.56 1q81 n ASN 106 Cb 0.56 -4.53 -0.03 0.00 1.23 0.00 0.00 39.78 37.01 1q81 n ASN 106 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 1q81 s PHE 107 N -2.93 2.64 -0.93 1.20 5.36 -1.26 -2.60 117.98 119.47 1q81 s PHE 107 Ca 0.00 0.57 0.00 0.00 -0.96 0.00 0.00 56.93 56.54 1q81 s PHE 107 Cb 0.00 -3.82 0.00 0.00 -0.34 0.00 0.00 43.02 38.86 1q81 s PHE 107 CO 0.00 -3.16 0.00 1.28 -1.46 0.00 0.00 175.22 171.88 1q81 n LEU 108 N 5.48 -0.89 0.00 6.12 4.32 -1.26 0.15 117.00 130.92 1q81 n LEU 108 Ca 0.14 0.25 0.00 0.00 -0.02 0.00 0.00 56.01 56.38 1q81 n LEU 108 Cb 0.42 -1.87 0.00 0.00 -1.62 0.00 0.00 43.42 40.35 1q81 n LEU 108 CO 0.61 -0.22 0.00 0.61 -1.22 0.00 0.00 177.39 177.17 1q81 n GLY 109 N -0.60 0.75 3.69 -0.72 0.00 -1.07 -5.02 105.19 102.22 1q81 n GLY 109 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1q81 n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q81 s GLU 110 N -0.50 4.15 0.16 1.61 2.02 0.12 -4.90 118.70 121.36 1q81 s GLU 110 Ca 0.00 2.52 -0.08 0.00 0.02 0.00 0.00 54.97 57.43 1q81 s GLU 110 Cb 0.00 -3.63 0.03 0.00 0.10 0.00 0.00 34.13 30.63 1q81 s GLU 110 CO 0.00 -0.82 1.49 0.87 0.02 0.00 0.00 175.26 176.82 1q81 h LYS 111 N 8.63 0.78 -5.98 1.61 1.57 -1.95 -3.19 116.57 118.05 1q81 h LYS 111 Ca -0.45 -0.44 -0.58 0.00 -1.87 0.00 0.00 60.65 57.30 1q81 h LYS 111 Cb 1.21 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.49 1q81 h LYS 111 CO 0.94 1.07 0.60 0.00 -0.57 0.00 0.00 179.45 181.50 1q81 s ALA 112 N -4.23 3.62 0.58 3.86 0.00 -1.26 -4.83 121.76 119.49 1q81 s ALA 112 Ca -0.10 0.07 -0.19 0.00 0.00 0.00 0.00 51.96 51.74 1q81 s ALA 112 Cb 0.11 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 1q81 s ALA 112 CO 0.87 -0.90 1.23 -2.14 0.00 0.00 0.00 175.76 174.82 1q81 s PRO 113 N 2.79 3.02 -0.11 0.00 0.02 -1.26 -4.79 135.00 134.66 1q81 s PRO 113 Ca 0.40 1.89 -0.01 0.00 0.02 0.00 0.00 61.00 63.30 1q81 s PRO 113 Cb -0.16 -1.99 -0.03 0.00 0.02 0.00 0.00 34.50 32.34 1q81 s PRO 113 CO 0.09 -1.19 -0.06 1.03 -0.33 0.00 0.00 177.00 176.54 1q81 s ARG 114 N -3.24 3.21 0.14 5.54 0.52 0.70 -4.95 118.95 120.87 1q81 s ARG 114 Ca 0.76 -0.54 -0.06 0.00 -0.52 0.00 0.00 55.73 55.37 1q81 s ARG 114 Cb -0.32 -2.74 -0.02 0.00 0.52 0.00 0.00 34.95 32.39 1q81 s ARG 114 CO 0.35 0.45 0.19 -0.98 0.02 0.00 0.00 175.30 175.33 1q81 s ARG 115 N -0.23 1.03 -0.06 3.54 1.70 -1.26 0.97 118.95 124.64 1q81 s ARG 115 Ca 0.03 -1.23 -0.17 0.00 -0.47 0.00 0.00 55.73 53.89 1q81 s ARG 115 Cb -0.13 0.32 0.03 0.00 -0.57 0.00 0.00 34.95 34.61 1q81 s ARG 115 CO 0.02 -0.34 0.38 -0.08 -1.08 0.00 0.00 175.30 174.21 1q81 s THR 116 N -3.98 0.03 -0.13 4.99 -1.32 -1.07 -5.04 115.64 109.13 1q81 s THR 116 Ca 0.18 -0.28 -0.20 0.00 -1.21 0.00 0.00 61.69 60.18 1q81 s THR 116 Cb 0.05 -0.65 -0.04 0.00 -1.51 0.00 0.00 72.50 70.35 1q81 s THR 116 CO -0.01 -0.15 0.55 -0.89 -2.21 0.00 0.00 174.62 171.90 1q81 s THR 117 N -0.87 5.13 0.68 5.08 2.01 -1.26 -2.22 115.64 124.19 1q81 s THR 117 Ca -0.09 1.08 -0.16 0.00 0.31 0.00 0.00 61.69 62.83 1q81 s THR 117 Cb -0.04 -3.88 0.01 0.00 0.01 0.00 0.00 72.50 68.60 1q81 s THR 117 CO 0.04 0.26 1.17 -0.63 -0.69 0.00 0.00 174.62 174.77 1q81 s ILE 118 N 0.97 2.69 -0.20 1.82 1.01 -0.00 -4.96 121.20 122.53 1q81 s ILE 118 Ca 0.28 0.35 -0.08 0.00 0.00 0.00 0.00 60.65 61.19 1q81 s ILE 118 Cb -0.16 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 1q81 s ILE 118 CO 0.12 -0.17 0.09 -1.00 0.00 0.00 0.00 174.94 173.98 1q81 s HIS 119 N -2.04 3.29 0.00 3.97 3.76 -1.26 -4.94 115.29 118.07 1q81 s HIS 119 Ca 0.72 0.13 0.00 0.00 -0.15 0.00 0.00 55.06 55.76 1q81 s HIS 119 Cb -0.26 -2.13 0.00 0.00 1.11 0.00 0.00 32.58 31.30 1q81 s HIS 119 CO 0.42 0.15 0.00 0.41 -0.85 0.00 0.00 174.74 174.86 1q81 n GLY 120 N 3.70 1.61 2.53 -2.22 0.00 -1.26 -3.29 105.19 106.27 1q81 n GLY 120 Ca -0.16 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 1q81 n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q81 n ASP 121 N -1.87 7.08 -4.80 1.61 8.00 -1.26 -4.93 116.55 120.39 1q81 n ASP 121 Ca 0.00 -3.27 -0.36 0.00 0.71 0.00 0.00 54.79 51.86 1q81 n ASP 121 Cb 0.00 -1.25 -0.07 0.00 -0.02 0.00 0.00 41.12 39.78 1q81 n ASP 121 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1q81 s THR 122 N -2.29 5.36 -0.22 -3.53 2.01 -1.21 -4.52 115.64 111.25 1q81 s THR 122 Ca 0.56 0.38 -0.08 0.00 0.31 0.00 0.00 61.69 62.85 1q81 s THR 122 Cb 0.32 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 1q81 s THR 122 CO -0.20 0.51 0.10 -1.81 -0.69 0.00 0.00 174.62 172.53 1q81 s ASP 123 N -0.29 5.69 -0.70 3.53 1.01 0.23 -4.91 116.67 121.23 1q81 s ASP 123 Ca 0.15 0.03 -0.02 0.00 0.71 0.00 0.00 52.55 53.42 1q81 s ASP 123 Cb -0.13 -2.00 0.18 0.00 1.01 0.00 0.00 42.92 41.98 1q81 s ASP 123 CO 0.04 0.09 0.52 -0.69 0.21 0.00 0.00 175.17 175.34 1q81 s VAL 124 N 0.86 3.75 -0.26 -1.27 1.01 -1.26 -0.58 120.40 122.66 1q81 s VAL 124 Ca 0.05 -3.33 -0.19 0.00 0.00 0.00 0.00 61.98 58.50 1q81 s VAL 124 Cb -0.13 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 1q81 s VAL 124 CO 0.03 -0.94 0.59 -1.61 0.00 0.00 0.00 175.10 173.17 1q81 s GLU 125 N -0.54 4.07 -0.18 2.72 2.02 -0.78 -4.90 118.70 121.11 1q81 s GLU 125 Ca 0.20 0.45 -0.06 0.00 0.02 0.00 0.00 54.97 55.58 1q81 s GLU 125 Cb -0.16 -3.66 -0.03 0.00 0.10 0.00 0.00 34.13 30.38 1q81 s GLU 125 CO -0.06 -0.41 0.03 -1.50 0.02 0.00 0.00 175.26 173.34 1q81 s ILE 126 N 2.45 4.42 -0.34 -1.63 2.07 -1.26 -1.85 121.20 125.06 1q81 s ILE 126 Ca 0.24 -0.16 -0.01 0.00 -1.41 0.00 0.00 60.65 59.32 1q81 s ILE 126 Cb -0.15 -2.99 0.11 0.00 0.13 0.00 0.00 42.46 39.56 1q81 s ILE 126 CO 0.09 0.45 0.15 -0.62 -1.91 0.00 0.00 174.94 173.10 1q81 s ASP 127 N 0.57 3.68 1.43 4.50 -1.08 -0.62 -5.04 116.67 120.11 1q81 s ASP 127 Ca 0.01 -1.85 0.00 0.00 -0.52 0.00 0.00 52.55 50.19 1q81 s ASP 127 Cb -0.13 -0.71 0.00 0.00 -1.46 0.00 0.00 42.92 40.61 1q81 s ASP 127 CO 0.02 -0.37 0.00 0.61 0.52 0.00 0.00 175.17 175.94 1q81 n GLY 128 N 4.54 1.92 2.18 2.66 0.00 -1.26 -2.68 105.19 112.55 1q81 n GLY 128 Ca 0.02 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 1q81 n GLY 128 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q81 n GLU 129 N 12.85 2.29 -4.09 1.61 -0.58 -1.26 -4.88 120.64 126.59 1q81 n GLU 129 Ca 0.00 -2.88 -0.14 0.00 -0.42 0.00 0.00 57.16 53.72 1q81 n GLU 129 Cb 0.00 -2.13 -0.13 0.00 -0.57 0.00 0.00 31.44 28.61 1q81 n GLU 129 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1q81 s GLU 130 N -3.22 0.38 0.12 3.49 2.02 -1.09 -3.39 118.70 117.01 1q81 s GLU 130 Ca 0.55 -0.32 0.07 0.00 0.02 0.00 0.00 54.97 55.30 1q81 s GLU 130 Cb 0.45 -0.30 -0.04 0.00 0.10 0.00 0.00 34.13 34.35 1q81 s GLU 130 CO 0.06 0.07 -0.17 -0.51 0.02 0.00 0.00 175.26 174.74 1q81 s LEU 131 N -0.52 2.36 -0.19 1.80 1.43 0.18 -1.58 118.68 122.17 1q81 s LEU 131 Ca -0.02 -0.75 -0.05 0.00 -1.03 0.00 0.00 54.13 52.28 1q81 s LEU 131 Cb -0.04 -0.70 0.07 0.00 0.03 0.00 0.00 46.19 45.56 1q81 s LEU 131 CO -0.00 -0.05 0.14 0.28 0.23 0.00 0.00 176.35 176.94 1q81 s THR 132 N -1.70 -0.17 -0.19 5.49 -1.32 -0.77 -0.79 115.64 116.19 1q81 s THR 132 Ca 0.08 -0.16 -0.15 0.00 -1.21 0.00 0.00 61.69 60.25 1q81 s THR 132 Cb -0.07 -0.62 -0.04 0.00 -1.51 0.00 0.00 72.50 70.25 1q81 s THR 132 CO 0.04 -0.27 0.33 -0.69 -2.21 0.00 0.00 174.62 171.82 1q81 s VAL 133 N 2.21 5.26 0.02 5.08 1.01 0.20 -1.86 120.40 132.31 1q81 s VAL 133 Ca 0.04 0.59 -0.08 0.00 0.00 0.00 0.00 61.98 62.53 1q81 s VAL 133 Cb -0.16 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1q81 s VAL 133 CO -0.11 0.31 0.16 -0.94 0.00 0.00 0.00 175.10 174.52 1q81 s SER 134 N 0.83 0.05 0.00 3.32 1.04 0.26 0.53 113.70 119.72 1q81 s SER 134 Ca 0.17 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1q81 s SER 134 Cb -0.14 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1q81 s SER 134 CO 0.06 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1q81 n GLY 135 N 1.03 0.75 0.18 7.32 0.00 -0.18 0.74 105.19 115.03 1q81 n GLY 135 Ca -0.21 -0.84 0.08 0.00 0.00 0.00 0.00 46.02 45.06 1q81 n GLY 135 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q81 h PRO 136 N 0.00 0.00 -4.99 1.61 0.13 -1.80 -1.50 132.00 125.46 1q81 h PRO 136 Ca 0.00 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.45 1q81 h PRO 136 Cb 0.00 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 30.95 1q81 h PRO 136 CO 0.00 0.21 0.09 0.34 -0.23 0.00 0.00 178.00 178.42 1q81 s ASP 137 N -6.27 6.23 0.27 1.44 -1.08 -1.26 -4.28 116.67 111.71 1q81 s ASP 137 Ca 0.05 -0.94 -0.04 0.00 -0.52 0.00 0.00 52.55 51.11 1q81 s ASP 137 Cb 0.06 -2.30 0.34 0.00 -1.46 0.00 0.00 42.92 39.56 1q81 s ASP 137 CO 0.71 -0.94 1.92 -0.29 0.52 0.00 0.00 175.17 177.08 1q81 h ILE 138 N 5.88 1.24 0.55 4.11 2.10 -1.87 -1.53 117.51 127.99 1q81 h ILE 138 Ca -0.28 -0.51 -0.02 0.00 1.08 0.00 0.00 64.86 65.13 1q81 h ILE 138 Cb 1.09 0.03 -0.02 0.00 -1.09 0.00 0.00 36.82 36.83 1q81 h ILE 138 CO 0.99 0.25 -0.50 -0.33 -1.08 0.00 0.00 178.15 177.48 1q81 h GLU 139 N 1.18 -0.99 0.06 2.19 4.39 -1.99 0.25 114.58 119.67 1q81 h GLU 139 Ca 0.31 0.07 0.02 0.00 0.34 0.00 0.00 59.36 60.09 1q81 h GLU 139 Cb -0.05 0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 28.77 1q81 h GLU 139 CO -0.06 -0.66 -0.51 0.00 -1.16 0.00 0.00 179.01 176.62 1q81 h ALA 140 N -0.98 -0.96 -0.01 3.43 0.00 -1.83 -1.87 119.26 117.05 1q81 h ALA 140 Ca -0.07 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1q81 h ALA 140 Cb 0.88 0.91 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 1q81 h ALA 140 CO -0.03 -1.10 -0.18 0.28 0.00 0.00 0.00 179.25 178.22 1q81 h VAL 141 N -0.69 0.00 -1.06 0.00 2.07 -1.18 0.13 116.25 115.53 1q81 h VAL 141 Ca 0.00 0.00 0.41 0.00 0.82 0.00 0.00 66.70 67.93 1q81 h VAL 141 Cb 0.71 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.31 1q81 h VAL 141 CO -0.31 0.00 0.60 1.23 0.02 0.00 0.00 177.57 179.11 1q81 h GLY 142 N -0.21 2.10 1.10 2.17 0.00 -0.44 0.71 103.07 108.50 1q81 h GLY 142 Ca 0.01 -0.16 -0.23 0.00 0.00 0.00 0.00 47.33 46.95 1q81 h GLY 142 CO -0.13 -0.71 -0.85 1.46 0.00 0.00 0.00 176.54 176.32 1q81 h GLN 143 N 0.06 0.67 -0.92 4.80 1.08 -0.45 -2.06 115.11 118.28 1q81 h GLN 143 Ca 0.83 -0.65 0.03 0.00 -1.45 0.00 0.00 58.65 57.42 1q81 h GLN 143 Cb 2.24 0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 29.78 1q81 h GLN 143 CO -0.69 1.25 0.60 1.15 -0.95 0.00 0.00 178.83 180.18 1q81 h THR 144 N 0.33 1.16 0.65 -0.54 2.02 0.30 0.47 112.91 117.31 1q81 h THR 144 Ca -0.09 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 1q81 h THR 144 Cb 1.50 -0.11 0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1q81 h THR 144 CO 0.17 0.21 -0.31 0.00 0.37 0.00 0.00 175.52 175.96 1q81 h ALA 145 N 1.38 -1.09 -0.88 6.16 0.00 -0.94 -2.43 119.26 121.45 1q81 h ALA 145 Ca 0.37 -0.19 0.23 0.00 0.00 0.00 0.00 54.91 55.32 1q81 h ALA 145 Cb -0.01 0.34 -0.14 0.00 0.00 0.00 0.00 17.79 17.98 1q81 h ALA 145 CO -0.12 -1.03 0.25 0.00 0.00 0.00 0.00 179.25 178.35 1q81 h ALA 146 N -1.48 1.29 -0.52 0.00 0.00 -1.02 0.96 119.26 118.49 1q81 h ALA 146 Ca -0.09 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1q81 h ALA 146 Cb 0.67 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1q81 h ALA 146 CO 0.15 -0.46 0.23 -0.44 0.00 0.00 0.00 179.25 178.72 1q81 h ASP 147 N 0.22 0.69 -0.74 0.00 3.32 -0.04 0.18 116.42 120.05 1q81 h ASP 147 Ca 0.55 -0.15 0.05 0.00 0.02 0.00 0.00 57.03 57.51 1q81 h ASP 147 Cb 1.12 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 40.43 1q81 h ASP 147 CO -0.65 0.65 0.44 0.40 -1.72 0.00 0.00 179.24 178.36 1q81 h ILE 148 N 0.69 1.02 -0.34 0.35 2.04 -0.33 0.83 117.51 121.78 1q81 h ILE 148 Ca 0.17 -0.28 -0.13 0.00 1.00 0.00 0.00 64.86 65.62 1q81 h ILE 148 Cb 0.16 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1q81 h ILE 148 CO -0.02 0.15 -0.30 -0.08 0.00 0.00 0.00 178.15 177.90 1q81 h GLU 149 N 0.82 0.80 -0.56 2.37 4.81 -0.90 -2.94 114.58 118.98 1q81 h GLU 149 Ca 0.32 -0.41 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1q81 h GLU 149 Cb 0.14 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1q81 h GLU 149 CO -0.16 1.04 0.12 1.96 -0.73 0.00 0.00 179.01 181.24 1q81 h GLN 150 N 0.57 0.86 -0.50 1.92 1.08 0.17 -2.77 115.11 116.45 1q81 h GLN 150 Ca 0.06 -0.18 0.14 0.00 -1.45 0.00 0.00 58.65 57.22 1q81 h GLN 150 Cb 0.88 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.16 1q81 h GLN 150 CO 0.08 0.78 0.55 1.25 -0.95 0.00 0.00 178.83 180.53 1q81 h LEU 151 N 0.83 0.00 -3.63 1.46 5.85 0.85 0.42 115.31 121.10 1q81 h LEU 151 Ca 0.18 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.61 1q81 h LEU 151 Cb 0.32 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.18 1q81 h LEU 151 CO 0.00 0.00 0.23 0.35 -0.34 0.00 0.00 178.44 178.68 1q81 n THR 152 N -3.66 2.82 -2.19 1.05 -2.24 -1.04 -4.97 114.28 104.05 1q81 n THR 152 Ca 0.10 -2.21 -0.38 0.00 -2.27 0.00 0.00 64.05 59.28 1q81 n THR 152 Cb 0.74 -0.37 -0.01 0.00 -2.10 0.00 0.00 70.33 68.59 1q81 n THR 152 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1q81 s ARG 153 N -3.19 3.90 -0.04 -0.78 3.52 0.15 -4.80 118.95 117.71 1q81 s ARG 153 Ca 0.50 1.93 -0.00 0.00 -0.13 0.00 0.00 55.73 58.03 1q81 s ARG 153 Cb 0.43 -2.60 0.03 0.00 -1.56 0.00 0.00 34.95 31.25 1q81 s ARG 153 CO 0.07 -0.48 0.01 -1.50 -0.81 0.00 0.00 175.30 172.59 1q81 s ILE 154 N -1.40 0.18 -0.09 4.11 2.07 -1.26 -5.02 121.20 119.78 1q81 s ILE 154 Ca 0.60 0.13 0.03 0.00 -1.41 0.00 0.00 60.65 59.99 1q81 s ILE 154 Cb -0.33 -0.31 -0.08 0.00 0.13 0.00 0.00 42.46 41.88 1q81 s ILE 154 CO 0.41 0.17 -0.05 0.59 -1.91 0.00 0.00 174.94 174.14 1q81 n ASN 155 N 4.43 3.16 -0.33 4.50 3.02 -1.26 -4.74 115.26 124.03 1q81 n ASN 155 Ca -0.21 -0.04 0.14 0.00 -0.03 0.00 0.00 54.58 54.44 1q81 n ASN 155 Cb 0.50 0.11 0.35 0.00 -0.61 0.00 0.00 39.78 40.13 1q81 n ASN 155 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 1q81 h ASP 156 N 0.00 0.73 -4.88 6.41 2.03 -2.05 -3.45 116.42 115.21 1q81 h ASP 156 Ca -0.22 0.08 -0.60 0.00 -0.73 0.00 0.00 57.03 55.55 1q81 h ASP 156 Cb 1.40 -0.05 -0.12 0.00 -0.83 0.00 0.00 39.33 39.72 1q81 h ASP 156 CO -0.02 0.28 -0.45 0.29 -1.03 0.00 0.00 179.24 178.31 1q81 n LYS 157 N -4.69 0.78 -2.12 4.15 5.02 -1.26 -5.10 118.16 114.93 1q81 n LYS 157 Ca 0.22 -3.45 -0.42 0.00 -2.02 0.00 0.00 58.31 52.64 1q81 n LYS 157 Cb 0.57 1.15 -0.03 0.00 -0.02 0.00 0.00 35.03 36.70 1q81 n LYS 157 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1q81 s ASP 158 N -3.58 6.78 0.09 4.39 -1.08 -1.26 -4.91 116.67 117.10 1q81 s ASP 158 Ca 0.05 2.41 -0.08 0.00 -0.52 0.00 0.00 52.55 54.41 1q81 s ASP 158 Cb 0.00 -2.59 -0.21 0.00 -1.46 0.00 0.00 42.92 38.66 1q81 s ASP 158 CO 0.04 -0.67 1.19 0.58 0.52 0.00 0.00 175.17 176.83 1q81 h VAL 159 N 4.10 1.38 -0.01 1.11 2.07 -1.89 -1.45 116.25 121.56 1q81 h VAL 159 Ca -0.43 -2.61 0.00 0.00 0.82 0.00 0.00 66.70 64.48 1q81 h VAL 159 Cb 1.21 2.65 -0.00 0.00 -1.52 0.00 0.00 31.29 33.63 1q81 h VAL 159 CO 0.86 0.78 0.01 0.03 0.02 0.00 0.00 177.57 179.27 1q81 h ARG 160 N 0.21 0.00 0.01 1.57 3.08 -2.01 -2.73 114.38 114.51 1q81 h ARG 160 Ca -0.13 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.53 1q81 h ARG 160 Cb 1.80 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.79 1q81 h ARG 160 CO 0.20 0.00 -2.17 0.28 -1.07 0.00 0.00 179.97 177.21 1q81 n VAL 161 N -3.58 1.54 -3.17 2.04 0.31 -1.21 -4.74 118.33 109.52 1q81 n VAL 161 Ca -0.03 -0.32 -0.46 0.00 -0.01 0.00 0.00 64.34 63.52 1q81 n VAL 161 Cb 0.09 -1.87 -0.03 0.00 -0.91 0.00 0.00 33.84 31.13 1q81 n VAL 161 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1q81 s PHE 162 N -2.47 3.36 -2.52 3.52 0.40 -0.55 -4.85 117.98 114.87 1q81 s PHE 162 Ca -0.35 -1.51 0.21 0.00 -0.60 0.00 0.00 56.93 54.67 1q81 s PHE 162 Cb 0.11 -3.98 0.21 0.00 0.51 0.00 0.00 43.02 39.87 1q81 s PHE 162 CO 0.54 -1.20 1.19 1.04 0.70 0.00 0.00 175.22 177.50 1q81 n GLN 163 N 5.33 1.99 -1.58 0.44 6.02 -1.20 -4.48 117.38 123.90 1q81 n GLN 163 Ca 0.08 -1.83 -0.40 0.00 -0.01 0.00 0.00 57.00 54.84 1q81 n GLN 163 Cb 0.46 -1.41 0.02 0.00 1.02 0.00 0.00 30.24 30.33 1q81 n GLN 163 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1q81 n ASP 164 N 1.20 0.68 0.00 1.08 9.92 -1.26 -4.90 116.55 123.27 1q81 n ASP 164 Ca 0.13 0.94 0.00 0.00 -0.53 0.00 0.00 54.79 55.33 1q81 n ASP 164 Cb 0.53 -1.32 0.00 0.00 -0.64 0.00 0.00 41.12 39.69 1q81 n ASP 164 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1q81 n GLY 165 N 1.33 3.10 3.80 0.44 0.00 -0.26 -4.95 105.19 108.65 1q81 n GLY 165 Ca 0.11 -1.56 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 1q81 n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q81 s VAL 166 N -2.00 5.22 0.08 1.61 1.01 -1.26 -1.78 120.40 123.28 1q81 s VAL 166 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.13 1q81 s VAL 166 Cb 0.00 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1q81 s VAL 166 CO 0.00 0.57 -0.12 -0.31 0.00 0.00 0.00 175.10 175.24 1q81 s TYR 167 N -0.63 1.11 -0.07 5.22 1.51 -1.18 -4.29 117.35 119.02 1q81 s TYR 167 Ca 0.12 -0.55 -0.30 0.00 -1.01 0.00 0.00 57.07 55.33 1q81 s TYR 167 Cb -0.12 -0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 41.07 1q81 s TYR 167 CO 0.02 0.03 1.49 0.42 -1.11 0.00 0.00 175.55 176.40 1q81 s ILE 168 N -1.85 3.81 -0.21 2.71 -1.09 -1.26 -1.07 121.20 122.24 1q81 s ILE 168 Ca 0.01 1.03 -0.08 0.00 -2.23 0.00 0.00 60.65 59.39 1q81 s ILE 168 Cb -0.07 -3.66 -0.19 0.00 -1.58 0.00 0.00 42.46 36.96 1q81 s ILE 168 CO 0.01 -0.07 0.01 0.41 -1.23 0.00 0.00 174.94 174.07 1q81 n THR 169 N 5.27 1.60 -4.12 2.92 -1.04 0.71 -4.91 114.28 114.71 1q81 n THR 169 Ca 0.15 -0.48 -0.22 0.00 -2.04 0.00 0.00 64.05 61.47 1q81 n THR 169 Cb 0.43 -1.71 -0.17 0.00 -1.82 0.00 0.00 70.33 67.07 1q81 n THR 169 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1q81 s ARG 170 N -2.51 0.98 -0.17 -2.82 0.52 -1.00 -4.94 118.95 109.01 1q81 s ARG 170 Ca -0.31 -0.12 -0.08 0.00 -0.52 0.00 0.00 55.73 54.70 1q81 s ARG 170 Cb 0.09 -1.02 -0.04 0.00 0.52 0.00 0.00 34.95 34.49 1q81 s ARG 170 CO 0.63 -0.13 0.09 0.15 0.02 0.00 0.00 175.30 176.07 1q81 s LYS 171 N 1.17 3.91 0.00 3.54 1.02 -1.26 -1.66 119.74 126.45 1q81 s LYS 171 Ca -0.07 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 55.65 1q81 s LYS 171 Cb -0.14 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 33.92 1q81 s LYS 171 CO -0.01 0.39 0.24 -0.35 -0.92 0.00 0.00 175.35 174.69