#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 5.11 0.33 1.61 0.15 -1.26 -5.08 113.70 114.56 1wee s SER 2 Ca 0.00 1.51 0.09 0.00 0.70 0.00 0.00 55.95 58.25 1wee s SER 2 Cb 0.00 -2.34 -0.06 0.00 -1.71 0.00 0.00 66.02 61.90 1wee s SER 2 CO 0.00 -1.60 -0.09 -0.94 1.20 0.00 0.00 173.24 171.80 1wee s SER 3 N -3.84 3.55 0.08 5.45 1.04 -1.26 -5.15 113.70 113.57 1wee s SER 3 Ca 0.59 -1.19 0.07 0.00 0.48 0.00 0.00 55.95 55.89 1wee s SER 3 Cb -0.14 -0.31 -0.04 0.00 0.10 0.00 0.00 66.02 65.63 1wee s SER 3 CO 0.55 -0.22 -0.11 -0.83 0.98 0.00 0.00 173.24 173.61 1wee s GLY 4 N -3.58 1.76 -0.08 7.32 0.00 -1.26 -5.02 107.32 106.46 1wee s GLY 4 Ca 0.32 -1.21 0.07 0.00 0.00 0.00 0.00 44.72 43.90 1wee s GLY 4 CO 0.16 -1.16 0.03 -1.14 0.00 0.00 0.00 173.10 170.99 1wee n SER 5 N 0.94 3.03 -3.85 1.64 3.41 -1.26 -5.08 113.62 112.45 1wee n SER 5 Ca -0.14 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.37 1wee n SER 5 Cb 0.52 0.70 -0.05 0.00 -0.26 0.00 0.00 64.21 65.13 1wee n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wee s SER 6 N -3.97 0.02 0.00 4.04 0.01 -1.26 -5.18 113.70 107.36 1wee s SER 6 Ca -0.04 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.23 1wee s SER 6 Cb 0.02 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.87 1wee s SER 6 CO 0.33 -1.20 0.00 0.61 0.41 0.00 0.00 173.24 173.39 1wee n GLY 7 N -0.41 3.70 3.57 3.44 0.00 -1.26 -5.19 105.19 109.04 1wee n GLY 7 Ca -0.02 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.20 1wee n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1wee s MET 8 N -2.32 0.54 -1.30 1.61 -2.45 -1.26 -5.08 119.30 109.05 1wee s MET 8 Ca 0.00 -0.02 -0.18 0.00 -1.25 0.00 0.00 55.69 54.24 1wee s MET 8 Cb 0.00 0.25 0.07 0.00 1.25 0.00 0.00 34.83 36.40 1wee s MET 8 CO 0.00 -0.20 1.74 -1.21 1.05 0.00 0.00 175.02 176.40 1wee s GLU 9 N -1.82 3.99 -0.30 4.11 2.02 -1.26 -4.81 118.70 120.63 1wee s GLU 9 Ca 0.03 -1.99 -0.16 0.00 0.02 0.00 0.00 54.97 52.86 1wee s GLU 9 Cb -0.01 -5.54 0.18 0.00 0.10 0.00 0.00 34.13 28.87 1wee s GLU 9 CO -0.03 -2.26 1.15 0.50 0.02 0.00 0.00 175.26 174.64 1wee s ARG 10 N 4.23 0.17 0.00 1.61 3.52 -1.26 -5.10 118.95 122.12 1wee s ARG 10 Ca 0.54 0.32 0.00 0.00 -0.13 0.00 0.00 55.73 56.46 1wee s ARG 10 Cb 0.04 0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.51 1wee s ARG 10 CO 0.08 -0.04 0.00 0.41 -0.81 0.00 0.00 175.30 174.94 1wee n GLY 11 N 3.71 0.98 3.77 8.12 0.00 -1.26 -5.10 105.19 115.40 1wee n GLY 11 Ca -0.15 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 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 3.27 0.73 1.61 0.11 -1.26 -5.03 120.40 119.83 1wee s VAL 12 Ca 0.00 1.10 -0.12 0.00 -2.93 0.00 0.00 61.98 60.03 1wee s VAL 12 Cb 0.00 -3.63 0.19 0.00 -1.53 0.00 0.00 36.38 31.41 1wee s VAL 12 CO 0.00 0.13 0.43 -0.67 -3.33 0.00 0.00 175.10 171.65 1wee n ASP 13 N 0.29 -3.07 0.00 3.54 -0.08 -1.26 -4.86 116.55 111.11 1wee n ASP 13 Ca 0.03 -0.43 0.00 0.00 -1.51 0.00 0.00 54.79 52.88 1wee n ASP 13 Cb 0.46 -0.49 0.00 0.00 2.34 0.00 0.00 41.12 43.43 1wee n ASP 13 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1wee n ASN 14 N -4.32 0.00 -3.53 1.67 2.85 -1.26 -4.32 115.26 106.34 1wee n ASN 14 Ca 0.07 0.53 -0.50 0.00 -0.11 0.00 0.00 54.58 54.57 1wee n ASN 14 Cb 0.30 -0.18 -0.09 0.00 1.24 0.00 0.00 39.78 41.05 1wee n ASN 14 CO 0.00 0.00 0.00 -2.67 -2.11 0.00 0.00 177.26 172.48 1wee n TRP 15 N -1.79 1.10 -2.63 1.20 4.27 -1.26 -4.80 117.44 113.53 1wee n TRP 15 Ca 0.00 0.72 -0.43 0.00 -3.89 0.00 0.00 57.50 53.91 1wee n TRP 15 Cb 0.00 -1.81 -0.03 0.00 -1.36 0.00 0.00 31.31 28.11 1wee n TRP 15 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 1wee s LYS 16 N 3.94 3.55 -0.53 -2.67 2.20 -1.26 -4.96 119.74 120.00 1wee s LYS 16 Ca 0.92 0.27 -0.04 0.00 -0.36 0.00 0.00 55.97 56.75 1wee s LYS 16 Cb -1.20 -3.98 0.14 0.00 -1.51 0.00 0.00 37.83 31.28 1wee s LYS 16 CO 0.57 -1.55 0.36 0.08 -0.36 0.00 0.00 175.35 174.45 1wee s VAL 17 N 4.63 3.72 0.03 4.02 1.01 -1.26 -0.30 120.40 132.25 1wee s VAL 17 Ca 0.42 -2.44 0.03 0.00 0.00 0.00 0.00 61.98 59.99 1wee s VAL 17 Cb -0.08 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 1wee s VAL 17 CO 0.27 -0.80 -0.09 -1.81 0.00 0.00 0.00 175.10 172.67 1wee s ASP 18 N 1.46 0.99 0.08 3.32 1.01 -1.21 -3.69 116.67 118.63 1wee s ASP 18 Ca 0.12 -0.41 -0.23 0.00 0.71 0.00 0.00 52.55 52.73 1wee s ASP 18 Cb -0.22 -0.02 0.06 0.00 1.01 0.00 0.00 42.92 43.75 1wee s ASP 18 CO -0.04 -0.08 0.56 0.00 0.21 0.00 0.00 175.17 175.83 1wee h LYS 20 N 2.50 0.35 -0.06 0.00 2.10 -2.00 -0.26 116.57 119.20 1wee h LYS 20 Ca -0.32 -0.02 0.03 0.00 -2.00 0.00 0.00 60.65 58.35 1wee h LYS 20 Cb 1.24 -0.08 -0.04 0.00 -0.90 0.00 0.00 32.23 32.45 1wee h LYS 20 CO 0.40 0.23 -0.17 0.00 -2.00 0.00 0.00 179.45 177.92 1wee n GLY 22 N -1.30 1.50 3.80 0.00 0.00 -0.11 -5.13 105.19 103.94 1wee n GLY 22 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.50 4.87 -0.16 2.61 2.01 -1.26 -4.96 115.64 117.25 1wee s THR 23 Ca 0.00 1.13 0.03 0.00 0.31 0.00 0.00 61.69 63.16 1wee s THR 23 Cb 0.00 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 1wee s THR 23 CO 0.00 0.51 0.15 2.29 -0.69 0.00 0.00 174.62 176.89 1wee n LYS 24 N 2.10 5.69 -3.95 4.92 -0.00 -1.24 -3.86 118.16 121.83 1wee n LYS 24 Ca -0.10 -0.03 -0.08 0.00 -0.00 0.00 0.00 58.31 58.10 1wee n LYS 24 Cb 0.51 -0.67 -0.08 0.00 -0.00 0.00 0.00 35.03 34.79 1wee n LYS 24 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1wee s ASP 25 N -1.25 0.25 -0.51 -5.58 -4.77 -1.26 -4.51 116.67 99.04 1wee s ASP 25 Ca 0.01 -0.80 -0.27 0.00 -3.30 0.00 0.00 52.55 48.19 1wee s ASP 25 Cb 0.02 0.29 -0.09 0.00 -1.09 0.00 0.00 42.92 42.06 1wee s ASP 25 CO 0.12 -0.69 2.42 -0.67 0.70 0.00 0.00 175.17 177.05 1wee n ASP 26 N -0.01 2.18 0.01 2.11 2.03 -1.26 -4.82 116.55 116.79 1wee n ASP 26 Ca -0.14 -0.30 -0.12 0.00 0.52 0.00 0.00 54.79 54.76 1wee n ASP 26 Cb 0.62 -1.49 -0.09 0.00 -0.72 0.00 0.00 41.12 39.44 1wee n ASP 26 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1wee h ASP 27 N 17.81 -0.09 0.00 1.67 1.82 -2.00 -3.48 116.42 132.15 1wee h ASP 27 Ca -0.24 -0.52 0.00 0.00 -0.39 0.00 0.00 57.03 55.88 1wee h ASP 27 Cb 1.27 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.31 1wee h ASP 27 CO 1.16 0.54 0.00 0.61 -1.61 0.00 0.00 179.24 179.94 1wee n GLY 28 N 0.75 0.08 3.73 -0.78 0.00 -1.26 -5.14 105.19 102.58 1wee n GLY 28 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 4.52 0.48 1.61 0.41 -1.26 -5.00 118.70 119.45 1wee s GLU 29 Ca 0.00 1.14 -0.20 0.00 -0.41 0.00 0.00 54.97 55.50 1wee s GLU 29 Cb 0.00 -3.41 -0.12 0.00 -1.78 0.00 0.00 34.13 28.81 1wee s GLU 29 CO 0.00 0.13 0.35 -2.13 -0.49 0.00 0.00 175.26 173.12 1wee n ARG 30 N 3.35 0.37 -4.22 1.61 3.00 -1.26 -4.85 116.66 114.66 1wee n ARG 30 Ca 0.00 0.14 -0.13 0.00 -0.00 0.00 0.00 57.85 57.86 1wee n ARG 30 Cb 0.51 -1.40 -0.10 0.00 0.00 0.00 0.00 32.46 31.47 1wee n ARG 30 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1wee s MET 31 N -1.53 1.24 -0.10 -0.14 -1.94 -1.26 -2.58 119.30 112.99 1wee s MET 31 Ca 0.63 -1.66 -0.09 0.00 -1.71 0.00 0.00 55.69 52.86 1wee s MET 31 Cb -0.54 0.21 0.03 0.00 2.01 0.00 0.00 34.83 36.54 1wee s MET 31 CO 0.59 -0.39 0.27 -0.48 -0.01 0.00 0.00 175.02 175.01 1wee s LEU 32 N -3.18 0.92 0.18 -0.03 2.34 -0.70 -4.86 118.68 113.34 1wee s LEU 32 Ca 0.39 0.56 -0.27 0.00 0.06 0.00 0.00 54.13 54.86 1wee s LEU 32 Cb 0.07 0.94 -0.08 0.00 -0.56 0.00 0.00 46.19 46.56 1wee s LEU 32 CO 0.13 -0.10 0.84 0.00 -1.06 0.00 0.00 176.35 176.16 1wee s ALA 33 N 0.21 3.40 -0.62 1.48 0.00 -1.26 -1.03 121.76 123.93 1wee s ALA 33 Ca -0.01 0.46 -0.27 0.00 0.00 0.00 0.00 51.96 52.14 1wee s ALA 33 Cb -0.02 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 20.04 1wee s ALA 33 CO -0.00 0.23 1.55 0.00 0.00 0.00 0.00 175.76 177.54 1wee n ASP 35 N 10.66 0.19 0.00 0.00 -0.08 -0.98 0.65 116.55 126.99 1wee n ASP 35 Ca 0.13 1.24 0.00 0.00 -1.51 0.00 0.00 54.79 54.65 1wee n ASP 35 Cb 0.50 -0.61 0.00 0.00 2.34 0.00 0.00 41.12 43.35 1wee n ASP 35 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wee n GLY 36 N -1.47 -2.53 0.10 0.27 0.00 -1.26 -4.56 105.19 95.75 1wee n GLY 36 Ca 0.36 0.03 -0.16 0.00 0.00 0.00 0.00 46.02 46.25 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 1.45 0.84 3.45 0.00 0.00 0.21 -4.95 105.19 106.19 1wee n GLY 38 Ca -0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.03 3.63 0.06 1.61 1.01 -1.26 -4.30 120.40 120.12 1wee s VAL 39 Ca 0.00 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 1wee s VAL 39 Cb 0.00 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 1wee s VAL 39 CO 0.00 0.50 1.15 0.26 0.00 0.00 0.00 175.10 177.00 1wee s TRP 40 N 0.41 3.50 0.21 5.22 0.52 0.59 -1.29 118.94 128.11 1wee s TRP 40 Ca -0.06 1.41 0.05 0.00 0.02 0.00 0.00 56.10 57.52 1wee s TRP 40 Cb -0.15 -3.35 -0.05 0.00 -1.15 0.00 0.00 33.47 28.78 1wee s TRP 40 CO 0.04 -0.96 -0.07 -1.01 0.02 0.00 0.00 176.95 174.96 1wee s HIS 41 N 0.96 1.61 -0.38 -1.98 3.76 -0.20 -3.28 115.29 115.79 1wee s HIS 41 Ca 0.57 -0.74 -0.29 0.00 -0.15 0.00 0.00 55.06 54.44 1wee s HIS 41 Cb -0.28 -0.86 0.00 0.00 1.11 0.00 0.00 32.58 32.56 1wee s HIS 41 CO 0.29 0.16 1.46 -1.01 -0.85 0.00 0.00 174.74 174.79 1wee s HIS 42 N -3.19 2.34 0.63 1.40 3.76 -1.26 -1.72 115.29 117.25 1wee s HIS 42 Ca 0.24 0.68 0.28 0.00 -0.15 0.00 0.00 55.06 56.11 1wee s HIS 42 Cb 0.03 -4.23 1.49 0.00 1.11 0.00 0.00 32.58 30.98 1wee s HIS 42 CO 0.07 -2.13 1.87 1.79 -0.85 0.00 0.00 174.74 175.48 1wee h THR 43 N 6.43 0.15 0.00 1.30 1.35 -1.80 -0.80 112.91 119.55 1wee h THR 43 Ca -0.28 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.53 1wee h THR 43 Cb 1.11 0.61 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 1wee h THR 43 CO 1.07 0.00 -0.23 -0.09 -0.25 0.00 0.00 175.52 176.01 1wee h ARG 44 N 0.00 0.00 -0.35 4.72 2.43 -1.79 0.32 114.38 119.71 1wee h ARG 44 Ca 0.09 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.32 1wee h ARG 44 Cb 0.95 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.44 1wee h ARG 44 CO -0.00 0.96 -0.02 0.00 -1.51 0.00 0.00 179.97 179.40 1wee h ILE 46 N 0.08 0.80 0.00 0.00 3.07 -1.51 -3.46 117.51 116.49 1wee h ILE 46 Ca 0.17 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.58 1wee h ILE 46 Cb 0.24 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 37.73 1wee h ILE 46 CO -0.30 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.41 1wee n GLY 47 N -1.49 0.66 3.39 0.16 0.00 -0.03 -5.12 105.19 102.77 1wee n GLY 47 Ca -0.01 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.67 0.00 0.11 -0.61 1.01 0.11 -5.00 121.20 116.16 1wee s ILE 48 Ca 0.00 -0.03 0.09 0.00 0.00 0.00 0.00 60.65 60.71 1wee s ILE 48 Cb 0.00 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 1wee s ILE 48 CO 0.00 -0.02 -0.22 0.54 0.00 0.00 0.00 174.94 175.25 1wee s ASN 49 N 0.10 2.68 0.33 3.58 6.03 -1.26 -3.11 114.94 123.28 1wee s ASN 49 Ca -0.01 -0.71 0.09 0.00 -1.03 0.00 0.00 52.86 51.19 1wee s ASN 49 Cb -0.03 -0.15 0.96 0.00 -3.03 0.00 0.00 41.25 38.99 1wee s ASN 49 CO 0.01 0.07 1.59 -0.55 -2.03 0.00 0.00 177.10 176.19 1wee h ASN 50 N 3.98 -0.11 -0.71 3.54 7.08 -1.97 -0.84 115.58 126.55 1wee h ASN 50 Ca -0.47 0.26 0.06 0.00 -3.08 0.00 0.00 56.30 53.08 1wee h ASN 50 Cb 1.18 0.37 -0.09 0.00 -2.08 0.00 0.00 38.32 37.71 1wee h ASN 50 CO 0.40 -0.35 -0.42 0.00 -2.08 0.00 0.00 177.43 174.99 1wee n ALA 51 N -2.76 -0.45 -2.03 4.14 0.00 -1.26 -4.38 120.51 113.77 1wee n ALA 51 Ca 0.28 0.61 -0.28 0.00 0.00 0.00 0.00 53.44 54.05 1wee n ALA 51 Cb 0.93 -0.10 0.03 0.00 0.00 0.00 0.00 19.45 20.31 1wee n ALA 51 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1wee s ASP 52 N -5.35 5.65 0.88 0.00 2.15 -0.32 -5.08 116.67 114.59 1wee s ASP 52 Ca -0.09 0.91 -0.14 0.00 0.43 0.00 0.00 52.55 53.66 1wee s ASP 52 Cb 0.08 -1.87 0.14 0.00 -0.30 0.00 0.00 42.92 40.96 1wee s ASP 52 CO 0.44 -1.09 1.24 0.00 -0.17 0.00 0.00 175.17 175.60 1wee s ALA 53 N -3.09 2.48 0.08 3.66 0.00 -1.26 -4.79 121.76 118.83 1wee s ALA 53 Ca 0.55 -0.93 -0.12 0.00 0.00 0.00 0.00 51.96 51.46 1wee s ALA 53 Cb -0.11 -2.85 -0.06 0.00 0.00 0.00 0.00 23.12 20.10 1wee s ALA 53 CO 0.48 -2.03 0.43 -0.51 0.00 0.00 0.00 175.76 174.13 1wee s LEU 54 N -5.72 4.37 0.16 0.00 1.43 -1.26 -4.98 118.68 112.68 1wee s LEU 54 Ca 0.68 0.88 -0.31 0.00 -1.03 0.00 0.00 54.13 54.35 1wee s LEU 54 Cb -0.08 -2.98 -0.08 0.00 0.03 0.00 0.00 46.19 43.09 1wee s LEU 54 CO 0.51 0.18 1.33 -2.16 0.23 0.00 0.00 176.35 176.44 1wee s PRO 55 N -1.79 4.36 0.33 1.29 0.04 -1.26 -4.90 135.00 133.07 1wee s PRO 55 Ca 0.32 2.04 0.10 0.00 0.04 0.00 0.00 61.00 63.51 1wee s PRO 55 Cb -0.15 -3.22 0.98 0.00 0.04 0.00 0.00 34.50 32.15 1wee s PRO 55 CO 0.18 -0.33 1.62 0.77 0.04 0.00 0.00 177.00 179.28 1wee h SER 56 N 6.02 0.11 -3.74 6.66 0.02 -2.04 -3.39 113.55 117.20 1wee h SER 56 Ca -0.43 0.23 -0.23 0.00 -0.84 0.00 0.00 61.79 60.52 1wee h SER 56 Cb 1.21 0.28 -0.28 0.00 0.14 0.00 0.00 62.40 63.75 1wee h SER 56 CO 0.81 -0.27 -0.71 -0.54 -1.14 0.00 0.00 176.83 174.98 1wee s LYS 57 N -5.77 0.01 -0.11 3.45 1.02 -1.26 -5.01 119.74 112.07 1wee s LYS 57 Ca -0.11 0.01 -0.01 0.00 0.02 0.00 0.00 55.97 55.87 1wee s LYS 57 Cb 0.30 0.00 0.03 0.00 -0.52 0.00 0.00 37.83 37.64 1wee s LYS 57 CO 0.78 -0.00 -0.02 0.12 -0.92 0.00 0.00 175.35 175.31 1wee s PHE 58 N -0.00 1.02 -0.03 3.18 5.36 -1.26 -5.00 117.98 121.25 1wee s PHE 58 Ca -0.00 -0.50 -0.01 0.00 -0.96 0.00 0.00 56.93 55.46 1wee s PHE 58 Cb -0.00 -0.99 -0.04 0.00 -0.34 0.00 0.00 43.02 41.65 1wee s PHE 58 CO 0.00 -0.44 0.07 -0.51 -1.46 0.00 0.00 175.22 172.87 1wee s LEU 59 N 1.86 3.86 0.69 6.12 1.43 -1.26 -2.32 118.68 129.06 1wee s LEU 59 Ca 0.04 0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1wee s LEU 59 Cb -0.13 -2.15 0.10 0.00 0.03 0.00 0.00 46.19 44.04 1wee s LEU 59 CO -0.07 0.31 0.96 0.00 0.23 0.00 0.00 176.35 177.78 1wee h PHE 61 N -0.43 0.76 -0.20 0.00 -5.15 -2.01 -2.43 116.94 107.49 1wee h PHE 61 Ca -0.38 -0.09 -0.06 0.00 -0.20 0.00 0.00 57.97 57.23 1wee h PHE 61 Cb 1.28 -0.21 -0.01 0.00 0.22 0.00 0.00 35.95 37.22 1wee h PHE 61 CO -0.06 0.71 -0.13 0.00 -2.00 0.00 0.00 178.31 176.83 1wee h ARG 62 N 0.69 0.32 -0.23 6.09 3.08 -2.02 -2.89 114.38 119.42 1wee h ARG 62 Ca 0.14 -0.08 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 1wee h ARG 62 Cb 0.40 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1wee h ARG 62 CO 0.01 0.46 -0.24 0.00 -1.07 0.00 0.00 179.97 179.13 1wee n ILE 64 N -4.37 -0.29 -0.06 0.00 5.41 -1.03 0.14 119.36 119.15 1wee n ILE 64 Ca -0.05 1.49 -0.10 0.00 1.00 0.00 0.00 62.75 65.09 1wee n ILE 64 Cb 0.44 -2.27 -0.15 0.00 -0.71 0.00 0.00 39.64 36.94 1wee n ILE 64 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1wee n GLU 65 N -4.80 0.66 -0.20 0.38 2.13 -1.21 -4.30 120.64 113.30 1wee n GLU 65 Ca 0.21 0.16 -0.03 0.00 0.66 0.00 0.00 57.16 58.16 1wee n GLU 65 Cb 0.68 -1.67 0.08 0.00 0.27 0.00 0.00 31.44 30.80 1wee n GLU 65 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1wee h LEU 66 N 0.00 0.47 -9.16 4.31 6.46 0.20 -3.40 115.31 114.19 1wee h LEU 66 Ca -0.41 0.03 -0.56 0.00 -0.12 0.00 0.00 57.88 56.82 1wee h LEU 66 Cb 2.11 -0.06 0.01 0.00 -0.73 0.00 0.00 40.66 41.99 1wee h LEU 66 CO 0.05 0.31 1.37 -0.44 -0.62 0.00 0.00 178.44 179.11 1wee s SER 67 N -5.55 5.94 0.00 1.25 0.01 0.70 -4.88 113.70 111.16 1wee s SER 67 Ca -0.13 2.26 0.00 0.00 1.31 0.00 0.00 55.95 59.39 1wee s SER 67 Cb 0.15 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1wee s SER 67 CO 0.75 -1.52 0.00 0.61 0.41 0.00 0.00 173.24 173.48 1wee n GLY 68 N 5.17 0.60 0.00 3.44 0.00 -1.26 -4.99 105.19 108.15 1wee n GLY 68 Ca 0.25 -0.80 0.07 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.11 0.18 -1.49 1.61 -0.04 -1.26 -4.79 135.00 129.10 1wee n PRO 69 Ca 0.00 0.16 -0.42 0.00 -0.04 0.00 0.00 63.50 63.21 1wee n PRO 69 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 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 -1.32 0.79 0.09 3.54 7.64 -1.26 -4.79 113.62 118.31 1wee n SER 70 Ca 0.06 0.08 -0.13 0.00 1.01 0.00 0.00 58.87 59.89 1wee n SER 70 Cb 0.13 -1.06 -0.08 0.00 -1.01 0.00 0.00 64.21 62.18 1wee n SER 70 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1wee h SER 71 N 13.35 -0.18 0.00 6.43 4.64 -2.02 -3.53 113.55 132.24 1wee h SER 71 Ca -0.10 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1wee h SER 71 Cb 1.31 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1wee h SER 71 CO 1.31 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 177.99