#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 0.63 0.57 1.61 0.01 -1.26 -5.17 113.70 110.09 1wee s SER 2 Ca 0.00 -0.98 0.08 0.00 1.31 0.00 0.00 55.95 56.36 1wee s SER 2 Cb 0.00 0.17 0.08 0.00 0.21 0.00 0.00 66.02 66.48 1wee s SER 2 CO 0.00 -0.56 0.78 -0.94 0.41 0.00 0.00 173.24 172.93 1wee s SER 3 N -2.90 5.10 0.00 2.44 1.04 -1.26 -5.14 113.70 112.99 1wee s SER 3 Ca 0.07 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.77 1wee s SER 3 Cb 0.07 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1wee s SER 3 CO -0.09 -1.31 0.00 0.61 0.98 0.00 0.00 173.24 173.43 1wee n GLY 4 N -2.25 4.85 3.06 7.32 0.00 -1.26 -5.17 105.19 111.74 1wee n GLY 4 Ca 0.14 -1.27 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 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 1.17 -0.14 0.03 1.61 0.15 -1.26 -5.16 113.70 110.11 1wee s SER 5 Ca 0.00 0.57 -0.00 0.00 0.70 0.00 0.00 55.95 57.22 1wee s SER 5 Cb 0.00 0.51 -0.03 0.00 -1.71 0.00 0.00 66.02 64.79 1wee s SER 5 CO 0.00 -0.19 -0.03 -0.44 1.20 0.00 0.00 173.24 173.78 1wee s SER 6 N 1.55 0.33 0.00 5.45 0.01 -1.26 -5.14 113.70 114.64 1wee s SER 6 Ca -0.07 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.54 1wee s SER 6 Cb -0.11 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.25 1wee s SER 6 CO -0.09 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.78 1wee n GLY 7 N 1.14 3.65 3.46 3.44 0.00 -1.26 -5.12 105.19 110.50 1wee n GLY 7 Ca -0.21 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 1wee n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wee s MET 8 N -3.19 1.66 -0.23 1.61 1.00 -1.26 -5.10 119.30 113.79 1wee s MET 8 Ca 0.00 -1.29 -0.27 0.00 0.00 0.00 0.00 55.69 54.13 1wee s MET 8 Cb 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 34.83 32.82 1wee s MET 8 CO 0.00 0.46 0.96 -2.00 0.00 0.00 0.00 175.02 174.44 1wee s GLU 9 N -2.25 4.24 0.44 2.03 -6.30 -1.26 -5.02 118.70 110.58 1wee s GLU 9 Ca 0.18 1.20 -0.24 0.00 -2.50 0.00 0.00 54.97 53.61 1wee s GLU 9 Cb -0.10 -3.64 -0.08 0.00 0.00 0.00 0.00 34.13 30.32 1wee s GLU 9 CO 0.09 -0.58 1.27 -0.98 0.02 0.00 0.00 175.26 175.09 1wee s ARG 10 N 3.02 3.78 0.00 4.30 1.70 -1.26 -4.92 118.95 125.57 1wee s ARG 10 Ca 0.41 2.07 0.00 0.00 -0.47 0.00 0.00 55.73 57.73 1wee s ARG 10 Cb -0.15 -2.58 0.00 0.00 -0.57 0.00 0.00 34.95 31.64 1wee s ARG 10 CO 0.07 -0.62 0.00 0.41 -1.08 0.00 0.00 175.30 174.08 1wee n GLY 11 N 0.62 -0.10 3.75 3.88 0.00 -1.26 -5.11 105.19 106.98 1wee n GLY 11 Ca 0.06 -1.70 -0.40 0.00 0.00 0.00 0.00 46.02 43.98 1wee n GLY 11 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wee s VAL 12 N -1.90 3.97 -0.25 1.61 -7.23 -1.26 -4.98 120.40 110.35 1wee s VAL 12 Ca 0.00 1.92 -0.16 0.00 -1.81 0.00 0.00 61.98 61.94 1wee s VAL 12 Cb 0.00 -4.22 -0.15 0.00 0.56 0.00 0.00 36.38 32.57 1wee s VAL 12 CO 0.00 0.43 -0.16 -0.67 -0.31 0.00 0.00 175.10 174.40 1wee n ASP 13 N 1.62 1.93 0.06 4.85 -0.08 -1.26 -4.94 116.55 118.74 1wee n ASP 13 Ca -0.01 0.34 0.00 0.00 -1.51 0.00 0.00 54.79 53.61 1wee n ASP 13 Cb 0.47 -0.85 0.00 0.00 2.34 0.00 0.00 41.12 43.08 1wee n ASP 13 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1wee n ASN 14 N -4.25 0.31 -4.42 1.67 4.13 -1.26 -5.02 115.26 106.42 1wee n ASN 14 Ca -0.47 0.21 -0.41 0.00 1.68 0.00 0.00 54.58 55.59 1wee n ASN 14 Cb 0.83 0.03 -0.15 0.00 -1.54 0.00 0.00 39.78 38.95 1wee n ASN 14 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 1wee n TRP 15 N -3.23 0.56 -2.02 3.10 8.01 -1.26 -4.73 117.44 117.88 1wee n TRP 15 Ca 0.00 0.38 -0.26 0.00 -1.31 0.00 0.00 57.50 56.31 1wee n TRP 15 Cb 0.09 -2.34 -0.06 0.00 -2.01 0.00 0.00 31.31 26.99 1wee n TRP 15 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 1wee s LYS 16 N 8.79 2.40 0.38 -0.99 1.02 -1.26 -4.70 119.74 125.38 1wee s LYS 16 Ca 1.33 -0.77 0.27 0.00 0.02 0.00 0.00 55.97 56.83 1wee s LYS 16 Cb -1.24 -5.15 0.95 0.00 -0.52 0.00 0.00 37.83 31.87 1wee s LYS 16 CO 0.49 -3.89 1.79 -0.39 -0.92 0.00 0.00 175.35 172.43 1wee h VAL 17 N 6.63 0.00 -0.72 3.17 -1.51 -1.85 -1.74 116.25 120.24 1wee h VAL 17 Ca 0.16 -0.52 -0.48 0.00 -1.23 0.00 0.00 66.70 64.63 1wee h VAL 17 Cb 0.97 1.44 -0.05 0.00 -2.13 0.00 0.00 31.29 31.52 1wee h VAL 17 CO 1.20 0.00 1.70 0.47 -1.23 0.00 0.00 177.57 179.71 1wee n ASP 18 N -2.69 1.19 -4.93 4.19 9.92 -1.12 -4.57 116.55 118.55 1wee n ASP 18 Ca 0.03 -0.15 -0.25 0.00 -0.53 0.00 0.00 54.79 53.89 1wee n ASP 18 Cb 0.35 -1.22 -0.00 0.00 -0.64 0.00 0.00 41.12 39.61 1wee n ASP 18 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wee h LYS 20 N 0.43 0.16 -0.11 0.00 2.10 -1.91 0.15 116.57 117.38 1wee h LYS 20 Ca -0.48 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1wee h LYS 20 Cb 1.22 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 1wee h LYS 20 CO 0.61 0.10 0.07 0.00 -2.00 0.00 0.00 179.45 178.23 1wee n GLY 22 N -0.99 0.99 3.26 0.00 0.00 0.52 -5.11 105.19 103.85 1wee n GLY 22 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.05 4.57 -0.32 2.61 2.01 -1.25 -4.90 115.64 117.30 1wee s THR 23 Ca 0.00 -1.63 0.02 0.00 0.31 0.00 0.00 61.69 60.39 1wee s THR 23 Cb 0.00 -3.95 0.43 0.00 0.01 0.00 0.00 72.50 68.99 1wee s THR 23 CO 0.00 -0.77 1.68 2.29 -0.69 0.00 0.00 174.62 177.13 1wee n LYS 24 N 5.03 1.88 -4.02 4.92 0.00 -1.26 -2.80 118.16 121.91 1wee n LYS 24 Ca -0.10 -2.05 -0.11 0.00 -0.00 0.00 0.00 58.31 56.05 1wee n LYS 24 Cb 0.41 -1.80 -0.05 0.00 -0.00 0.00 0.00 35.03 33.59 1wee n LYS 24 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1wee s ASP 25 N -0.55 0.20 -0.43 -5.58 2.15 -1.26 -4.71 116.67 106.49 1wee s ASP 25 Ca 0.39 -1.12 -0.05 0.00 0.43 0.00 0.00 52.55 52.20 1wee s ASP 25 Cb 0.33 0.62 0.11 0.00 -0.30 0.00 0.00 42.92 43.67 1wee s ASP 25 CO 0.06 -1.21 0.25 1.51 -0.17 0.00 0.00 175.17 175.61 1wee s ASP 26 N -3.09 5.40 0.00 -0.34 1.47 -1.26 -4.89 116.67 113.96 1wee s ASP 26 Ca 0.25 -1.98 0.00 0.00 1.18 0.00 0.00 52.55 52.00 1wee s ASP 26 Cb -0.00 -1.89 0.00 0.00 -0.34 0.00 0.00 42.92 40.69 1wee s ASP 26 CO 0.12 -0.59 0.99 -0.67 0.68 0.00 0.00 175.17 175.70 1wee n ASP 27 N 4.70 0.00 0.00 2.11 2.03 -1.26 -4.82 116.55 119.31 1wee n ASP 27 Ca -0.04 -1.98 0.00 0.00 0.52 0.00 0.00 54.79 53.29 1wee n ASP 27 Cb 0.41 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 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 0.49 0.39 3.75 0.27 0.00 -1.26 -5.04 105.19 103.78 1wee n GLY 28 Ca 0.00 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.90 3.47 0.04 1.61 0.41 -1.26 -5.04 118.70 115.03 1wee s GLU 29 Ca 0.00 -0.28 -0.38 0.00 -0.41 0.00 0.00 54.97 53.90 1wee s GLU 29 Cb 0.00 -3.08 -0.19 0.00 -1.78 0.00 0.00 34.13 29.08 1wee s GLU 29 CO 0.00 0.60 1.11 -2.13 -0.49 0.00 0.00 175.26 174.35 1wee n ARG 30 N 2.51 0.33 -4.12 1.61 0.63 -1.26 -4.95 116.66 111.41 1wee n ARG 30 Ca -0.18 0.12 -0.14 0.00 -0.92 0.00 0.00 57.85 56.73 1wee n ARG 30 Cb 0.54 -1.62 -0.06 0.00 0.45 0.00 0.00 32.46 31.76 1wee n ARG 30 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1wee s MET 31 N 0.04 1.67 -0.24 -0.14 -1.94 -1.26 -3.17 119.30 114.26 1wee s MET 31 Ca 0.87 -1.67 -0.16 0.00 -1.71 0.00 0.00 55.69 53.02 1wee s MET 31 Cb -1.16 0.39 0.07 0.00 2.01 0.00 0.00 34.83 36.15 1wee s MET 31 CO 0.54 -0.66 0.60 -0.48 -0.01 0.00 0.00 175.02 175.01 1wee s LEU 32 N -3.20 -0.53 0.27 -0.03 2.34 -1.07 -4.89 118.68 111.58 1wee s LEU 32 Ca 0.32 1.27 -0.29 0.00 0.06 0.00 0.00 54.13 55.50 1wee s LEU 32 Cb 0.02 2.04 -0.09 0.00 -0.56 0.00 0.00 46.19 47.59 1wee s LEU 32 CO 0.17 -0.22 0.96 0.00 -1.06 0.00 0.00 176.35 176.20 1wee s ALA 33 N 1.10 3.30 -0.17 1.48 0.00 -1.26 -1.67 121.76 124.55 1wee s ALA 33 Ca -0.06 0.62 -0.29 0.00 0.00 0.00 0.00 51.96 52.23 1wee s ALA 33 Cb -0.05 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 1wee s ALA 33 CO -0.11 0.15 1.59 0.00 0.00 0.00 0.00 175.76 177.39 1wee h ASP 35 N 10.12 0.27 0.00 0.00 3.58 -1.90 -1.07 116.42 127.42 1wee h ASP 35 Ca -0.34 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.20 1wee h ASP 35 Cb 1.16 0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1wee h ASP 35 CO 0.98 -0.07 0.00 0.61 -2.88 0.00 0.00 179.24 177.88 1wee n GLY 36 N -1.55 1.15 0.00 -0.78 0.00 -1.26 -4.74 105.19 98.01 1wee n GLY 36 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.97 0.63 3.31 0.00 0.00 -0.41 -4.94 105.19 102.81 1wee n GLY 38 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.55 2.40 -0.09 1.61 1.01 -1.26 -4.17 120.40 119.36 1wee s VAL 39 Ca 0.00 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 1wee s VAL 39 Cb 0.00 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1wee s VAL 39 CO 0.00 0.56 1.01 0.26 0.00 0.00 0.00 175.10 176.93 1wee s TRP 40 N -0.01 3.52 0.17 5.22 0.52 -0.65 -1.43 118.94 126.27 1wee s TRP 40 Ca -0.07 1.59 0.11 0.00 0.02 0.00 0.00 56.10 57.75 1wee s TRP 40 Cb -0.15 -3.19 -0.04 0.00 -1.15 0.00 0.00 33.47 28.94 1wee s TRP 40 CO 0.05 -0.25 -0.25 -1.01 0.02 0.00 0.00 176.95 175.51 1wee s HIS 41 N 1.90 2.30 -0.61 -1.98 3.76 -0.67 -4.21 115.29 115.77 1wee s HIS 41 Ca 0.49 -0.37 -0.26 0.00 -0.15 0.00 0.00 55.06 54.77 1wee s HIS 41 Cb -0.19 -1.18 -0.02 0.00 1.11 0.00 0.00 32.58 32.30 1wee s HIS 41 CO 0.19 0.43 1.90 -1.01 -0.85 0.00 0.00 174.74 175.40 1wee s HIS 42 N -1.43 1.63 0.51 1.40 3.76 -1.26 -2.61 115.29 117.29 1wee s HIS 42 Ca 0.18 0.83 0.45 0.00 -0.15 0.00 0.00 55.06 56.37 1wee s HIS 42 Cb -0.09 -4.06 1.61 0.00 1.11 0.00 0.00 32.58 31.15 1wee s HIS 42 CO 0.08 -2.30 1.47 0.25 -0.85 0.00 0.00 174.74 173.39 1wee n THR 43 N 7.28 -0.03 0.08 1.30 -2.24 -1.19 -0.25 114.28 119.22 1wee n THR 43 Ca 0.22 1.45 -0.04 0.00 -2.27 0.00 0.00 64.05 63.40 1wee n THR 43 Cb 0.52 -2.41 -0.02 0.00 -2.10 0.00 0.00 70.33 66.32 1wee n THR 43 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1wee h ARG 44 N 0.00 -0.28 -1.14 -0.78 2.43 -1.62 1.08 114.38 114.07 1wee h ARG 44 Ca 0.88 0.02 0.32 0.00 -0.81 0.00 0.00 59.98 60.39 1wee h ARG 44 Cb 3.46 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 32.98 1wee h ARG 44 CO -0.07 -0.19 0.76 0.00 -1.51 0.00 0.00 179.97 178.96 1wee h ILE 46 N 0.24 1.62 0.00 0.00 3.07 -1.29 -3.49 117.51 117.66 1wee h ILE 46 Ca 0.64 -3.16 0.00 0.00 1.55 0.00 0.00 64.86 63.89 1wee h ILE 46 Cb 1.93 2.79 0.00 0.00 -0.27 0.00 0.00 36.82 41.27 1wee h ILE 46 CO -0.25 0.91 0.00 0.61 -1.05 0.00 0.00 178.15 178.37 1wee n GLY 47 N 1.29 2.64 3.52 0.16 0.00 0.23 -5.09 105.19 107.95 1wee n GLY 47 Ca -0.03 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 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 0.01 -1.88 -0.61 5.41 0.37 -4.72 119.36 117.94 1wee n ILE 48 Ca 0.00 -0.50 -0.24 0.00 1.00 0.00 0.00 62.75 63.01 1wee n ILE 48 Cb 0.00 -2.06 0.16 0.00 -0.71 0.00 0.00 39.64 37.03 1wee n ILE 48 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1wee n ASN 49 N 13.40 0.22 -0.26 4.38 4.13 -1.26 -1.80 115.26 134.08 1wee n ASN 49 Ca 0.44 -1.48 -0.01 0.00 1.68 0.00 0.00 54.58 55.22 1wee n ASN 49 Cb 0.37 -0.81 0.11 0.00 -1.54 0.00 0.00 39.78 37.91 1wee n ASN 49 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 1wee h ASN 50 N -1.34 0.64 0.00 6.41 2.35 -1.95 -3.20 115.58 118.50 1wee h ASN 50 Ca -0.35 0.03 -0.71 0.00 -0.55 0.00 0.00 56.30 54.72 1wee h ASN 50 Cb 1.00 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 39.23 1wee h ASN 50 CO 0.26 0.41 3.16 0.00 -1.65 0.00 0.00 177.43 179.62 1wee n ALA 51 N -2.35 5.62 -3.67 -0.83 0.00 -1.26 -4.82 120.51 113.20 1wee n ALA 51 Ca 0.10 -3.85 0.00 0.00 0.00 0.00 0.00 53.44 49.69 1wee n ALA 51 Cb 0.18 -3.53 -0.01 0.00 0.00 0.00 0.00 19.45 16.09 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 3.17 -0.09 0.38 0.00 2.15 -1.21 -5.14 116.67 115.94 1wee s ASP 52 Ca 0.48 -0.22 0.08 0.00 0.43 0.00 0.00 52.55 53.32 1wee s ASP 52 Cb 0.14 0.26 -0.05 0.00 -0.30 0.00 0.00 42.92 42.97 1wee s ASP 52 CO -0.08 -0.48 0.16 0.00 -0.17 0.00 0.00 175.17 174.60 1wee s ALA 53 N -2.65 3.55 -0.11 3.66 0.00 -1.26 -4.99 121.76 119.96 1wee s ALA 53 Ca 0.14 -2.00 -0.21 0.00 0.00 0.00 0.00 51.96 49.90 1wee s ALA 53 Cb 0.03 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1wee s ALA 53 CO -0.02 -0.09 0.59 -0.51 0.00 0.00 0.00 175.76 175.73 1wee s LEU 54 N -3.88 4.27 0.51 0.00 1.43 -1.26 -5.05 118.68 114.70 1wee s LEU 54 Ca 0.40 0.96 -0.21 0.00 -1.03 0.00 0.00 54.13 54.25 1wee s LEU 54 Cb 0.01 -2.87 -0.06 0.00 0.03 0.00 0.00 46.19 43.29 1wee s LEU 54 CO 0.23 -0.09 1.14 -2.16 0.23 0.00 0.00 176.35 175.70 1wee s PRO 55 N 0.91 3.50 0.24 1.29 0.04 -1.26 -4.94 135.00 134.78 1wee s PRO 55 Ca 0.31 1.67 -0.05 0.00 0.04 0.00 0.00 61.00 62.96 1wee s PRO 55 Cb -0.16 -2.15 0.36 0.00 0.04 0.00 0.00 34.50 32.59 1wee s PRO 55 CO 0.13 -0.74 1.82 0.77 0.04 0.00 0.00 177.00 179.02 1wee h SER 56 N 1.50 0.70 -3.56 6.66 0.02 -2.05 -3.41 113.55 113.43 1wee h SER 56 Ca -0.50 0.04 -0.33 0.00 -0.84 0.00 0.00 61.79 60.16 1wee h SER 56 Cb 1.26 -0.10 -0.33 0.00 0.14 0.00 0.00 62.40 63.36 1wee h SER 56 CO 0.58 0.42 -0.74 -0.54 -1.14 0.00 0.00 176.83 175.41 1wee s LYS 57 N -6.05 0.28 -0.01 3.45 1.02 -1.26 -5.04 119.74 112.13 1wee s LYS 57 Ca -0.12 0.05 0.06 0.00 0.02 0.00 0.00 55.97 55.97 1wee s LYS 57 Cb 0.19 -0.42 -0.02 0.00 -0.52 0.00 0.00 37.83 37.06 1wee s LYS 57 CO 0.78 -0.10 -0.18 0.12 -0.92 0.00 0.00 175.35 175.05 1wee s PHE 58 N 0.82 1.63 -0.22 3.18 5.36 -1.26 -5.05 117.98 122.45 1wee s PHE 58 Ca -0.08 -0.31 -0.02 0.00 -0.96 0.00 0.00 56.93 55.56 1wee s PHE 58 Cb -0.11 -1.04 0.01 0.00 -0.34 0.00 0.00 43.02 41.53 1wee s PHE 58 CO -0.01 -0.02 -0.09 -0.51 -1.46 0.00 0.00 175.22 173.13 1wee s LEU 59 N -0.51 2.76 0.58 6.12 2.01 -1.26 -2.93 118.68 125.44 1wee s LEU 59 Ca 0.07 -0.60 -0.17 0.00 0.01 0.00 0.00 54.13 53.43 1wee s LEU 59 Cb -0.07 -1.64 -0.04 0.00 0.01 0.00 0.00 46.19 44.44 1wee s LEU 59 CO -0.00 -0.04 1.09 0.00 1.01 0.00 0.00 176.35 178.40 1wee n PHE 61 N -1.72 -0.10 -0.27 0.00 3.01 -1.26 0.76 117.46 117.88 1wee n PHE 61 Ca 0.10 0.29 0.20 0.00 1.01 0.00 0.00 57.45 59.05 1wee n PHE 61 Cb 0.52 -0.47 0.37 0.00 -0.01 0.00 0.00 39.48 39.89 1wee n PHE 61 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1wee n ARG 62 N -3.46 -0.06 0.11 -1.08 5.12 -1.26 -0.77 116.66 115.26 1wee n ARG 62 Ca 0.00 1.17 -0.05 0.00 -1.93 0.00 0.00 57.85 57.04 1wee n ARG 62 Cb 0.06 -1.98 -0.03 0.00 -1.16 0.00 0.00 32.46 29.35 1wee n ARG 62 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wee n ILE 64 N -4.36 -0.19 0.01 0.00 5.41 0.41 0.19 119.36 120.82 1wee n ILE 64 Ca -0.04 1.29 -0.21 0.00 1.00 0.00 0.00 62.75 64.78 1wee n ILE 64 Cb 0.14 -2.11 -0.14 0.00 -0.71 0.00 0.00 39.64 36.82 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 0.24 -0.88 0.38 4.39 -1.35 -3.35 114.58 114.01 1wee h GLU 65 Ca 0.62 -0.41 0.11 0.00 0.34 0.00 0.00 59.36 60.02 1wee h GLU 65 Cb 1.97 0.15 -0.08 0.00 -0.10 0.00 0.00 28.75 30.70 1wee h GLU 65 CO -0.35 1.20 0.50 1.25 -1.16 0.00 0.00 179.01 180.45 1wee h LEU 66 N -0.29 0.70 -0.99 1.33 5.85 0.33 -3.46 115.31 118.78 1wee h LEU 66 Ca -0.31 0.06 -0.45 0.00 0.84 0.00 0.00 57.88 58.01 1wee h LEU 66 Cb 1.77 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 42.74 1wee h LEU 66 CO 0.06 0.37 -0.74 -0.24 -0.34 0.00 0.00 178.44 177.54 1wee n SER 67 N -4.74 -4.99 -4.07 1.25 2.88 0.36 -4.94 113.62 99.37 1wee n SER 67 Ca 0.16 -0.72 -0.35 0.00 -1.33 0.00 0.00 58.87 56.62 1wee n SER 67 Cb 0.34 -4.17 -0.09 0.00 -0.75 0.00 0.00 64.21 59.54 1wee n SER 67 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wee s GLY 68 N -3.37 2.82 0.00 0.46 0.00 -1.26 -4.89 107.32 101.08 1wee s GLY 68 Ca 0.61 -3.60 0.15 0.00 0.00 0.00 0.00 44.72 41.88 1wee s GLY 68 CO 0.81 1.14 1.41 -1.55 0.00 0.00 0.00 173.10 174.91 1wee n PRO 69 N 2.76 0.21 -2.20 2.90 -0.04 -1.26 -2.75 135.00 134.62 1wee n PRO 69 Ca 0.15 0.15 -0.20 0.00 -0.04 0.00 0.00 63.50 63.56 1wee n PRO 69 Cb 0.37 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.35 1wee n PRO 69 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wee n SER 70 N -1.29 4.32 -4.13 3.54 2.88 -1.26 -4.99 113.62 112.70 1wee n SER 70 Ca 0.07 -3.46 -0.34 0.00 -1.33 0.00 0.00 58.87 53.81 1wee n SER 70 Cb 0.12 -0.38 -0.14 0.00 -0.75 0.00 0.00 64.21 63.07 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 -3.62 4.85 0.00 -3.46 0.15 -1.11 -5.27 113.70 105.24 1wee s SER 71 Ca 0.47 -1.53 0.00 0.00 0.70 0.00 0.00 55.95 55.59 1wee s SER 71 Cb 0.40 -1.69 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 1wee s SER 71 CO 0.01 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.75