#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 6.19 -0.23 1.61 0.15 -1.26 -4.98 113.70 115.19 1wee s SER 2 Ca 0.00 -1.12 -0.21 0.00 0.70 0.00 0.00 55.95 55.32 1wee s SER 2 Cb 0.00 -2.39 0.06 0.00 -1.71 0.00 0.00 66.02 61.98 1wee s SER 2 CO 0.00 -1.36 0.61 -0.55 1.20 0.00 0.00 173.24 173.14 1wee s SER 3 N 3.67 -0.64 -0.03 5.45 0.15 -1.26 -5.16 113.70 115.88 1wee s SER 3 Ca 0.20 1.23 -0.01 0.00 0.70 0.00 0.00 55.95 58.07 1wee s SER 3 Cb -0.18 1.24 0.03 0.00 -1.71 0.00 0.00 66.02 65.40 1wee s SER 3 CO 0.09 -0.21 0.04 -0.83 1.20 0.00 0.00 173.24 173.52 1wee s GLY 4 N 0.34 0.19 -0.57 9.45 0.00 -1.26 -5.11 107.32 110.37 1wee s GLY 4 Ca -0.00 0.21 -0.19 0.00 0.00 0.00 0.00 44.72 44.74 1wee s GLY 4 CO 0.01 1.01 0.67 -1.35 0.00 0.00 0.00 173.10 173.44 1wee s SER 5 N 1.59 6.19 0.09 1.64 1.04 -1.26 -5.00 113.70 118.00 1wee s SER 5 Ca -0.02 -1.36 -0.25 0.00 0.48 0.00 0.00 55.95 54.80 1wee s SER 5 Cb -0.13 -2.29 0.07 0.00 0.10 0.00 0.00 66.02 63.77 1wee s SER 5 CO -0.03 -1.05 0.64 -0.55 0.98 0.00 0.00 173.24 173.23 1wee s SER 6 N 3.44 -0.58 0.00 7.02 0.15 -1.26 -5.13 113.70 117.34 1wee s SER 6 Ca 0.11 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.95 1wee s SER 6 Cb -0.24 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1wee s SER 6 CO 0.07 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.27 1wee n GLY 7 N -0.04 1.26 2.86 9.45 0.00 -1.26 -4.95 105.19 112.51 1wee n GLY 7 Ca -0.17 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 1wee n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1wee n MET 8 N 2.25 3.66 -3.71 1.61 0.00 -1.26 -4.90 117.12 114.78 1wee n MET 8 Ca 0.00 -3.56 -0.16 0.00 -0.00 0.00 0.00 57.70 53.98 1wee n MET 8 Cb 0.00 -2.91 -0.16 0.00 0.00 0.00 0.00 33.22 30.15 1wee n MET 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1wee s GLU 9 N 0.25 0.02 -0.06 2.12 0.41 -1.26 -5.06 118.70 115.12 1wee s GLU 9 Ca 0.39 0.42 -0.08 0.00 -0.41 0.00 0.00 54.97 55.29 1wee s GLU 9 Cb 0.10 -0.28 -0.04 0.00 -1.78 0.00 0.00 34.13 32.12 1wee s GLU 9 CO 0.01 -0.25 0.33 0.00 -0.49 0.00 0.00 175.26 174.86 1wee h ARG 10 N 7.88 -0.27 0.00 1.61 2.47 -1.97 -3.50 114.38 120.60 1wee h ARG 10 Ca -0.27 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 1wee h ARG 10 Cb 1.12 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 1wee h ARG 10 CO 0.28 -0.18 0.00 0.41 0.56 0.00 0.00 179.97 181.04 1wee n GLY 11 N 1.05 1.57 3.29 0.04 0.00 -1.26 -5.13 105.19 104.75 1wee n GLY 11 Ca -0.04 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 1wee n GLY 11 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wee s VAL 12 N -2.00 -0.00 0.09 1.61 1.01 -1.26 -4.44 120.40 115.41 1wee s VAL 12 Ca 0.00 0.01 -0.35 0.00 0.00 0.00 0.00 61.98 61.64 1wee s VAL 12 Cb 0.00 -0.56 -0.16 0.00 0.00 0.00 0.00 36.38 35.66 1wee s VAL 12 CO 0.00 0.01 1.57 -0.78 0.00 0.00 0.00 175.10 175.89 1wee h ASP 13 N 5.75 -1.41 0.00 3.32 3.58 -1.95 -3.45 116.42 122.27 1wee h ASP 13 Ca -0.28 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.29 1wee h ASP 13 Cb 1.18 0.48 0.00 0.00 1.72 0.00 0.00 39.33 42.71 1wee h ASP 13 CO 0.26 -0.63 0.00 -3.20 -2.88 0.00 0.00 179.24 172.79 1wee n ASN 14 N -5.54 0.02 0.00 2.28 5.15 -1.26 -5.08 115.26 110.84 1wee n ASN 14 Ca -0.11 0.04 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 1wee n ASN 14 Cb 0.44 0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.71 1wee n ASN 14 CO 0.00 0.00 0.00 1.87 1.40 0.00 0.00 177.26 180.53 1wee n TRP 15 N -2.60 0.00 -3.70 1.20 -0.00 -1.26 -5.08 117.44 106.00 1wee n TRP 15 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.35 1wee n TRP 15 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 31.31 31.16 1wee n TRP 15 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1wee s LYS 16 N -0.37 0.07 -0.39 5.87 -0.14 -1.26 -4.92 119.74 118.60 1wee s LYS 16 Ca 0.00 0.49 0.07 0.00 -1.36 0.00 0.00 55.97 55.17 1wee s LYS 16 Cb 0.00 -0.21 0.44 0.00 -1.68 0.00 0.00 37.83 36.37 1wee s LYS 16 CO 0.00 -0.24 1.11 1.33 -0.76 0.00 0.00 175.35 176.79 1wee n VAL 17 N 4.79 2.21 -2.82 3.17 0.24 -1.26 0.11 118.33 124.78 1wee n VAL 17 Ca -0.15 -4.51 -0.43 0.00 -2.04 0.00 0.00 64.34 57.20 1wee n VAL 17 Cb 0.51 -0.94 -0.01 0.00 -1.47 0.00 0.00 33.84 31.93 1wee n VAL 17 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1wee s ASP 18 N -3.51 6.84 0.86 -1.34 -1.08 -1.26 -4.41 116.67 112.77 1wee s ASP 18 Ca 0.45 -2.45 -0.12 0.00 -0.52 0.00 0.00 52.55 49.91 1wee s ASP 18 Cb 0.41 -2.46 0.11 0.00 -1.46 0.00 0.00 42.92 39.52 1wee s ASP 18 CO -0.11 -1.01 1.14 0.00 0.52 0.00 0.00 175.17 175.71 1wee h LYS 20 N -1.30 0.20 -0.93 0.00 2.10 -1.95 -3.37 116.57 111.32 1wee h LYS 20 Ca -0.49 -0.34 0.27 0.00 -2.00 0.00 0.00 60.65 58.10 1wee h LYS 20 Cb 1.32 0.13 -0.16 0.00 -0.90 0.00 0.00 32.23 32.62 1wee h LYS 20 CO 0.63 1.00 0.25 0.00 -2.00 0.00 0.00 179.45 179.32 1wee n GLY 22 N -1.39 0.09 3.60 0.00 0.00 -1.26 -5.16 105.19 101.08 1wee n GLY 22 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.13 3.86 -0.21 2.61 2.01 -1.26 -5.01 115.64 117.51 1wee s THR 23 Ca 0.00 -0.41 0.09 0.00 0.31 0.00 0.00 61.69 61.67 1wee s THR 23 Cb 0.00 -2.60 -0.19 0.00 0.01 0.00 0.00 72.50 69.72 1wee s THR 23 CO 0.00 0.59 -0.08 2.29 -0.69 0.00 0.00 174.62 176.73 1wee n LYS 24 N 2.33 0.78 -3.61 4.92 2.85 -1.26 -3.30 118.16 120.87 1wee n LYS 24 Ca -0.18 0.07 -0.15 0.00 -1.05 0.00 0.00 58.31 57.00 1wee n LYS 24 Cb 0.53 -1.47 -0.05 0.00 -0.65 0.00 0.00 35.03 33.39 1wee n LYS 24 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1wee n ASP 25 N -2.95 -0.16 -4.71 -5.58 5.75 -1.26 -4.58 116.55 103.05 1wee n ASP 25 Ca -0.36 -2.56 -0.39 0.00 -0.01 0.00 0.00 54.79 51.47 1wee n ASP 25 Cb 1.01 1.10 0.04 0.00 -1.03 0.00 0.00 41.12 42.24 1wee n ASP 25 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1wee n ASP 26 N -1.99 2.34 -2.07 -1.12 2.03 -1.26 -4.95 116.55 109.53 1wee n ASP 26 Ca 0.04 0.97 -0.07 0.00 0.52 0.00 0.00 54.79 56.25 1wee n ASP 26 Cb 0.43 -1.53 0.06 0.00 -0.72 0.00 0.00 41.12 39.35 1wee n ASP 26 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1wee n ASP 27 N -0.77 2.67 -2.88 1.67 2.03 -1.26 -4.96 116.55 113.05 1wee n ASP 27 Ca 0.10 -2.86 -0.20 0.00 0.52 0.00 0.00 54.79 52.36 1wee n ASP 27 Cb 0.44 -0.41 0.05 0.00 -0.72 0.00 0.00 41.12 40.48 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 -0.55 -0.33 3.44 0.27 0.00 -1.26 -5.01 105.19 101.75 1wee n GLY 28 Ca 0.21 0.06 -0.23 0.00 0.00 0.00 0.00 46.02 46.06 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 -5.84 1.80 0.30 1.61 0.41 -1.26 -5.16 118.70 110.55 1wee s GLU 29 Ca 0.39 -2.07 -0.08 0.00 -0.41 0.00 0.00 54.97 52.81 1wee s GLU 29 Cb -0.17 -0.41 -0.06 0.00 -1.78 0.00 0.00 34.13 31.71 1wee s GLU 29 CO 0.48 -0.46 0.60 0.50 -0.49 0.00 0.00 175.26 175.89 1wee s ARG 30 N -3.73 3.72 0.29 1.61 3.52 -1.26 -5.08 118.95 118.01 1wee s ARG 30 Ca 0.30 0.20 -0.12 0.00 -0.13 0.00 0.00 55.73 55.97 1wee s ARG 30 Cb 0.04 -2.59 0.01 0.00 -1.56 0.00 0.00 34.95 30.85 1wee s ARG 30 CO 0.17 0.19 0.55 -1.64 -0.81 0.00 0.00 175.30 173.76 1wee s MET 31 N -3.39 1.75 -0.18 5.12 -1.94 -1.26 -3.15 119.30 116.25 1wee s MET 31 Ca 0.47 -1.35 -0.13 0.00 -1.71 0.00 0.00 55.69 52.97 1wee s MET 31 Cb -0.11 0.50 0.05 0.00 2.01 0.00 0.00 34.83 37.29 1wee s MET 31 CO 0.27 -0.75 0.45 -0.48 -0.01 0.00 0.00 175.02 174.50 1wee s LEU 32 N -3.06 0.05 0.07 -0.03 2.34 -0.20 -4.82 118.68 113.04 1wee s LEU 32 Ca 0.22 0.94 -0.31 0.00 0.06 0.00 0.00 54.13 55.04 1wee s LEU 32 Cb -0.02 1.52 -0.06 0.00 -0.56 0.00 0.00 46.19 47.07 1wee s LEU 32 CO 0.11 -0.18 1.23 0.00 -1.06 0.00 0.00 176.35 176.46 1wee s ALA 33 N 0.79 3.43 -0.42 1.48 0.00 -1.25 -1.00 121.76 124.78 1wee s ALA 33 Ca -0.04 0.90 -0.28 0.00 0.00 0.00 0.00 51.96 52.53 1wee s ALA 33 Cb -0.05 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 1wee s ALA 33 CO -0.06 -0.46 1.79 0.00 0.00 0.00 0.00 175.76 177.03 1wee n ASP 35 N 10.96 0.15 0.00 0.00 2.03 -1.04 0.38 116.55 129.03 1wee n ASP 35 Ca 0.22 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.60 1wee n ASP 35 Cb 0.49 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.36 1wee n ASP 35 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wee n GLY 36 N -1.45 -1.43 0.07 0.27 0.00 -1.26 -4.55 105.19 96.84 1wee n GLY 36 Ca 0.33 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 0.17 0.68 2.95 0.00 0.00 0.16 -4.97 105.19 104.19 1wee n GLY 38 Ca -0.08 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.15 0.78 -0.20 1.61 1.01 -1.26 -4.65 120.40 116.53 1wee s VAL 39 Ca 0.00 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 1wee s VAL 39 Cb 0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 1wee s VAL 39 CO 0.00 0.28 1.68 0.26 0.00 0.00 0.00 175.10 177.31 1wee s TRP 40 N 0.80 1.99 0.10 5.22 0.52 0.31 -1.78 118.94 126.11 1wee s TRP 40 Ca -0.13 0.48 0.10 0.00 0.02 0.00 0.00 56.10 56.57 1wee s TRP 40 Cb -0.15 -3.99 -0.04 0.00 -1.15 0.00 0.00 33.47 28.14 1wee s TRP 40 CO 0.02 -3.18 -0.25 -1.01 0.02 0.00 0.00 176.95 172.54 1wee s HIS 41 N 5.34 2.36 0.03 -1.98 3.76 -0.17 -4.15 115.29 120.48 1wee s HIS 41 Ca 0.74 -0.37 -0.30 0.00 -0.15 0.00 0.00 55.06 54.99 1wee s HIS 41 Cb -0.27 -1.31 -0.09 0.00 1.11 0.00 0.00 32.58 32.03 1wee s HIS 41 CO 0.30 0.29 1.98 -1.01 -0.85 0.00 0.00 174.74 175.45 1wee s HIS 42 N -1.00 1.26 0.46 1.40 3.76 -1.26 -1.03 115.29 118.87 1wee s HIS 42 Ca 0.14 -0.45 0.14 0.00 -0.15 0.00 0.00 55.06 54.74 1wee s HIS 42 Cb -0.10 -4.25 1.07 0.00 1.11 0.00 0.00 32.58 30.42 1wee s HIS 42 CO 0.06 -5.58 2.03 1.79 -0.85 0.00 0.00 174.74 172.19 1wee h THR 43 N 5.68 0.95 -0.24 1.30 1.35 -1.86 -1.14 112.91 118.94 1wee h THR 43 Ca -0.50 -0.11 -0.15 0.00 -0.55 0.00 0.00 66.41 65.10 1wee h THR 43 Cb 1.24 0.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 1wee h THR 43 CO 0.94 0.06 -0.46 0.08 -0.25 0.00 0.00 175.52 175.89 1wee h ARG 44 N 0.32 0.64 0.07 4.72 -0.00 -1.83 0.19 114.38 118.49 1wee h ARG 44 Ca 0.19 -0.36 -0.00 0.00 -0.00 0.00 0.00 59.98 59.81 1wee h ARG 44 Cb 0.34 0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.33 1wee h ARG 44 CO -0.04 0.97 -0.03 0.00 -0.00 0.00 0.00 179.97 180.86 1wee h ILE 46 N -0.24 0.63 0.00 0.00 3.07 -1.48 -3.46 117.51 116.03 1wee h ILE 46 Ca -0.01 -0.47 0.00 0.00 1.55 0.00 0.00 64.86 65.93 1wee h ILE 46 Cb 0.21 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 38.05 1wee h ILE 46 CO 0.02 0.11 0.00 0.61 -1.05 0.00 0.00 178.15 177.83 1wee n GLY 47 N -0.82 0.54 3.25 0.16 0.00 -0.92 -5.12 105.19 102.28 1wee n GLY 47 Ca -0.02 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.36 -0.37 0.41 -0.61 1.01 0.62 -4.96 121.20 116.95 1wee s ILE 48 Ca 0.00 0.14 0.06 0.00 0.00 0.00 0.00 60.65 60.85 1wee s ILE 48 Cb 0.00 -0.63 0.00 0.00 0.01 0.00 0.00 42.46 41.85 1wee s ILE 48 CO 0.00 0.06 0.57 0.21 0.00 0.00 0.00 174.94 175.78 1wee s ASN 49 N 2.09 5.74 0.25 3.58 2.47 -1.26 -3.14 114.94 124.67 1wee s ASN 49 Ca -0.05 -0.19 -0.03 0.00 0.42 0.00 0.00 52.86 53.02 1wee s ASN 49 Cb -0.10 -1.01 0.43 0.00 -1.45 0.00 0.00 41.25 39.12 1wee s ASN 49 CO -0.13 -0.69 1.82 0.78 -3.72 0.00 0.00 177.10 175.16 1wee h ASN 50 N 0.62 0.73 -0.24 -4.21 2.35 -2.00 -2.01 115.58 110.82 1wee h ASN 50 Ca -0.43 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.38 1wee h ASN 50 Cb 1.27 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.53 1wee h ASN 50 CO 0.50 0.41 0.13 0.00 -1.65 0.00 0.00 177.43 176.83 1wee h ALA 51 N 1.48 0.29 -2.30 -0.83 0.00 -2.06 -3.43 119.26 112.40 1wee h ALA 51 Ca 0.42 -0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.84 1wee h ALA 51 Cb 0.39 -0.06 0.16 0.00 0.00 0.00 0.00 17.79 18.28 1wee h ALA 51 CO -0.25 -0.26 0.23 0.34 0.00 0.00 0.00 179.25 179.31 1wee s ASP 52 N -5.37 3.29 0.40 0.00 2.15 -0.76 -5.06 116.67 111.32 1wee s ASP 52 Ca -0.13 1.66 0.08 0.00 0.43 0.00 0.00 52.55 54.58 1wee s ASP 52 Cb 0.09 -2.31 -0.02 0.00 -0.30 0.00 0.00 42.92 40.38 1wee s ASP 52 CO 0.70 -2.78 0.37 0.00 -0.17 0.00 0.00 175.17 173.29 1wee s ALA 53 N -2.83 4.03 0.08 3.66 0.00 -1.26 -4.74 121.76 120.70 1wee s ALA 53 Ca 0.64 -1.83 -0.25 0.00 0.00 0.00 0.00 51.96 50.52 1wee s ALA 53 Cb -0.19 -1.07 -0.06 0.00 0.00 0.00 0.00 23.12 21.79 1wee s ALA 53 CO 0.58 -0.18 0.76 -0.51 0.00 0.00 0.00 175.76 176.41 1wee s LEU 54 N -4.11 4.50 0.45 0.00 1.43 -1.26 -4.98 118.68 114.71 1wee s LEU 54 Ca 0.47 1.50 -0.23 0.00 -1.03 0.00 0.00 54.13 54.84 1wee s LEU 54 Cb -0.04 -3.23 -0.07 0.00 0.03 0.00 0.00 46.19 42.87 1wee s LEU 54 CO 0.28 0.09 1.17 -2.16 0.23 0.00 0.00 176.35 175.96 1wee s PRO 55 N -0.46 3.79 0.25 1.29 0.04 -1.26 -4.93 135.00 133.71 1wee s PRO 55 Ca 0.37 1.78 -0.03 0.00 0.04 0.00 0.00 61.00 63.17 1wee s PRO 55 Cb -0.21 -2.44 0.49 0.00 0.04 0.00 0.00 34.50 32.38 1wee s PRO 55 CO 0.24 -0.53 1.75 1.03 0.04 0.00 0.00 177.00 179.52 1wee h SER 56 N 2.11 0.40 -3.26 6.66 0.87 -2.05 -3.40 113.55 114.88 1wee h SER 56 Ca -0.49 0.10 -0.26 0.00 -1.23 0.00 0.00 61.79 59.91 1wee h SER 56 Cb 1.25 0.05 -0.33 0.00 -0.44 0.00 0.00 62.40 62.92 1wee h SER 56 CO 0.60 0.16 -0.60 -1.59 -0.53 0.00 0.00 176.83 174.88 1wee s LYS 57 N -6.00 0.08 -0.04 2.24 -2.85 -1.26 -5.03 119.74 106.88 1wee s LYS 57 Ca -0.12 0.48 0.07 0.00 -1.00 0.00 0.00 55.97 55.40 1wee s LYS 57 Cb 0.21 -0.20 -0.01 0.00 -2.06 0.00 0.00 37.83 35.76 1wee s LYS 57 CO 0.77 -0.23 -0.25 0.12 0.10 0.00 0.00 175.35 175.87 1wee s PHE 58 N 1.68 2.41 -0.21 1.78 2.19 -1.26 -5.02 117.98 119.54 1wee s PHE 58 Ca -0.04 -0.59 0.02 0.00 0.33 0.00 0.00 56.93 56.64 1wee s PHE 58 Cb -0.12 -1.56 0.04 0.00 -1.31 0.00 0.00 43.02 40.07 1wee s PHE 58 CO -0.06 -0.13 -0.15 -0.51 1.83 0.00 0.00 175.22 176.19 1wee s LEU 59 N -0.35 2.65 0.50 6.12 2.01 -1.26 -2.50 118.68 125.86 1wee s LEU 59 Ca 0.02 -0.96 -0.22 0.00 0.01 0.00 0.00 54.13 52.98 1wee s LEU 59 Cb -0.12 -1.48 -0.06 0.00 0.01 0.00 0.00 46.19 44.54 1wee s LEU 59 CO 0.02 -0.09 1.26 0.00 1.01 0.00 0.00 176.35 178.55 1wee n PHE 61 N -0.77 0.47 -0.05 0.00 -1.74 -1.26 -0.19 117.46 113.92 1wee n PHE 61 Ca 0.09 0.88 -0.08 0.00 -0.56 0.00 0.00 57.45 57.78 1wee n PHE 61 Cb 0.46 -1.05 -0.05 0.00 1.52 0.00 0.00 39.48 40.36 1wee n PHE 61 CO 0.00 0.00 0.00 -0.09 -0.56 0.00 0.00 176.76 176.11 1wee h ARG 62 N 0.00 -0.24 -0.57 3.97 1.12 -2.01 -1.86 114.38 114.79 1wee h ARG 62 Ca 0.45 0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 59.31 1wee h ARG 62 Cb 0.93 0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 30.92 1wee h ARG 62 CO -0.68 -0.16 0.26 0.00 -3.11 0.00 0.00 179.97 176.27 1wee h ILE 64 N 0.78 0.20 0.18 0.00 2.04 -0.28 0.94 117.51 121.36 1wee h ILE 64 Ca 0.19 -0.01 -0.31 0.00 1.00 0.00 0.00 64.86 65.73 1wee h ILE 64 Cb 0.15 0.16 0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1wee h ILE 64 CO -0.02 0.01 -1.44 -0.33 0.00 0.00 0.00 178.15 176.37 1wee h GLU 65 N 0.04 0.37 -0.98 2.37 5.08 -0.88 -3.32 114.58 117.27 1wee h GLU 65 Ca 0.76 -0.63 0.06 0.00 -1.00 0.00 0.00 59.36 58.55 1wee h GLU 65 Cb 2.87 0.24 -0.06 0.00 0.50 0.00 0.00 28.75 32.30 1wee h GLU 65 CO -0.10 1.28 0.63 -0.07 -1.00 0.00 0.00 179.01 179.75 1wee h LEU 66 N 0.10 1.02 -0.73 1.33 4.07 0.95 -2.27 115.31 119.78 1wee h LEU 66 Ca -0.22 0.01 0.16 0.00 0.08 0.00 0.00 57.88 57.91 1wee h LEU 66 Cb 2.06 -0.21 -0.12 0.00 1.08 0.00 0.00 40.66 43.47 1wee h LEU 66 CO 0.22 0.66 0.11 -1.28 -1.08 0.00 0.00 178.44 177.07 1wee h SER 67 N 1.16 -0.12 0.00 -0.43 0.87 -1.46 -3.07 113.55 110.49 1wee h SER 67 Ca 0.41 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 61.14 1wee h SER 67 Cb 0.13 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1wee h SER 67 CO -0.16 -0.10 0.00 0.61 -0.53 0.00 0.00 176.83 176.65 1wee n GLY 68 N -1.37 -2.64 3.77 5.77 0.00 -0.85 -3.22 105.19 106.64 1wee n GLY 68 Ca 0.14 0.56 -0.39 0.00 0.00 0.00 0.00 46.02 46.32 1wee n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wee s PRO 69 N -1.23 4.21 -1.44 1.61 0.04 -1.16 -3.29 135.00 133.74 1wee s PRO 69 Ca 0.00 1.96 -0.10 0.00 0.04 0.00 0.00 61.00 62.89 1wee s PRO 69 Cb 0.00 -2.86 0.05 0.00 0.04 0.00 0.00 34.50 31.73 1wee s PRO 69 CO 0.00 -0.22 1.02 0.45 0.04 0.00 0.00 177.00 178.29 1wee n SER 70 N 0.43 -4.82 -4.69 6.66 2.88 -1.26 -4.87 113.62 107.96 1wee n SER 70 Ca 0.02 -0.70 -0.42 0.00 -1.33 0.00 0.00 58.87 56.44 1wee n SER 70 Cb 0.45 -4.33 -0.03 0.00 -0.75 0.00 0.00 64.21 59.55 1wee n SER 70 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wee s SER 71 N -3.47 6.44 0.00 -3.46 0.15 -1.20 -5.01 113.70 107.15 1wee s SER 71 Ca 0.54 2.73 0.00 0.00 0.70 0.00 0.00 55.95 59.92 1wee s SER 71 Cb -0.26 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.49 1wee s SER 71 CO 0.79 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 174.84