#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wee s SER 2 N 0.00 3.88 0.32 1.61 0.01 -1.26 -5.12 113.70 113.13 1wee s SER 2 Ca 0.00 -1.73 0.05 0.00 1.31 0.00 0.00 55.95 55.58 1wee s SER 2 Cb 0.00 -0.80 -0.06 0.00 0.21 0.00 0.00 66.02 65.37 1wee s SER 2 CO 0.00 -0.40 0.00 -0.94 0.41 0.00 0.00 173.24 172.32 1wee s SER 3 N 1.51 2.72 0.00 2.44 1.04 -1.26 -5.11 113.70 115.05 1wee s SER 3 Ca 0.11 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.24 1wee s SER 3 Cb -0.18 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.78 1wee s SER 3 CO -0.23 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.13 1wee n GLY 4 N -0.68 -0.67 2.96 7.32 0.00 -1.26 -5.08 105.19 107.79 1wee n GLY 4 Ca -0.04 -2.26 -0.12 0.00 0.00 0.00 0.00 46.02 43.60 1wee n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wee s SER 5 N -0.82 0.40 -0.24 1.61 0.15 -1.26 -5.15 113.70 108.38 1wee s SER 5 Ca 0.00 -0.29 -0.29 0.00 0.70 0.00 0.00 55.95 56.07 1wee s SER 5 Cb 0.00 0.02 0.16 0.00 -1.71 0.00 0.00 66.02 64.50 1wee s SER 5 CO 0.00 -0.12 1.22 -0.94 1.20 0.00 0.00 173.24 174.60 1wee s SER 6 N -0.82 -0.18 -1.14 5.45 1.04 -1.26 -5.09 113.70 111.70 1wee s SER 6 Ca -0.07 0.23 -0.16 0.00 0.48 0.00 0.00 55.95 56.44 1wee s SER 6 Cb -0.06 0.19 0.15 0.00 0.10 0.00 0.00 66.02 66.40 1wee s SER 6 CO -0.00 -0.15 1.38 -0.83 0.98 0.00 0.00 173.24 174.62 1wee s GLY 7 N -0.87 2.18 -0.24 7.32 0.00 -1.26 -4.90 107.32 109.56 1wee s GLY 7 Ca 0.05 -3.14 -0.28 0.00 0.00 0.00 0.00 44.72 41.35 1wee s GLY 7 CO -0.05 2.12 1.18 -0.29 0.00 0.00 0.00 173.10 176.06 1wee s MET 8 N 2.20 0.34 0.04 2.90 1.75 -1.26 -5.19 119.30 120.09 1wee s MET 8 Ca 0.41 0.18 -0.03 0.00 -1.25 0.00 0.00 55.69 55.00 1wee s MET 8 Cb -0.03 0.16 -0.02 0.00 2.84 0.00 0.00 34.83 37.79 1wee s MET 8 CO -0.02 -0.09 0.04 -1.83 -0.65 0.00 0.00 175.02 172.47 1wee s GLU 9 N -0.65 0.58 0.83 4.11 1.03 -1.26 -5.17 118.70 118.18 1wee s GLU 9 Ca 0.04 -0.92 -0.06 0.00 0.03 0.00 0.00 54.97 54.05 1wee s GLU 9 Cb -0.02 0.22 0.18 0.00 -0.80 0.00 0.00 34.13 33.70 1wee s GLU 9 CO -0.05 -0.13 1.14 -0.98 -1.33 0.00 0.00 175.26 173.91 1wee s ARG 10 N -3.05 1.11 0.00 -4.83 1.70 -1.26 -4.94 118.95 107.68 1wee s ARG 10 Ca -0.01 -1.00 0.00 0.00 -0.47 0.00 0.00 55.73 54.24 1wee s ARG 10 Cb 0.02 -2.15 0.00 0.00 -0.57 0.00 0.00 34.95 32.24 1wee s ARG 10 CO -0.07 -1.93 0.00 0.41 -1.08 0.00 0.00 175.30 172.63 1wee n GLY 11 N -3.24 -2.37 3.03 3.88 0.00 -1.26 -5.09 105.19 100.15 1wee n GLY 11 Ca 0.17 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 1wee n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wee s VAL 12 N 0.00 1.37 0.00 1.61 0.11 -1.26 -5.04 120.40 117.18 1wee s VAL 12 Ca 0.00 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.48 1wee s VAL 12 Cb 0.00 -1.26 0.00 0.00 -1.53 0.00 0.00 36.38 33.59 1wee s VAL 12 CO 0.00 0.41 0.00 0.47 -3.33 0.00 0.00 175.10 172.65 1wee n ASP 13 N 4.19 0.00 -0.40 3.54 9.92 -1.26 -4.42 116.55 128.13 1wee n ASP 13 Ca -0.19 0.00 0.32 0.00 -0.53 0.00 0.00 54.79 54.39 1wee n ASP 13 Cb 0.51 -0.24 0.53 0.00 -0.64 0.00 0.00 41.12 41.27 1wee n ASP 13 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1wee n ASN 14 N -2.20 0.11 -3.68 -2.24 6.94 -1.26 -3.01 115.26 109.92 1wee n ASN 14 Ca 0.00 0.93 -0.29 0.00 -0.02 0.00 0.00 54.58 55.20 1wee n ASN 14 Cb 0.00 -0.46 -0.15 0.00 -2.36 0.00 0.00 39.78 36.81 1wee n ASN 14 CO 0.00 0.00 0.00 0.86 -1.03 0.00 0.00 177.26 177.09 1wee s TRP 15 N -4.67 1.14 0.06 -2.53 -0.11 -1.26 -5.09 118.94 106.47 1wee s TRP 15 Ca -0.05 -1.29 -0.05 0.00 1.22 0.00 0.00 56.10 55.93 1wee s TRP 15 Cb 0.22 -1.32 -0.05 0.00 -1.50 0.00 0.00 33.47 30.82 1wee s TRP 15 CO 0.61 -0.80 0.30 0.15 -4.62 0.00 0.00 176.95 172.59 1wee s LYS 16 N 1.81 3.58 -0.26 5.86 -0.14 -1.16 -4.76 119.74 124.67 1wee s LYS 16 Ca 0.07 -0.12 -0.00 0.00 -1.36 0.00 0.00 55.97 54.56 1wee s LYS 16 Cb -0.17 -3.00 0.08 0.00 -1.68 0.00 0.00 37.83 33.06 1wee s LYS 16 CO -0.25 0.59 0.03 0.14 -0.76 0.00 0.00 175.35 175.10 1wee s VAL 17 N -1.44 1.14 -0.33 3.17 -7.23 -1.26 0.21 120.40 114.67 1wee s VAL 17 Ca 0.33 -1.25 0.03 0.00 -1.81 0.00 0.00 61.98 59.28 1wee s VAL 17 Cb -0.13 -1.67 0.10 0.00 0.56 0.00 0.00 36.38 35.24 1wee s VAL 17 CO 0.20 -0.38 0.05 -0.62 -0.31 0.00 0.00 175.10 174.04 1wee s ASP 18 N 1.53 4.60 0.14 4.85 -1.08 -1.03 -4.55 116.67 121.12 1wee s ASP 18 Ca 0.03 -2.01 0.08 0.00 -0.52 0.00 0.00 52.55 50.13 1wee s ASP 18 Cb -0.18 -1.48 -0.04 0.00 -1.46 0.00 0.00 42.92 39.77 1wee s ASP 18 CO -0.14 -0.37 -0.19 0.00 0.52 0.00 0.00 175.17 174.99 1wee h LYS 20 N 3.60 0.00 -0.52 0.00 -0.00 -1.99 -1.60 116.57 116.05 1wee h LYS 20 Ca -0.44 0.00 -0.08 0.00 -0.00 0.00 0.00 60.65 60.13 1wee h LYS 20 Cb 1.20 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.41 1wee h LYS 20 CO 0.46 0.00 0.01 0.00 -0.00 0.00 0.00 179.45 179.92 1wee n GLY 22 N -0.41 1.87 3.65 0.00 0.00 -0.60 -5.09 105.19 104.60 1wee n GLY 22 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1wee n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wee s THR 23 N -2.00 4.75 -0.07 2.61 2.01 -1.26 -4.94 115.64 116.75 1wee s THR 23 Ca 0.00 1.75 -0.24 0.00 0.31 0.00 0.00 61.69 63.51 1wee s THR 23 Cb 0.00 -4.21 -0.29 0.00 0.01 0.00 0.00 72.50 68.00 1wee s THR 23 CO 0.00 -0.15 0.87 0.50 -0.69 0.00 0.00 174.62 175.16 1wee h LYS 24 N 7.63 0.22 -4.37 4.92 1.63 -1.97 -3.41 116.57 121.22 1wee h LYS 24 Ca -0.21 -0.37 -0.16 0.00 -0.85 0.00 0.00 60.65 59.06 1wee h LYS 24 Cb 1.08 0.13 -0.15 0.00 -0.60 0.00 0.00 32.23 32.69 1wee h LYS 24 CO 0.93 1.17 -0.66 0.16 -3.45 0.00 0.00 179.45 177.59 1wee s ASP 25 N -6.75 0.40 0.54 4.20 1.47 -1.26 -4.48 116.67 110.79 1wee s ASP 25 Ca -0.15 -1.13 -0.21 0.00 1.18 0.00 0.00 52.55 52.24 1wee s ASP 25 Cb -0.00 0.26 -0.06 0.00 -0.34 0.00 0.00 42.92 42.77 1wee s ASP 25 CO 0.79 -0.68 1.12 -0.90 0.68 0.00 0.00 175.17 176.19 1wee n ASP 26 N -0.02 1.60 0.00 2.11 5.75 -1.26 -4.94 116.55 119.79 1wee n ASP 26 Ca -0.09 0.93 0.00 0.00 -0.01 0.00 0.00 54.79 55.62 1wee n ASP 26 Cb 0.63 -1.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.27 1wee n ASP 26 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1wee n ASP 27 N -0.52 0.04 0.00 -1.12 2.03 -1.26 -5.04 116.55 110.68 1wee n ASP 27 Ca 0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1wee n ASP 27 Cb 0.44 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 1wee n ASP 27 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wee n GLY 28 N 2.23 0.04 3.80 0.27 0.00 -1.26 -5.14 105.19 105.13 1wee n GLY 28 Ca 0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1wee n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wee s GLU 29 N -0.73 2.99 0.17 1.61 2.02 -1.26 -5.04 118.70 118.46 1wee s GLU 29 Ca 0.00 1.17 -0.08 0.00 0.02 0.00 0.00 54.97 56.09 1wee s GLU 29 Cb 0.00 -1.99 -0.06 0.00 0.10 0.00 0.00 34.13 32.18 1wee s GLU 29 CO 0.00 -1.07 0.45 0.50 0.02 0.00 0.00 175.26 175.16 1wee s ARG 30 N -4.43 3.72 0.36 1.61 3.52 -1.26 -5.03 118.95 117.44 1wee s ARG 30 Ca 0.62 0.10 0.05 0.00 -0.13 0.00 0.00 55.73 56.38 1wee s ARG 30 Cb -0.16 -2.79 -0.03 0.00 -1.56 0.00 0.00 34.95 30.41 1wee s ARG 30 CO 0.45 0.42 0.20 -1.64 -0.81 0.00 0.00 175.30 173.92 1wee s MET 31 N -2.62 1.82 -0.01 5.12 -1.94 -1.26 -3.09 119.30 117.31 1wee s MET 31 Ca 0.43 -2.08 0.00 0.00 -1.71 0.00 0.00 55.69 52.32 1wee s MET 31 Cb -0.12 -0.12 0.02 0.00 2.01 0.00 0.00 34.83 36.62 1wee s MET 31 CO 0.22 -0.56 0.02 -0.48 -0.01 0.00 0.00 175.02 174.21 1wee s LEU 32 N -3.48 1.36 0.23 -0.03 2.34 -0.55 -4.81 118.68 113.74 1wee s LEU 32 Ca 0.32 0.02 -0.30 0.00 0.06 0.00 0.00 54.13 54.24 1wee s LEU 32 Cb 0.03 -0.06 -0.09 0.00 -0.56 0.00 0.00 46.19 45.51 1wee s LEU 32 CO 0.21 -0.09 1.29 0.00 -1.06 0.00 0.00 176.35 176.70 1wee s ALA 33 N 0.75 3.51 -0.61 1.48 0.00 -1.25 -1.95 121.76 123.68 1wee s ALA 33 Ca -0.06 1.11 -0.25 0.00 0.00 0.00 0.00 51.96 52.76 1wee s ALA 33 Cb -0.09 -3.47 0.05 0.00 0.00 0.00 0.00 23.12 19.61 1wee s ALA 33 CO -0.02 -0.52 1.03 0.00 0.00 0.00 0.00 175.76 176.26 1wee h ASP 35 N 9.52 0.21 0.00 0.00 3.58 -1.72 1.71 116.42 129.72 1wee h ASP 35 Ca -0.27 0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1wee h ASP 35 Cb 1.07 0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.37 1wee h ASP 35 CO 1.16 -0.25 0.00 0.61 -2.88 0.00 0.00 179.24 177.87 1wee n GLY 36 N -1.33 -3.21 0.13 -0.78 0.00 -1.25 -4.19 105.19 94.55 1wee n GLY 36 Ca 0.30 0.48 -0.22 0.00 0.00 0.00 0.00 46.02 46.58 1wee n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wee n GLY 38 N 1.89 0.57 3.01 0.00 0.00 0.58 -5.00 105.19 106.23 1wee n GLY 38 Ca -0.41 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.65 1wee n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wee s VAL 39 N -0.73 0.45 0.25 1.61 1.01 -1.24 -4.72 120.40 117.04 1wee s VAL 39 Ca 0.00 -0.64 -0.21 0.00 0.00 0.00 0.00 61.98 61.13 1wee s VAL 39 Cb 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 36.38 35.83 1wee s VAL 39 CO 0.00 -0.14 0.76 0.26 0.00 0.00 0.00 175.10 175.98 1wee s TRP 40 N -0.75 3.64 0.01 5.22 0.52 0.13 0.12 118.94 127.83 1wee s TRP 40 Ca -0.04 1.45 -0.08 0.00 0.02 0.00 0.00 56.10 57.45 1wee s TRP 40 Cb -0.06 -2.67 0.00 0.00 -1.15 0.00 0.00 33.47 29.60 1wee s TRP 40 CO 0.00 0.30 0.16 -1.01 0.02 0.00 0.00 176.95 176.42 1wee s HIS 41 N -1.56 0.03 0.06 -1.98 3.76 -0.82 -2.48 115.29 112.30 1wee s HIS 41 Ca 0.45 -0.13 -0.30 0.00 -0.15 0.00 0.00 55.06 54.92 1wee s HIS 41 Cb -0.17 -0.04 -0.09 0.00 1.11 0.00 0.00 32.58 33.39 1wee s HIS 41 CO 0.21 -0.32 1.93 -1.01 -0.85 0.00 0.00 174.74 174.71 1wee s HIS 42 N -1.57 1.51 0.07 1.40 3.76 -1.26 -1.48 115.29 117.72 1wee s HIS 42 Ca -0.13 -0.35 -0.21 0.00 -0.15 0.00 0.00 55.06 54.22 1wee s HIS 42 Cb -0.06 -4.23 -0.11 0.00 1.11 0.00 0.00 32.58 29.28 1wee s HIS 42 CO 0.01 -5.39 1.55 1.79 -0.85 0.00 0.00 174.74 171.85 1wee h THR 43 N 5.38 1.21 -0.50 1.30 1.35 -1.74 -2.72 112.91 117.20 1wee h THR 43 Ca -0.49 -0.66 0.02 0.00 -0.55 0.00 0.00 66.41 64.73 1wee h THR 43 Cb 1.23 1.36 -0.03 0.00 -1.73 0.00 0.00 68.15 68.99 1wee h THR 43 CO 0.94 0.20 0.33 0.08 -0.25 0.00 0.00 175.52 176.82 1wee h ARG 44 N 0.04 0.61 -0.46 4.72 0.11 -1.49 0.90 114.38 118.81 1wee h ARG 44 Ca 0.05 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.07 1wee h ARG 44 Cb 0.28 -0.14 -0.02 0.00 1.11 0.00 0.00 29.97 31.20 1wee h ARG 44 CO 0.00 0.40 0.21 0.00 0.10 0.00 0.00 179.97 180.68 1wee h ILE 46 N 0.61 1.51 0.00 0.00 3.07 -1.10 -3.48 117.51 118.11 1wee h ILE 46 Ca 0.16 -2.58 0.00 0.00 1.55 0.00 0.00 64.86 63.99 1wee h ILE 46 Cb 0.15 2.41 0.00 0.00 -0.27 0.00 0.00 36.82 39.11 1wee h ILE 46 CO -0.02 0.75 0.00 0.61 -1.05 0.00 0.00 178.15 178.44 1wee n GLY 47 N 0.76 2.96 3.65 0.16 0.00 0.25 -5.11 105.19 107.86 1wee n GLY 47 Ca -0.02 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1wee n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wee s ILE 48 N 0.00 3.48 0.01 -0.61 1.09 -0.80 -4.69 121.20 119.67 1wee s ILE 48 Ca 0.00 0.57 -0.17 0.00 -1.10 0.00 0.00 60.65 59.95 1wee s ILE 48 Cb 0.00 -3.40 -0.06 0.00 -1.06 0.00 0.00 42.46 37.94 1wee s ILE 48 CO 0.00 -0.08 0.47 0.20 -0.10 0.00 0.00 174.94 175.42 1wee s ASN 49 N 3.91 6.87 0.37 3.58 0.01 -1.26 -1.34 114.94 127.09 1wee s ASN 49 Ca 0.77 1.04 0.27 0.00 -0.71 0.00 0.00 52.86 54.23 1wee s ASN 49 Cb -0.34 -2.29 1.27 0.00 0.41 0.00 0.00 41.25 40.31 1wee s ASN 49 CO 0.32 0.27 1.34 -0.46 -1.51 0.00 0.00 177.10 177.05 1wee n ASN 50 N 2.03 0.19 -0.23 -1.22 0.23 -1.26 0.65 115.26 115.65 1wee n ASN 50 Ca -0.12 1.20 0.00 0.00 -0.53 0.00 0.00 54.58 55.13 1wee n ASN 50 Cb 0.52 -0.59 0.07 0.00 -2.08 0.00 0.00 39.78 37.70 1wee n ASN 50 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wee h ALA 51 N 1.38 0.44 -1.79 -2.53 0.00 -2.01 -3.41 119.26 111.34 1wee h ALA 51 Ca 0.75 0.26 -0.44 0.00 0.00 0.00 0.00 54.91 55.49 1wee h ALA 51 Cb 2.40 0.51 0.03 0.00 0.00 0.00 0.00 17.79 20.74 1wee h ALA 51 CO -0.41 -0.42 -0.12 0.34 0.00 0.00 0.00 179.25 178.64 1wee s ASP 52 N -5.24 5.51 0.53 0.00 2.15 0.21 -5.09 116.67 114.74 1wee s ASP 52 Ca -0.14 -0.07 -0.15 0.00 0.43 0.00 0.00 52.55 52.62 1wee s ASP 52 Cb 0.20 -0.97 -0.07 0.00 -0.30 0.00 0.00 42.92 41.79 1wee s ASP 52 CO 0.74 -0.93 0.98 0.00 -0.17 0.00 0.00 175.17 175.80 1wee s ALA 53 N -2.59 3.09 0.28 3.66 0.00 -1.26 -4.71 121.76 120.23 1wee s ALA 53 Ca 0.54 0.10 0.07 0.00 0.00 0.00 0.00 51.96 52.67 1wee s ALA 53 Cb -0.10 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 1wee s ALA 53 CO 0.37 -0.33 0.31 -0.48 0.00 0.00 0.00 175.76 175.63 1wee s LEU 54 N -4.31 3.93 0.56 0.00 2.34 -1.26 -4.95 118.68 114.98 1wee s LEU 54 Ca 0.58 -0.21 -0.19 0.00 0.06 0.00 0.00 54.13 54.37 1wee s LEU 54 Cb -0.10 -2.53 -0.05 0.00 -0.56 0.00 0.00 46.19 42.95 1wee s LEU 54 CO 0.36 -0.19 1.13 -2.16 -1.06 0.00 0.00 176.35 174.43 1wee s PRO 55 N -3.97 3.29 0.33 1.48 0.04 -1.26 -4.95 135.00 129.96 1wee s PRO 55 Ca 0.37 1.58 0.04 0.00 0.04 0.00 0.00 61.00 63.04 1wee s PRO 55 Cb -0.08 -2.00 0.58 0.00 0.04 0.00 0.00 34.50 33.04 1wee s PRO 55 CO 0.27 -0.89 1.85 0.77 0.04 0.00 0.00 177.00 179.05 1wee h SER 56 N 1.06 0.48 -3.18 6.66 0.02 -2.00 -3.40 113.55 113.18 1wee h SER 56 Ca -0.50 -0.10 -0.58 0.00 -0.84 0.00 0.00 61.79 59.77 1wee h SER 56 Cb 1.26 -0.13 -0.36 0.00 0.14 0.00 0.00 62.40 63.32 1wee h SER 56 CO 0.57 0.58 -0.83 -0.54 -1.14 0.00 0.00 176.83 175.46 1wee s LYS 57 N -4.89 2.14 -0.03 3.45 1.02 -1.26 -4.88 119.74 115.29 1wee s LYS 57 Ca -0.07 -0.51 0.03 0.00 0.02 0.00 0.00 55.97 55.44 1wee s LYS 57 Cb 0.15 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.52 1wee s LYS 57 CO 0.77 -0.18 -0.11 0.12 -0.92 0.00 0.00 175.35 175.02 1wee s PHE 58 N 1.35 1.17 0.15 3.18 5.36 -1.26 -4.98 117.98 122.94 1wee s PHE 58 Ca 0.01 -0.31 0.07 0.00 -0.96 0.00 0.00 56.93 55.73 1wee s PHE 58 Cb -0.13 -0.82 -0.04 0.00 -0.34 0.00 0.00 43.02 41.69 1wee s PHE 58 CO -0.07 -0.13 -0.01 -0.51 -1.46 0.00 0.00 175.22 173.04 1wee s LEU 59 N 0.19 3.32 0.10 6.12 1.43 -1.26 -1.94 118.68 126.64 1wee s LEU 59 Ca -0.04 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 1wee s LEU 59 Cb -0.10 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 1wee s LEU 59 CO 0.01 0.11 0.06 0.00 0.23 0.00 0.00 176.35 176.76 1wee n PHE 61 N 0.38 0.13 0.02 0.00 -1.74 -1.26 0.64 117.46 115.64 1wee n PHE 61 Ca -0.09 0.89 -0.12 0.00 -0.56 0.00 0.00 57.45 57.57 1wee n PHE 61 Cb 0.52 -0.84 -0.05 0.00 1.52 0.00 0.00 39.48 40.63 1wee n PHE 61 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1wee h ARG 62 N 0.00 -0.45 -0.75 3.97 2.47 -2.02 -1.87 114.38 115.73 1wee h ARG 62 Ca 0.30 0.03 0.17 0.00 -1.26 0.00 0.00 59.98 59.21 1wee h ARG 62 Cb 0.48 0.10 -0.14 0.00 -1.65 0.00 0.00 29.97 28.77 1wee h ARG 62 CO -0.73 -0.30 -0.07 0.00 0.56 0.00 0.00 179.97 179.43 1wee n ILE 64 N -5.40 -0.15 -0.01 0.00 2.08 -0.70 0.18 119.36 115.35 1wee n ILE 64 Ca 0.12 1.28 -0.22 0.00 0.56 0.00 0.00 62.75 64.49 1wee n ILE 64 Cb 0.44 -2.10 -0.13 0.00 -0.75 0.00 0.00 39.64 37.10 1wee n ILE 64 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1wee n GLU 65 N -3.99 0.72 -0.33 0.38 1.02 0.45 -4.21 120.64 114.68 1wee n GLU 65 Ca 0.30 0.33 0.03 0.00 -0.02 0.00 0.00 57.16 57.80 1wee n GLU 65 Cb 1.23 -1.72 0.17 0.00 -0.02 0.00 0.00 31.44 31.10 1wee n GLU 65 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1wee h LEU 66 N -0.15 0.87 -9.00 -4.62 5.85 0.21 -3.43 115.31 105.03 1wee h LEU 66 Ca -0.41 0.03 -0.85 0.00 0.84 0.00 0.00 57.88 57.49 1wee h LEU 66 Cb 1.88 -0.15 0.02 0.00 0.37 0.00 0.00 40.66 42.78 1wee h LEU 66 CO 0.03 0.53 0.52 -1.54 -0.34 0.00 0.00 178.44 177.63 1wee n SER 67 N -4.62 0.89 0.00 1.25 3.41 0.69 -4.84 113.62 110.40 1wee n SER 67 Ca 0.15 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.93 1wee n SER 67 Cb 0.23 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 1wee n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wee n GLY 68 N 3.30 2.59 0.00 5.00 0.00 -1.26 -5.00 105.19 109.83 1wee n GLY 68 Ca 0.28 -0.50 0.07 0.00 0.00 0.00 0.00 46.02 45.87 1wee n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wee n PRO 69 N 0.00 0.07 -1.57 1.61 -0.04 -1.26 -4.78 135.00 129.03 1wee n PRO 69 Ca 0.00 0.22 -0.48 0.00 -0.04 0.00 0.00 63.50 63.20 1wee n PRO 69 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 1wee n PRO 69 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wee n SER 70 N -1.43 2.90 -4.51 3.54 7.64 -1.26 -4.91 113.62 115.59 1wee n SER 70 Ca 0.05 0.53 -0.43 0.00 1.01 0.00 0.00 58.87 60.02 1wee n SER 70 Cb 0.15 -1.39 -0.06 0.00 -1.01 0.00 0.00 64.21 61.91 1wee n SER 70 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wee s SER 71 N 6.59 6.33 0.00 6.43 0.15 -1.26 -5.12 113.70 126.82 1wee s SER 71 Ca 1.02 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1wee s SER 71 Cb -0.65 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.31 1wee s SER 71 CO 0.46 -0.91 0.06 0.61 1.20 0.00 0.00 173.24 174.66