#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wee n SER 2 N 0.00 1.96 -0.01 1.61 3.41 -1.26 -4.88 113.62 114.45 1wee n SER 2 Ca 0.00 0.15 -0.03 0.00 -0.26 0.00 0.00 58.87 58.73 1wee n SER 2 Cb 0.00 -0.65 -0.01 0.00 -0.26 0.00 0.00 64.21 63.29 1wee n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wee n SER 3 N -3.85 0.30 -2.66 4.04 2.88 -1.26 -5.01 113.62 108.07 1wee n SER 3 Ca -0.51 0.05 -0.04 0.00 -1.33 0.00 0.00 58.87 57.05 1wee n SER 3 Cb 0.92 -0.12 -0.01 0.00 -0.75 0.00 0.00 64.21 64.26 1wee n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wee n GLY 4 N 2.84 -0.79 4.39 0.46 0.00 -1.26 -4.98 105.19 105.86 1wee n GLY 4 Ca -0.06 0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1wee n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wee n SER 5 N -0.44 -1.67 -4.38 1.61 3.41 -1.26 -4.58 113.62 106.31 1wee n SER 5 Ca -0.26 -1.18 -0.42 0.00 -0.26 0.00 0.00 58.87 56.75 1wee n SER 5 Cb 0.66 -1.98 -0.14 0.00 -0.26 0.00 0.00 64.21 62.48 1wee n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wee n SER 6 N -2.61 0.33 -3.62 4.04 7.64 -1.26 -4.83 113.62 113.30 1wee n SER 6 Ca 0.01 0.22 -0.12 0.00 1.01 0.00 0.00 58.87 59.99 1wee n SER 6 Cb 0.52 -0.90 -0.07 0.00 -1.01 0.00 0.00 64.21 62.75 1wee n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wee s GLY 7 N 8.53 -0.36 0.15 0.23 0.00 -1.26 -5.17 107.32 109.43 1wee s GLY 7 Ca 1.32 2.26 0.05 0.00 0.00 0.00 0.00 44.72 48.35 1wee s GLY 7 CO 0.50 1.69 0.10 -0.29 0.00 0.00 0.00 173.10 175.09 1wee s MET 8 N 0.12 2.78 0.12 2.90 -2.45 -1.26 -5.05 119.30 116.47 1wee s MET 8 Ca 0.01 -0.89 -0.33 0.00 -1.25 0.00 0.00 55.69 53.23 1wee s MET 8 Cb -0.04 -2.60 -0.18 0.00 1.25 0.00 0.00 34.83 33.26 1wee s MET 8 CO -0.01 0.49 0.77 0.39 1.05 0.00 0.00 175.02 177.71 1wee n GLU 9 N -0.15 0.09 -3.09 4.11 -0.58 -1.26 -4.84 120.64 114.91 1wee n GLU 9 Ca -0.09 0.03 -0.45 0.00 -0.42 0.00 0.00 57.16 56.24 1wee n GLU 9 Cb 0.54 -1.25 -0.01 0.00 -0.57 0.00 0.00 31.44 30.15 1wee n GLU 9 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1wee s ARG 10 N -0.60 3.86 0.00 3.49 0.52 -1.26 -4.92 118.95 120.05 1wee s ARG 10 Ca 0.75 -2.42 0.00 0.00 -0.52 0.00 0.00 55.73 53.54 1wee s ARG 10 Cb -1.05 -4.79 0.00 0.00 0.52 0.00 0.00 34.95 29.62 1wee s ARG 10 CO 0.56 -1.57 0.00 0.41 0.02 0.00 0.00 175.30 174.72 1wee n GLY 11 N 4.26 2.59 2.86 -3.53 0.00 -1.25 -4.64 105.19 105.48 1wee n GLY 11 Ca 0.26 -1.38 -0.38 0.00 0.00 0.00 0.00 46.02 44.52 1wee n GLY 11 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wee n VAL 12 N -1.45 1.01 0.01 1.61 0.31 -1.26 -4.83 118.33 113.74 1wee n VAL 12 Ca 0.00 -0.43 -0.11 0.00 -0.01 0.00 0.00 64.34 63.79 1wee n VAL 12 Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 1wee n VAL 12 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1wee h ASP 13 N 0.51 -0.10 -0.37 4.52 3.32 -1.99 -3.35 116.42 118.95 1wee h ASP 13 Ca -0.29 -0.49 0.05 0.00 0.02 0.00 0.00 57.03 56.32 1wee h ASP 13 Cb 1.24 0.03 -0.08 0.00 0.22 0.00 0.00 39.33 40.73 1wee h ASP 13 CO 0.44 0.52 -0.54 0.78 -1.72 0.00 0.00 179.24 178.72 1wee h ASN 14 N -0.81 -1.78 -4.17 6.45 4.21 -2.05 -3.41 115.58 114.01 1wee h ASN 14 Ca -0.01 0.24 -0.46 0.00 1.21 0.00 0.00 56.30 57.27 1wee h ASN 14 Cb 0.59 0.73 -0.29 0.00 -1.12 0.00 0.00 38.32 38.23 1wee h ASN 14 CO 0.02 -0.41 -0.80 0.26 -1.29 0.00 0.00 177.43 175.21 1wee s TRP 15 N -5.69 1.17 0.08 1.19 0.52 -1.26 -5.12 118.94 109.83 1wee s TRP 15 Ca -0.15 -0.22 -0.31 0.00 0.02 0.00 0.00 56.10 55.45 1wee s TRP 15 Cb 0.09 -0.75 -0.07 0.00 -1.15 0.00 0.00 33.47 31.59 1wee s TRP 15 CO 0.62 -0.02 1.41 0.21 0.02 0.00 0.00 176.95 179.19 1wee s LYS 16 N -0.31 4.30 -0.60 4.98 2.20 -1.26 -3.99 119.74 125.06 1wee s LYS 16 Ca 0.05 2.06 0.05 0.00 -0.36 0.00 0.00 55.97 57.77 1wee s LYS 16 Cb -0.05 -3.36 0.17 0.00 -1.51 0.00 0.00 37.83 33.08 1wee s LYS 16 CO -0.00 -0.49 0.45 0.28 -0.36 0.00 0.00 175.35 175.23 1wee n VAL 17 N 4.20 0.62 -4.59 4.02 0.31 -1.26 -0.25 118.33 121.38 1wee n VAL 17 Ca 0.12 -4.36 -0.30 0.00 -0.01 0.00 0.00 64.34 59.79 1wee n VAL 17 Cb 0.43 -1.99 -0.13 0.00 -0.91 0.00 0.00 33.84 31.23 1wee n VAL 17 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wee s ASP 18 N -0.98 3.43 0.27 4.52 -1.08 -1.25 -4.09 116.67 117.50 1wee s ASP 18 Ca 0.29 -0.62 -0.11 0.00 -0.52 0.00 0.00 52.55 51.58 1wee s ASP 18 Cb -0.00 -0.35 -0.00 0.00 -1.46 0.00 0.00 42.92 41.10 1wee s ASP 18 CO -0.17 0.22 0.49 0.00 0.52 0.00 0.00 175.17 176.23 1wee h LYS 20 N 2.22 0.34 -0.94 0.00 2.10 -1.99 -3.36 116.57 114.94 1wee h LYS 20 Ca -0.27 -0.58 0.28 0.00 -2.00 0.00 0.00 60.65 58.08 1wee h LYS 20 Cb 1.25 0.22 -0.16 0.00 -0.90 0.00 0.00 32.23 32.63 1wee h LYS 20 CO 0.36 1.24 0.22 0.00 -2.00 0.00 0.00 179.45 179.27 1wee n GLY 22 N -1.40 0.92 3.71 0.00 0.00 -1.26 -5.15 105.19 102.02 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 -0.92 4.45 -0.01 2.61 2.01 -1.26 -4.99 115.64 117.53 1wee s THR 23 Ca 0.00 -0.29 0.04 0.00 0.31 0.00 0.00 61.69 61.76 1wee s THR 23 Cb 0.00 -2.92 -0.07 0.00 0.01 0.00 0.00 72.50 69.52 1wee s THR 23 CO 0.00 0.54 0.09 2.29 -0.69 0.00 0.00 174.62 176.84 1wee n LYS 24 N 1.87 0.50 -4.23 4.92 2.85 -1.26 -3.44 118.16 119.38 1wee n LYS 24 Ca -0.17 -0.04 -0.16 0.00 -1.05 0.00 0.00 58.31 56.89 1wee n LYS 24 Cb 0.53 -1.11 -0.08 0.00 -0.65 0.00 0.00 35.03 33.72 1wee n LYS 24 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1wee s ASP 25 N -2.64 1.06 -0.32 -5.58 1.01 -1.26 -3.93 116.67 105.01 1wee s ASP 25 Ca -0.02 -1.59 -0.28 0.00 0.71 0.00 0.00 52.55 51.37 1wee s ASP 25 Cb 0.03 0.51 -0.03 0.00 1.01 0.00 0.00 42.92 44.44 1wee s ASP 25 CO 0.19 -1.02 1.92 -1.81 0.21 0.00 0.00 175.17 174.66 1wee s ASP 26 N -3.28 5.72 -0.16 0.27 1.01 -1.26 -4.86 116.67 114.11 1wee s ASP 26 Ca 0.39 1.39 -0.16 0.00 0.71 0.00 0.00 52.55 54.88 1wee s ASP 26 Cb 0.04 -2.52 -0.13 0.00 1.01 0.00 0.00 42.92 41.31 1wee s ASP 26 CO 0.21 -1.83 0.19 0.44 0.21 0.00 0.00 175.17 174.39 1wee h ASP 27 N 13.69 0.00 0.00 0.27 5.19 -2.01 -3.49 116.42 130.07 1wee h ASP 27 Ca -0.35 -0.39 0.00 0.00 -0.62 0.00 0.00 57.03 55.67 1wee h ASP 27 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 1wee h ASP 27 CO 1.03 1.02 0.00 0.61 -3.12 0.00 0.00 179.24 178.78 1wee n GLY 28 N 1.58 0.04 3.80 2.75 0.00 -1.26 -5.14 105.19 106.96 1wee n GLY 28 Ca -0.15 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.63 4.12 0.55 1.61 8.01 -1.26 -5.04 118.70 126.06 1wee s GLU 29 Ca 0.00 1.27 -0.17 0.00 0.01 0.00 0.00 54.97 56.08 1wee s GLU 29 Cb 0.00 -2.26 -0.06 0.00 -4.31 0.00 0.00 34.13 27.50 1wee s GLU 29 CO 0.00 -0.15 1.03 0.50 0.01 0.00 0.00 175.26 176.66 1wee s ARG 30 N -3.00 3.60 0.33 1.61 3.52 -1.26 -4.98 118.95 118.77 1wee s ARG 30 Ca 0.62 1.17 0.03 0.00 -0.13 0.00 0.00 55.73 57.42 1wee s ARG 30 Cb -0.14 -2.08 -0.04 0.00 -1.56 0.00 0.00 34.95 31.14 1wee s ARG 30 CO 0.18 -0.58 0.14 -1.64 -0.81 0.00 0.00 175.30 172.59 1wee s MET 31 N -3.87 1.66 -0.03 5.12 -1.94 -1.26 -2.55 119.30 116.43 1wee s MET 31 Ca 0.63 -1.96 0.01 0.00 -1.71 0.00 0.00 55.69 52.66 1wee s MET 31 Cb -0.14 -0.32 0.02 0.00 2.01 0.00 0.00 34.83 36.40 1wee s MET 31 CO 0.31 -0.41 -0.03 -0.48 -0.01 0.00 0.00 175.02 174.40 1wee s LEU 32 N -3.43 1.38 0.47 -0.03 2.34 -0.10 -4.80 118.68 114.51 1wee s LEU 32 Ca 0.33 -0.08 -0.21 0.00 0.06 0.00 0.00 54.13 54.23 1wee s LEU 32 Cb 0.05 -0.33 -0.08 0.00 -0.56 0.00 0.00 46.19 45.27 1wee s LEU 32 CO 0.16 -0.05 1.06 0.00 -1.06 0.00 0.00 176.35 176.46 1wee s ALA 33 N 0.78 2.91 -0.37 1.48 0.00 -1.26 -1.94 121.76 123.36 1wee s ALA 33 Ca -0.09 0.67 -0.29 0.00 0.00 0.00 0.00 51.96 52.24 1wee s ALA 33 Cb -0.12 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.73 1wee s ALA 33 CO -0.01 -0.35 1.32 0.00 0.00 0.00 0.00 175.76 176.73 1wee h ASP 35 N 9.85 0.04 0.00 0.00 3.58 -1.89 -0.60 116.42 127.40 1wee h ASP 35 Ca -0.26 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.21 1wee h ASP 35 Cb 1.10 0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1wee h ASP 35 CO 1.07 -0.03 0.00 0.61 -2.88 0.00 0.00 179.24 178.00 1wee n GLY 36 N -1.83 0.51 0.00 -0.78 0.00 -1.26 -4.79 105.19 97.04 1wee n GLY 36 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 1.46 -0.04 3.76 0.00 0.00 -0.27 -4.90 105.19 105.20 1wee n GLY 38 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1wee n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wee s VAL 39 N 0.00 2.35 0.42 1.61 0.11 -1.26 -3.84 120.40 119.79 1wee s VAL 39 Ca 0.00 0.33 -0.02 0.00 -2.93 0.00 0.00 61.98 59.35 1wee s VAL 39 Cb 0.00 -3.21 -0.03 0.00 -1.53 0.00 0.00 36.38 31.61 1wee s VAL 39 CO 0.00 0.07 0.68 0.26 -3.33 0.00 0.00 175.10 172.77 1wee s TRP 40 N -0.59 3.53 -0.04 1.54 0.52 0.65 0.06 118.94 124.60 1wee s TRP 40 Ca 0.56 0.59 -0.24 0.00 0.02 0.00 0.00 56.10 57.03 1wee s TRP 40 Cb -0.44 -2.12 0.05 0.00 -1.15 0.00 0.00 33.47 29.81 1wee s TRP 40 CO 0.53 -0.10 0.53 -1.01 0.02 0.00 0.00 176.95 176.91 1wee s HIS 41 N -2.55 -0.47 0.13 -1.98 3.76 -0.82 -3.76 115.29 109.61 1wee s HIS 41 Ca 0.44 0.80 -0.31 0.00 -0.15 0.00 0.00 55.06 55.84 1wee s HIS 41 Cb -0.10 0.28 -0.10 0.00 1.11 0.00 0.00 32.58 33.76 1wee s HIS 41 CO 0.41 -0.51 1.80 -1.01 -0.85 0.00 0.00 174.74 174.58 1wee s HIS 42 N -1.19 2.29 0.43 1.40 3.76 -1.26 -0.93 115.29 119.79 1wee s HIS 42 Ca -0.12 0.06 0.16 0.00 -0.15 0.00 0.00 55.06 55.01 1wee s HIS 42 Cb -0.02 -4.16 1.06 0.00 1.11 0.00 0.00 32.58 30.57 1wee s HIS 42 CO 0.07 -4.71 1.94 1.79 -0.85 0.00 0.00 174.74 172.98 1wee h THR 43 N 4.56 0.82 -0.09 1.30 1.35 -1.83 -1.06 112.91 117.95 1wee h THR 43 Ca -0.45 -0.14 -0.20 0.00 -0.55 0.00 0.00 66.41 65.07 1wee h THR 43 Cb 1.21 0.39 0.01 0.00 -1.73 0.00 0.00 68.15 68.03 1wee h THR 43 CO 0.95 0.07 -0.71 0.03 -0.25 0.00 0.00 175.52 175.61 1wee h ARG 44 N 0.39 0.64 -0.89 4.72 2.47 -1.89 -2.28 114.38 117.56 1wee h ARG 44 Ca 0.34 -0.57 0.03 0.00 -1.26 0.00 0.00 59.98 58.52 1wee h ARG 44 Cb 0.79 0.13 -0.05 0.00 -1.65 0.00 0.00 29.97 29.19 1wee h ARG 44 CO -0.10 1.19 0.58 0.00 0.56 0.00 0.00 179.97 182.20 1wee h ILE 46 N 1.12 0.80 -0.55 0.00 3.07 -1.36 -3.49 117.51 117.11 1wee h ILE 46 Ca 0.35 -1.80 0.00 0.00 1.55 0.00 0.00 64.86 64.96 1wee h ILE 46 Cb 0.01 2.15 0.00 0.00 -0.27 0.00 0.00 36.82 38.71 1wee h ILE 46 CO -0.10 0.40 0.00 0.61 -1.05 0.00 0.00 178.15 178.01 1wee n GLY 47 N 0.73 0.51 3.55 0.16 0.00 -0.48 -5.11 105.19 104.54 1wee n GLY 47 Ca 0.01 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.86 3.46 0.43 -0.61 -1.09 -0.90 -5.01 121.20 116.62 1wee s ILE 48 Ca 0.00 -0.71 -0.17 0.00 -2.23 0.00 0.00 60.65 57.54 1wee s ILE 48 Cb 0.00 -2.44 -0.09 0.00 -1.58 0.00 0.00 42.46 38.35 1wee s ILE 48 CO 0.00 0.49 0.89 0.21 -1.23 0.00 0.00 174.94 175.30 1wee s ASN 49 N -1.09 6.75 0.56 3.58 3.04 -1.26 -4.90 114.94 121.62 1wee s ASN 49 Ca 0.14 1.49 0.25 0.00 0.04 0.00 0.00 52.86 54.78 1wee s ASN 49 Cb -0.11 -2.46 1.55 0.00 -1.54 0.00 0.00 41.25 38.68 1wee s ASN 49 CO 0.04 -0.40 2.14 -1.13 -3.04 0.00 0.00 177.10 174.70 1wee h ASN 50 N 1.58 0.00 -0.35 -4.21 -0.73 -2.02 -1.01 115.58 108.83 1wee h ASN 50 Ca -0.48 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 57.50 1wee h ASN 50 Cb 1.18 0.00 -0.11 0.00 0.27 0.00 0.00 38.32 39.66 1wee h ASN 50 CO 0.62 0.00 0.25 0.00 -0.37 0.00 0.00 177.43 177.93 1wee n ALA 51 N -2.44 3.84 -3.62 1.57 0.00 -1.26 -4.82 120.51 113.78 1wee n ALA 51 Ca 0.00 -1.07 -0.05 0.00 0.00 0.00 0.00 53.44 52.32 1wee n ALA 51 Cb 0.23 -1.18 -0.05 0.00 0.00 0.00 0.00 19.45 18.46 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 0.27 -0.16 0.00 0.00 2.15 -0.38 -5.05 116.67 113.50 1wee s ASP 52 Ca 0.21 0.18 0.00 0.00 0.43 0.00 0.00 52.55 53.37 1wee s ASP 52 Cb 0.17 0.14 0.00 0.00 -0.30 0.00 0.00 42.92 42.93 1wee s ASP 52 CO 0.03 -0.15 0.00 0.00 -0.17 0.00 0.00 175.17 174.89 1wee n ALA 53 N 0.64 1.94 -3.68 3.66 0.00 -1.26 -4.37 120.51 117.44 1wee n ALA 53 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.30 1wee n ALA 53 Cb 0.58 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.93 1wee n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wee s LEU 54 N -2.14 -0.25 0.69 0.00 1.43 -1.26 -4.98 118.68 112.16 1wee s LEU 54 Ca 0.00 0.90 -0.14 0.00 -1.03 0.00 0.00 54.13 53.86 1wee s LEU 54 Cb 0.00 1.31 0.02 0.00 0.03 0.00 0.00 46.19 47.54 1wee s LEU 54 CO 0.00 -0.21 1.11 -2.16 0.23 0.00 0.00 176.35 175.32 1wee s PRO 55 N 1.80 2.65 0.23 1.29 0.04 -1.26 -4.94 135.00 134.79 1wee s PRO 55 Ca -0.07 1.33 -0.07 0.00 0.04 0.00 0.00 61.00 62.23 1wee s PRO 55 Cb -0.10 -1.93 0.34 0.00 0.04 0.00 0.00 34.50 32.85 1wee s PRO 55 CO -0.12 -1.36 1.77 1.03 0.04 0.00 0.00 177.00 178.35 1wee h SER 56 N -0.29 0.39 -2.76 6.66 0.87 -2.05 -3.39 113.55 112.98 1wee h SER 56 Ca -0.46 0.07 -0.33 0.00 -1.23 0.00 0.00 61.79 59.84 1wee h SER 56 Cb 1.24 0.01 -0.36 0.00 -0.44 0.00 0.00 62.40 62.85 1wee h SER 56 CO 0.53 0.22 -0.64 -0.54 -0.53 0.00 0.00 176.83 175.87 1wee s LYS 57 N -6.06 0.13 -0.44 2.24 1.02 -1.26 -5.12 119.74 110.26 1wee s LYS 57 Ca -0.13 0.28 -0.15 0.00 0.02 0.00 0.00 55.97 56.00 1wee s LYS 57 Cb 0.18 -1.00 0.05 0.00 -0.52 0.00 0.00 37.83 36.54 1wee s LYS 57 CO 0.76 -0.55 0.34 0.12 -0.92 0.00 0.00 175.35 175.10 1wee s PHE 58 N 2.29 3.25 -0.37 3.18 5.36 -1.26 -5.03 117.98 125.40 1wee s PHE 58 Ca 0.05 -0.82 0.02 0.00 -0.96 0.00 0.00 56.93 55.22 1wee s PHE 58 Cb -0.15 -2.87 0.10 0.00 -0.34 0.00 0.00 43.02 39.76 1wee s PHE 58 CO -0.10 -0.70 0.11 -0.51 -1.46 0.00 0.00 175.22 172.56 1wee s LEU 59 N 1.64 4.93 0.88 6.12 2.01 -1.26 -3.11 118.68 129.90 1wee s LEU 59 Ca 0.04 -2.14 -0.15 0.00 0.01 0.00 0.00 54.13 51.89 1wee s LEU 59 Cb -0.22 -1.70 -0.06 0.00 0.01 0.00 0.00 46.19 44.22 1wee s LEU 59 CO 0.08 -0.43 -0.06 0.00 1.01 0.00 0.00 176.35 176.94 1wee n PHE 61 N -2.75 0.00 -0.26 0.00 3.72 -1.26 -0.99 117.46 115.92 1wee n PHE 61 Ca 0.04 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.36 1wee n PHE 61 Cb 0.53 -0.25 -0.07 0.00 -0.94 0.00 0.00 39.48 38.75 1wee n PHE 61 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wee h ARG 62 N 0.00 -0.04 -0.90 -1.08 3.08 -2.01 -0.91 114.38 112.51 1wee h ARG 62 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.14 1wee h ARG 62 Cb 0.00 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 29.95 1wee h ARG 62 CO 0.00 -0.03 -0.52 0.00 -1.07 0.00 0.00 179.97 178.35 1wee n ILE 64 N -5.14 -0.30 0.13 0.00 5.41 -0.35 0.23 119.36 119.34 1wee n ILE 64 Ca 0.02 1.50 -0.22 0.00 1.00 0.00 0.00 62.75 65.05 1wee n ILE 64 Cb 0.24 -2.30 -0.15 0.00 -0.71 0.00 0.00 39.64 36.72 1wee n ILE 64 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1wee h GLU 65 N 0.00 0.45 -0.85 0.38 4.39 0.23 -3.31 114.58 115.86 1wee h GLU 65 Ca 0.51 -0.77 0.06 0.00 0.34 0.00 0.00 59.36 59.50 1wee h GLU 65 Cb 1.22 0.29 -0.06 0.00 -0.10 0.00 0.00 28.75 30.10 1wee h GLU 65 CO -0.61 1.36 0.53 1.25 -1.16 0.00 0.00 179.01 180.38 1wee h LEU 66 N 0.12 0.83 -7.12 1.33 5.85 0.42 -3.42 115.31 113.34 1wee h LEU 66 Ca -0.23 0.01 -0.46 0.00 0.84 0.00 0.00 57.88 58.04 1wee h LEU 66 Cb 2.11 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 42.90 1wee h LEU 66 CO 0.25 0.54 1.53 -1.20 -0.34 0.00 0.00 178.44 179.22 1wee n SER 67 N -4.62 0.29 -0.02 1.25 7.64 0.56 -4.79 113.62 113.94 1wee n SER 67 Ca 0.12 0.20 -0.01 0.00 1.01 0.00 0.00 58.87 60.19 1wee n SER 67 Cb 0.17 -0.82 -0.00 0.00 -1.01 0.00 0.00 64.21 62.55 1wee n SER 67 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1wee h GLY 68 N 10.46 0.00 -0.08 0.23 0.00 -1.91 -3.37 103.07 108.39 1wee h GLY 68 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1wee h GLY 68 CO 1.22 0.00 0.00 -1.55 0.00 0.00 0.00 176.54 176.21 1wee n PRO 69 N -2.89 0.49 -0.75 4.80 -0.04 -1.26 -4.11 135.00 131.23 1wee n PRO 69 Ca -0.02 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.38 1wee n PRO 69 Cb 0.06 -1.02 -0.09 0.00 -0.04 0.00 0.00 33.50 32.41 1wee n PRO 69 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wee n SER 70 N -0.44 5.22 -3.62 3.54 3.41 -1.26 -4.74 113.62 115.74 1wee n SER 70 Ca 0.00 -2.43 -0.07 0.00 -0.26 0.00 0.00 58.87 56.10 1wee n SER 70 Cb 0.01 -1.27 -0.06 0.00 -0.26 0.00 0.00 64.21 62.64 1wee n SER 70 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wee s SER 71 N 2.01 -0.28 0.00 4.04 0.15 -1.26 -5.11 113.70 113.25 1wee s SER 71 Ca 0.35 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.42 1wee s SER 71 Cb 0.17 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1wee s SER 71 CO 0.00 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.87