#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 5.35 0.57 1.61 0.01 -1.26 -5.09 113.70 114.89 1wee s SER 2 Ca 0.00 -2.10 -0.18 0.00 1.31 0.00 0.00 55.95 54.97 1wee s SER 2 Cb 0.00 -1.87 -0.05 0.00 0.21 0.00 0.00 66.02 64.31 1wee s SER 2 CO 0.00 -0.55 1.12 -0.44 0.41 0.00 0.00 173.24 173.78 1wee s SER 3 N 1.87 5.62 0.00 2.44 0.01 -1.26 -5.00 113.70 117.37 1wee s SER 3 Ca 0.09 2.13 0.00 0.00 1.31 0.00 0.00 55.95 59.47 1wee s SER 3 Cb -0.23 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.43 1wee s SER 3 CO -0.04 -1.29 0.00 0.61 0.41 0.00 0.00 173.24 172.94 1wee n GLY 4 N -0.01 -1.29 3.67 3.44 0.00 -1.26 -5.11 105.19 104.62 1wee n GLY 4 Ca 0.11 -0.91 -0.50 0.00 0.00 0.00 0.00 46.02 44.73 1wee n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wee n SER 5 N 0.58 3.23 -4.12 1.61 2.88 -1.26 -4.96 113.62 111.58 1wee n SER 5 Ca 0.00 0.94 -0.14 0.00 -1.33 0.00 0.00 58.87 58.34 1wee n SER 5 Cb 0.00 -1.34 -0.11 0.00 -0.75 0.00 0.00 64.21 62.01 1wee n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wee s SER 6 N 4.30 1.19 0.00 -3.46 1.04 -1.26 -5.11 113.70 110.40 1wee s SER 6 Ca 0.95 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1wee s SER 6 Cb -0.75 0.02 0.00 0.00 0.10 0.00 0.00 66.02 65.39 1wee s SER 6 CO 0.53 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.14 1wee n GLY 7 N 1.06 0.39 2.69 7.32 0.00 -1.26 -5.00 105.19 110.38 1wee n GLY 7 Ca -0.20 -1.81 -0.24 0.00 0.00 0.00 0.00 46.02 43.76 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 -2.29 0.30 0.06 1.61 -2.45 -1.26 -5.12 119.30 110.15 1wee s MET 8 Ca 0.00 -0.03 -0.31 0.00 -1.25 0.00 0.00 55.69 54.11 1wee s MET 8 Cb 0.00 -1.44 -0.07 0.00 1.25 0.00 0.00 34.83 34.58 1wee s MET 8 CO 0.00 -0.51 1.41 -1.83 1.05 0.00 0.00 175.02 175.14 1wee s GLU 9 N 2.04 4.30 0.32 4.11 -1.05 -1.26 -5.00 118.70 122.16 1wee s GLU 9 Ca 0.03 2.05 -0.03 0.00 -0.15 0.00 0.00 54.97 56.87 1wee s GLU 9 Cb -0.15 -3.41 -0.00 0.00 -0.44 0.00 0.00 34.13 30.13 1wee s GLU 9 CO -0.07 -0.51 0.44 1.03 0.95 0.00 0.00 175.26 177.10 1wee s ARG 10 N 1.74 1.81 0.00 -4.83 0.52 -1.26 -5.06 118.95 111.88 1wee s ARG 10 Ca 0.65 -1.72 0.00 0.00 -0.52 0.00 0.00 55.73 54.14 1wee s ARG 10 Cb -0.35 0.43 0.00 0.00 0.52 0.00 0.00 34.95 35.55 1wee s ARG 10 CO 0.29 -0.74 0.00 0.41 0.02 0.00 0.00 175.30 175.28 1wee n GLY 11 N -0.53 1.16 3.28 -3.53 0.00 -1.26 -4.97 105.19 99.34 1wee n GLY 11 Ca 0.01 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 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 1.79 -0.03 1.61 0.11 -1.26 -5.00 120.40 117.62 1wee s VAL 12 Ca 0.00 -1.27 -0.01 0.00 -2.93 0.00 0.00 61.98 57.77 1wee s VAL 12 Cb 0.00 -1.55 -0.02 0.00 -1.53 0.00 0.00 36.38 33.28 1wee s VAL 12 CO 0.00 0.22 -0.04 -0.67 -3.33 0.00 0.00 175.10 171.29 1wee n ASP 13 N 1.77 1.38 -0.32 3.54 2.03 -1.26 -4.78 116.55 118.91 1wee n ASP 13 Ca -0.17 0.02 -0.09 0.00 0.52 0.00 0.00 54.79 55.07 1wee n ASP 13 Cb 0.53 -0.08 -0.06 0.00 -0.72 0.00 0.00 41.12 40.79 1wee n ASP 13 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1wee h ASN 14 N -0.08 -1.83 -1.95 1.67 -1.07 -2.03 -3.42 115.58 106.87 1wee h ASN 14 Ca -0.08 0.29 -0.59 0.00 0.07 0.00 0.00 56.30 55.99 1wee h ASN 14 Cb 1.08 0.82 -0.13 0.00 -2.07 0.00 0.00 38.32 38.02 1wee h ASN 14 CO -0.04 -0.29 -0.58 -1.66 0.07 0.00 0.00 177.43 174.93 1wee s TRP 15 N -5.69 2.21 -0.28 4.14 -2.14 -1.26 -5.13 118.94 110.80 1wee s TRP 15 Ca -0.13 -0.84 -0.01 0.00 2.66 0.00 0.00 56.10 57.78 1wee s TRP 15 Cb 0.13 -1.58 0.04 0.00 -3.10 0.00 0.00 33.47 28.96 1wee s TRP 15 CO 0.65 0.24 -0.04 0.15 -2.66 0.00 0.00 176.95 175.29 1wee s LYS 16 N -3.79 2.57 -0.71 3.25 1.02 -1.26 -4.82 119.74 116.01 1wee s LYS 16 Ca 0.29 -1.16 0.04 0.00 0.02 0.00 0.00 55.97 55.17 1wee s LYS 16 Cb 0.08 -3.07 0.25 0.00 -0.52 0.00 0.00 37.83 34.57 1wee s LYS 16 CO 0.14 -0.53 0.82 1.33 -0.92 0.00 0.00 175.35 176.20 1wee n VAL 17 N 4.62 2.71 -3.63 3.17 0.24 -1.26 -1.22 118.33 122.97 1wee n VAL 17 Ca -0.15 -5.29 -0.39 0.00 -2.04 0.00 0.00 64.34 56.48 1wee n VAL 17 Cb 0.45 -2.11 -0.11 0.00 -1.47 0.00 0.00 33.84 30.59 1wee n VAL 17 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1wee s ASP 18 N -2.27 5.69 0.14 -1.34 1.47 -1.26 -4.34 116.67 114.76 1wee s ASP 18 Ca 0.37 -0.43 0.04 0.00 1.18 0.00 0.00 52.55 53.72 1wee s ASP 18 Cb 0.12 -2.04 -0.04 0.00 -0.34 0.00 0.00 42.92 40.61 1wee s ASP 18 CO -0.01 -0.18 -0.10 0.00 0.68 0.00 0.00 175.17 175.56 1wee h LYS 20 N 2.88 0.00 -0.58 0.00 2.10 -1.97 -1.72 116.57 117.28 1wee h LYS 20 Ca -0.37 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.28 1wee h LYS 20 Cb 1.19 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.49 1wee h LYS 20 CO 0.62 0.00 0.33 0.00 -2.00 0.00 0.00 179.45 178.41 1wee n GLY 22 N -1.09 1.77 3.66 0.00 0.00 -0.65 -5.10 105.19 103.78 1wee n GLY 22 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 4.79 -0.06 2.61 2.01 -1.26 -4.93 115.64 116.80 1wee s THR 23 Ca 0.00 1.78 -0.05 0.00 0.31 0.00 0.00 61.69 63.73 1wee s THR 23 Cb 0.00 -4.20 -0.27 0.00 0.01 0.00 0.00 72.50 68.03 1wee s THR 23 CO 0.00 -0.09 0.60 0.07 -0.69 0.00 0.00 174.62 174.52 1wee h LYS 24 N 7.49 0.27 -4.97 4.92 2.10 -1.98 -3.39 116.57 121.01 1wee h LYS 24 Ca -0.23 -0.45 -0.45 0.00 -2.00 0.00 0.00 60.65 57.51 1wee h LYS 24 Cb 1.09 0.17 -0.14 0.00 -0.90 0.00 0.00 32.23 32.45 1wee h LYS 24 CO 0.90 1.13 -0.56 -0.51 -2.00 0.00 0.00 179.45 178.42 1wee s ASP 25 N -6.98 1.94 -0.62 7.07 1.01 -1.26 -4.21 116.67 113.62 1wee s ASP 25 Ca -0.15 -1.55 -0.26 0.00 0.71 0.00 0.00 52.55 51.30 1wee s ASP 25 Cb 0.06 0.34 -0.10 0.00 1.01 0.00 0.00 42.92 44.23 1wee s ASP 25 CO 0.82 -0.85 2.43 -0.67 0.21 0.00 0.00 175.17 177.11 1wee n ASP 26 N -0.97 1.99 0.27 0.27 2.03 -1.26 -4.82 116.55 114.06 1wee n ASP 26 Ca -0.01 -0.79 -0.11 0.00 0.52 0.00 0.00 54.79 54.40 1wee n ASP 26 Cb 0.65 -1.56 -0.05 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 17.00 -0.59 0.00 1.67 1.82 -1.97 -3.48 116.42 130.87 1wee h ASP 27 Ca -0.15 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.51 1wee h ASP 27 Cb 1.19 0.15 0.00 0.00 0.68 0.00 0.00 39.33 41.35 1wee h ASP 27 CO 1.13 -0.32 0.00 0.61 -1.61 0.00 0.00 179.24 179.05 1wee n GLY 28 N -0.52 0.00 3.75 -0.78 0.00 -1.26 -5.14 105.19 101.24 1wee n GLY 28 Ca -0.09 -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 -0.18 4.74 0.79 1.61 0.41 -1.26 -5.02 118.70 119.79 1wee s GLU 29 Ca 0.00 1.65 -0.12 0.00 -0.41 0.00 0.00 54.97 56.09 1wee s GLU 29 Cb 0.00 -3.23 0.07 0.00 -1.78 0.00 0.00 34.13 29.20 1wee s GLU 29 CO 0.00 0.36 1.14 0.50 -0.49 0.00 0.00 175.26 176.77 1wee s ARG 30 N -1.33 1.90 0.33 1.61 3.52 -1.26 -4.98 118.95 118.74 1wee s ARG 30 Ca 0.43 1.48 0.07 0.00 -0.13 0.00 0.00 55.73 57.57 1wee s ARG 30 Cb -0.29 -1.83 -0.03 0.00 -1.56 0.00 0.00 34.95 31.24 1wee s ARG 30 CO 0.37 -1.96 0.29 -1.64 -0.81 0.00 0.00 175.30 171.55 1wee s MET 31 N -4.45 1.76 -0.04 5.12 -1.94 -1.26 -3.50 119.30 114.99 1wee s MET 31 Ca 0.67 -2.00 -0.03 0.00 -1.71 0.00 0.00 55.69 52.62 1wee s MET 31 Cb -0.23 0.33 0.02 0.00 2.01 0.00 0.00 34.83 36.97 1wee s MET 31 CO 0.52 -0.66 0.10 -0.48 -0.01 0.00 0.00 175.02 174.49 1wee s LEU 32 N -3.36 1.26 0.23 -0.03 2.34 -1.09 -4.86 118.68 113.18 1wee s LEU 32 Ca 0.40 0.20 -0.30 0.00 0.06 0.00 0.00 54.13 54.50 1wee s LEU 32 Cb 0.02 0.28 -0.09 0.00 -0.56 0.00 0.00 46.19 45.84 1wee s LEU 32 CO 0.27 -0.08 1.15 0.00 -1.06 0.00 0.00 176.35 176.63 1wee s ALA 33 N 0.56 3.42 -0.42 1.48 0.00 -1.26 -2.50 121.76 123.04 1wee s ALA 33 Ca -0.04 0.93 -0.27 0.00 0.00 0.00 0.00 51.96 52.58 1wee s ALA 33 Cb -0.06 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.71 1wee s ALA 33 CO -0.02 -0.27 1.00 0.00 0.00 0.00 0.00 175.76 176.46 1wee h ASP 35 N 8.81 0.46 0.00 0.00 1.82 -1.82 0.96 116.42 126.65 1wee h ASP 35 Ca -0.23 0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 1wee h ASP 35 Cb 1.07 0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.15 1wee h ASP 35 CO 1.04 -0.02 0.00 0.61 -1.61 0.00 0.00 179.24 179.26 1wee n GLY 36 N -1.41 -3.00 0.12 -0.78 0.00 -1.26 -4.47 105.19 94.38 1wee n GLY 36 Ca 0.29 0.19 -0.23 0.00 0.00 0.00 0.00 46.02 46.27 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 1.47 0.94 3.32 0.00 0.00 0.33 -4.97 105.19 106.28 1wee n GLY 38 Ca -0.37 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.81 2.19 0.59 1.61 1.01 -1.25 -4.63 120.40 119.10 1wee s VAL 39 Ca 0.00 -1.05 -0.16 0.00 0.00 0.00 0.00 61.98 60.77 1wee s VAL 39 Cb 0.00 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1wee s VAL 39 CO 0.00 0.58 1.06 0.26 0.00 0.00 0.00 175.10 177.00 1wee s TRP 40 N -0.50 2.96 -0.18 5.22 0.52 -0.36 -1.31 118.94 125.29 1wee s TRP 40 Ca 0.06 1.52 -0.19 0.00 0.02 0.00 0.00 56.10 57.51 1wee s TRP 40 Cb -0.11 -3.03 0.05 0.00 -1.15 0.00 0.00 33.47 29.23 1wee s TRP 40 CO 0.00 -1.13 0.53 -1.01 0.02 0.00 0.00 176.95 175.36 1wee s HIS 41 N -2.39 -0.57 -0.42 -1.98 3.76 -1.04 -4.11 115.29 108.53 1wee s HIS 41 Ca 0.64 1.36 -0.30 0.00 -0.15 0.00 0.00 55.06 56.62 1wee s HIS 41 Cb -0.16 0.21 -0.09 0.00 1.11 0.00 0.00 32.58 33.64 1wee s HIS 41 CO 0.36 -0.31 2.33 0.72 -0.85 0.00 0.00 174.74 176.99 1wee n HIS 42 N 2.60 1.55 -0.33 1.40 8.25 -1.26 -2.67 115.22 124.76 1wee n HIS 42 Ca -0.14 0.12 0.24 0.00 -0.26 0.00 0.00 57.72 57.67 1wee n HIS 42 Cb 0.56 -2.61 0.47 0.00 1.12 0.00 0.00 29.99 29.53 1wee n HIS 42 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1wee h THR 43 N 7.41 0.26 -0.12 1.59 1.35 -1.88 0.27 112.91 121.79 1wee h THR 43 Ca -0.28 -0.09 -0.03 0.00 -0.55 0.00 0.00 66.41 65.45 1wee h THR 43 Cb 1.28 -0.04 -0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1wee h THR 43 CO 1.09 0.05 -0.06 0.08 -0.25 0.00 0.00 175.52 176.43 1wee h ARG 44 N 0.27 0.26 0.26 4.72 0.11 -1.83 0.16 114.38 118.34 1wee h ARG 44 Ca 0.73 -0.11 0.01 0.00 0.10 0.00 0.00 59.98 60.71 1wee h ARG 44 Cb 1.69 -0.01 -0.03 0.00 1.11 0.00 0.00 29.97 32.73 1wee h ARG 44 CO -0.63 0.60 -0.39 0.00 0.10 0.00 0.00 179.97 179.64 1wee h ILE 46 N -0.72 0.49 0.00 0.00 3.07 -1.24 -3.46 117.51 115.66 1wee h ILE 46 Ca -0.01 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.40 1wee h ILE 46 Cb 0.68 0.79 0.00 0.00 -0.27 0.00 0.00 36.82 38.02 1wee h ILE 46 CO -0.14 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.57 1wee n GLY 47 N -1.45 3.28 1.62 0.16 0.00 -0.33 -5.07 105.19 103.40 1wee n GLY 47 Ca 0.04 -0.50 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 1wee n GLY 47 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wee n ILE 48 N 0.00 0.00 -1.31 -0.61 2.08 0.54 -4.72 119.36 115.34 1wee n ILE 48 Ca 0.00 -0.06 -0.29 0.00 0.56 0.00 0.00 62.75 62.96 1wee n ILE 48 Cb 0.00 -0.17 0.19 0.00 -0.75 0.00 0.00 39.64 38.90 1wee n ILE 48 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 1wee s ASN 49 N 3.14 2.36 0.43 4.38 0.01 -1.26 -3.14 114.94 120.86 1wee s ASN 49 Ca 0.62 0.86 0.11 0.00 -0.71 0.00 0.00 52.86 53.74 1wee s ASN 49 Cb -0.54 -1.32 0.97 0.00 0.41 0.00 0.00 41.25 40.77 1wee s ASN 49 CO 0.24 -3.26 2.04 -1.13 -1.51 0.00 0.00 177.10 173.48 1wee h ASN 50 N -1.98 0.38 0.10 -1.22 -1.24 -1.97 -2.99 115.58 106.65 1wee h ASN 50 Ca -0.50 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.50 1wee h ASN 50 Cb 1.31 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.28 1wee h ASN 50 CO 0.50 0.26 -0.05 0.00 -1.29 0.00 0.00 177.43 176.85 1wee h ALA 51 N 1.76 -0.14 -1.45 1.57 0.00 -1.98 -3.46 119.26 115.55 1wee h ALA 51 Ca 0.18 -0.20 -0.44 0.00 0.00 0.00 0.00 54.91 54.44 1wee h ALA 51 Cb 0.16 0.05 0.23 0.00 0.00 0.00 0.00 17.79 18.23 1wee h ALA 51 CO -0.04 -0.16 -1.51 -3.47 0.00 0.00 0.00 179.25 174.07 1wee n ASP 52 N -4.83 -2.60 -4.61 0.00 2.03 -1.13 -5.03 116.55 100.38 1wee n ASP 52 Ca -0.06 -0.12 -0.29 0.00 0.52 0.00 0.00 54.79 54.85 1wee n ASP 52 Cb 0.22 -0.80 -0.09 0.00 -0.72 0.00 0.00 41.12 39.73 1wee n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wee s ALA 53 N -2.15 3.40 -0.16 -1.67 0.00 -1.26 -4.75 121.76 115.18 1wee s ALA 53 Ca 0.48 -1.47 -0.29 0.00 0.00 0.00 0.00 51.96 50.68 1wee s ALA 53 Cb -0.04 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 1wee s ALA 53 CO 0.63 -0.12 1.08 -0.51 0.00 0.00 0.00 175.76 176.84 1wee s LEU 54 N -3.74 4.18 0.79 0.00 1.43 -1.26 -4.96 118.68 115.12 1wee s LEU 54 Ca 0.23 1.53 -0.11 0.00 -1.03 0.00 0.00 54.13 54.76 1wee s LEU 54 Cb 0.06 -3.55 0.07 0.00 0.03 0.00 0.00 46.19 42.80 1wee s LEU 54 CO 0.12 -0.60 1.09 -2.16 0.23 0.00 0.00 176.35 175.03 1wee s PRO 55 N 2.71 2.13 0.14 1.29 0.04 -1.26 -4.97 135.00 135.07 1wee s PRO 55 Ca 0.49 1.12 -0.12 0.00 0.04 0.00 0.00 61.00 62.53 1wee s PRO 55 Cb -0.18 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1wee s PRO 55 CO 0.13 -1.72 1.48 1.03 0.04 0.00 0.00 177.00 177.96 1wee h SER 56 N -1.18 0.95 -3.50 6.66 0.87 -2.02 -3.43 113.55 111.89 1wee h SER 56 Ca -0.44 -0.45 -0.42 0.00 -1.23 0.00 0.00 61.79 59.25 1wee h SER 56 Cb 1.24 -0.26 -0.33 0.00 -0.44 0.00 0.00 62.40 62.60 1wee h SER 56 CO 0.52 1.20 -0.78 -1.59 -0.53 0.00 0.00 176.83 175.64 1wee s LYS 57 N -4.46 0.95 -0.04 2.24 -2.85 -1.26 -4.96 119.74 109.37 1wee s LYS 57 Ca -0.11 -0.17 0.02 0.00 -1.00 0.00 0.00 55.97 54.70 1wee s LYS 57 Cb 0.11 -0.90 0.01 0.00 -2.06 0.00 0.00 37.83 34.98 1wee s LYS 57 CO 0.87 -0.04 -0.08 0.12 0.10 0.00 0.00 175.35 176.32 1wee s PHE 58 N 0.76 0.98 -0.16 1.78 5.36 -1.26 -5.00 117.98 120.43 1wee s PHE 58 Ca -0.11 -0.28 0.00 0.00 -0.96 0.00 0.00 56.93 55.58 1wee s PHE 58 Cb -0.14 -0.74 -0.00 0.00 -0.34 0.00 0.00 43.02 41.79 1wee s PHE 58 CO 0.01 -0.16 -0.15 -0.51 -1.46 0.00 0.00 175.22 172.95 1wee s LEU 59 N 0.52 2.52 0.48 6.12 1.02 -1.26 -2.31 118.68 125.77 1wee s LEU 59 Ca -0.08 -0.45 -0.22 0.00 0.02 0.00 0.00 54.13 53.39 1wee s LEU 59 Cb -0.12 -1.57 -0.07 0.00 0.02 0.00 0.00 46.19 44.45 1wee s LEU 59 CO 0.01 0.09 1.16 0.00 0.02 0.00 0.00 176.35 177.63 1wee n PHE 61 N -0.69 0.66 0.17 0.00 -1.74 -1.26 0.15 117.46 114.75 1wee n PHE 61 Ca 0.08 0.66 -0.14 0.00 -0.56 0.00 0.00 57.45 57.50 1wee n PHE 61 Cb 0.49 -1.08 -0.08 0.00 1.52 0.00 0.00 39.48 40.33 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 -0.42 -0.90 3.97 9.65 -2.02 -3.08 114.38 121.58 1wee h ARG 62 Ca 0.60 0.03 0.12 0.00 -1.10 0.00 0.00 59.98 59.63 1wee h ARG 62 Cb 1.76 0.10 -0.07 0.00 -1.39 0.00 0.00 29.97 30.37 1wee h ARG 62 CO -0.43 -0.12 0.58 0.00 2.80 0.00 0.00 179.97 182.79 1wee n ILE 64 N -4.56 -0.36 -0.09 0.00 2.08 -0.51 0.81 119.36 116.72 1wee n ILE 64 Ca 0.17 1.80 -0.23 0.00 0.56 0.00 0.00 62.75 65.05 1wee n ILE 64 Cb 0.39 -2.45 -0.12 0.00 -0.75 0.00 0.00 39.64 36.71 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 -5.22 0.64 0.20 0.38 1.02 -0.97 -4.17 120.64 112.53 1wee n GLU 65 Ca 0.11 0.30 0.09 0.00 -0.02 0.00 0.00 57.16 57.63 1wee n GLU 65 Cb 0.36 -1.61 0.48 0.00 -0.02 0.00 0.00 31.44 30.65 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 -0.45 0.00 -8.46 -4.62 6.46 -0.42 -3.38 115.31 104.45 1wee h LEU 66 Ca -0.53 0.00 -0.54 0.00 -0.12 0.00 0.00 57.88 56.69 1wee h LEU 66 Cb 1.74 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 41.60 1wee h LEU 66 CO -0.16 0.00 1.07 -0.55 -0.62 0.00 0.00 178.44 178.18 1wee s SER 67 N -3.69 6.15 0.00 1.25 0.15 0.24 -4.20 113.70 113.60 1wee s SER 67 Ca -0.02 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.48 1wee s SER 67 Cb 0.05 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1wee s SER 67 CO 0.16 -1.78 0.00 0.61 1.20 0.00 0.00 173.24 173.43 1wee n GLY 68 N 5.31 -1.79 0.00 9.45 0.00 -1.26 -4.94 105.19 111.97 1wee n GLY 68 Ca 0.07 0.60 0.07 0.00 0.00 0.00 0.00 46.02 46.77 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 0.27 -2.81 1.61 -0.04 -1.26 -4.69 135.00 128.08 1wee n PRO 69 Ca 0.00 0.11 -0.42 0.00 -0.04 0.00 0.00 63.50 63.15 1wee n PRO 69 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1wee n PRO 69 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wee s SER 70 N -2.44 6.98 -0.27 3.54 0.15 -1.26 -5.03 113.70 115.37 1wee s SER 70 Ca 0.16 1.21 0.01 0.00 0.70 0.00 0.00 55.95 58.03 1wee s SER 70 Cb 0.10 -2.48 0.05 0.00 -1.71 0.00 0.00 66.02 61.98 1wee s SER 70 CO 0.21 -0.52 -0.07 -0.94 1.20 0.00 0.00 173.24 173.13 1wee s SER 71 N 1.23 4.56 0.00 5.45 1.04 -1.26 -5.06 113.70 119.65 1wee s SER 71 Ca 0.39 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1wee s SER 71 Cb -0.16 -1.62 0.00 0.00 0.10 0.00 0.00 66.02 64.34 1wee s SER 71 CO 0.09 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.72