#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 5.78 -0.08 1.61 0.15 -1.26 -4.96 113.70 114.94 1wee s SER 2 Ca 0.00 -1.57 -0.07 0.00 0.70 0.00 0.00 55.95 55.01 1wee s SER 2 Cb 0.00 -2.04 -0.05 0.00 -1.71 0.00 0.00 66.02 62.22 1wee s SER 2 CO 0.00 -0.61 0.28 -1.28 1.20 0.00 0.00 173.24 172.83 1wee h SER 3 N 8.51 -0.14 0.00 5.45 0.87 -2.11 -3.50 113.55 122.63 1wee h SER 3 Ca -0.24 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1wee h SER 3 Cb 1.09 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1wee h SER 3 CO 0.82 0.38 0.00 0.61 -0.53 0.00 0.00 176.83 178.11 1wee n GLY 4 N 1.32 4.26 3.73 5.77 0.00 -1.26 -5.14 105.19 113.87 1wee n GLY 4 Ca -0.03 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 1wee n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wee s SER 5 N 1.49 6.88 0.62 1.61 0.01 -1.26 -5.06 113.70 117.99 1wee s SER 5 Ca 0.00 1.06 -0.12 0.00 1.31 0.00 0.00 55.95 58.19 1wee s SER 5 Cb 0.00 -2.36 -0.03 0.00 0.21 0.00 0.00 66.02 63.84 1wee s SER 5 CO 0.00 -0.03 1.03 -0.94 0.41 0.00 0.00 173.24 173.71 1wee s SER 6 N 0.53 6.03 0.00 2.44 1.04 -1.26 -4.95 113.70 117.52 1wee s SER 6 Ca 0.32 1.53 0.00 0.00 0.48 0.00 0.00 55.95 58.28 1wee s SER 6 Cb -0.17 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1wee s SER 6 CO 0.15 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.98 1wee n GLY 7 N -2.21 0.75 3.67 7.32 0.00 -1.26 -5.06 105.19 108.41 1wee n GLY 7 Ca 0.07 -2.09 -0.47 0.00 0.00 0.00 0.00 46.02 43.53 1wee n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wee n MET 8 N 0.00 2.09 -2.50 1.61 -0.00 -1.26 -4.93 117.12 112.13 1wee n MET 8 Ca 0.00 0.76 -0.37 0.00 -0.00 0.00 0.00 57.70 58.09 1wee n MET 8 Cb 0.00 -2.54 -0.04 0.00 -0.00 0.00 0.00 33.22 30.64 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 1.95 4.19 -0.18 3.17 2.02 -1.26 -5.04 118.70 123.55 1wee s GLU 9 Ca 0.84 1.59 -0.01 0.00 0.02 0.00 0.00 54.97 57.41 1wee s GLU 9 Cb -0.70 -2.63 -0.00 0.00 0.10 0.00 0.00 34.13 30.89 1wee s GLU 9 CO 0.43 -0.13 -0.11 0.50 0.02 0.00 0.00 175.26 175.96 1wee s ARG 10 N -2.35 3.26 0.00 1.61 3.00 -1.26 -5.02 118.95 118.19 1wee s ARG 10 Ca 0.56 -0.70 0.00 0.00 -1.00 0.00 0.00 55.73 54.59 1wee s ARG 10 Cb -0.24 -2.77 0.00 0.00 0.00 0.00 0.00 34.95 31.94 1wee s ARG 10 CO 0.31 -0.08 0.00 0.41 0.00 0.00 0.00 175.30 175.93 1wee n GLY 11 N 4.38 0.61 3.78 8.12 0.00 -1.26 -5.08 105.19 115.75 1wee n GLY 11 Ca -0.19 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 43.68 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 -2.60 3.65 -0.01 1.61 -7.23 -1.26 -4.98 120.40 109.58 1wee s VAL 12 Ca 0.00 1.26 -0.03 0.00 -1.81 0.00 0.00 61.98 61.40 1wee s VAL 12 Cb 0.00 -3.65 -0.02 0.00 0.56 0.00 0.00 36.38 33.28 1wee s VAL 12 CO 0.00 0.00 -0.07 0.47 -0.31 0.00 0.00 175.10 175.19 1wee n ASP 13 N -0.13 0.77 -0.00 4.85 9.92 -1.26 -4.79 116.55 125.91 1wee n ASP 13 Ca 0.05 0.11 -0.11 0.00 -0.53 0.00 0.00 54.79 54.31 1wee n ASP 13 Cb 0.49 -0.27 -0.05 0.00 -0.64 0.00 0.00 41.12 40.66 1wee n ASP 13 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 1wee h ASN 14 N -0.19 -1.14 -2.30 -2.24 2.35 -2.01 -3.21 115.58 106.83 1wee h ASN 14 Ca -0.08 0.16 -0.73 0.00 -0.55 0.00 0.00 56.30 55.10 1wee h ASN 14 Cb 0.71 0.48 -0.18 0.00 0.05 0.00 0.00 38.32 39.38 1wee h ASN 14 CO -0.05 -0.39 1.19 0.26 -1.65 0.00 0.00 177.43 176.79 1wee s TRP 15 N -5.95 3.46 -0.51 1.19 0.51 -1.26 -4.98 118.94 111.40 1wee s TRP 15 Ca -0.15 -2.00 -0.27 0.00 -2.12 0.00 0.00 56.10 51.55 1wee s TRP 15 Cb 0.10 -4.28 -0.02 0.00 -0.81 0.00 0.00 33.47 28.46 1wee s TRP 15 CO 0.65 -1.39 1.82 0.21 -0.51 0.00 0.00 176.95 177.73 1wee s LYS 16 N 1.68 2.91 -0.43 4.98 2.47 -1.21 -4.90 119.74 125.23 1wee s LYS 16 Ca 0.40 0.91 -0.09 0.00 -1.56 0.00 0.00 55.97 55.62 1wee s LYS 16 Cb -0.04 -4.31 0.09 0.00 -1.46 0.00 0.00 37.83 32.11 1wee s LYS 16 CO -0.02 -2.39 0.27 0.14 0.16 0.00 0.00 175.35 173.51 1wee s VAL 17 N 8.20 4.23 -0.34 4.02 -7.23 -1.26 -1.43 120.40 126.58 1wee s VAL 17 Ca 0.71 -1.46 -0.01 0.00 -1.81 0.00 0.00 61.98 59.41 1wee s VAL 17 Cb -0.16 -3.62 0.12 0.00 0.56 0.00 0.00 36.38 33.27 1wee s VAL 17 CO 0.26 -0.55 0.16 1.51 -0.31 0.00 0.00 175.10 176.16 1wee s ASP 18 N 2.21 3.63 0.36 4.85 1.47 -1.25 -4.71 116.67 123.22 1wee s ASP 18 Ca 0.04 -1.90 0.08 0.00 1.18 0.00 0.00 52.55 51.94 1wee s ASP 18 Cb -0.24 -0.70 -0.03 0.00 -0.34 0.00 0.00 42.92 41.61 1wee s ASP 18 CO 0.02 -0.37 0.28 0.00 0.68 0.00 0.00 175.17 175.78 1wee h LYS 20 N 1.26 0.07 -0.71 0.00 5.09 -2.00 -3.18 116.57 117.11 1wee h LYS 20 Ca -0.43 -0.05 0.11 0.00 0.09 0.00 0.00 60.65 60.37 1wee h LYS 20 Cb 1.26 0.01 -0.08 0.00 0.10 0.00 0.00 32.23 33.51 1wee h LYS 20 CO 0.60 0.67 0.30 0.00 -2.09 0.00 0.00 179.45 178.93 1wee n GLY 22 N -1.31 1.47 3.60 0.00 0.00 -1.20 -5.11 105.19 102.65 1wee n GLY 22 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 4.83 0.00 2.61 2.01 -1.26 -4.94 115.64 116.90 1wee s THR 23 Ca 0.00 1.02 -0.19 0.00 0.31 0.00 0.00 61.69 62.82 1wee s THR 23 Cb 0.00 -4.11 -0.26 0.00 0.01 0.00 0.00 72.50 68.14 1wee s THR 23 CO 0.00 -0.24 1.06 0.07 -0.69 0.00 0.00 174.62 174.82 1wee h LYS 24 N 8.20 0.43 -4.29 4.92 2.10 -1.97 -3.40 116.57 122.57 1wee h LYS 24 Ca -0.25 -0.53 -0.18 0.00 -2.00 0.00 0.00 60.65 57.69 1wee h LYS 24 Cb 1.10 0.17 -0.13 0.00 -0.90 0.00 0.00 32.23 32.47 1wee h LYS 24 CO 0.86 1.19 -0.47 0.34 -2.00 0.00 0.00 179.45 179.36 1wee s ASP 25 N -6.92 0.09 -0.18 7.07 2.15 -1.26 -4.80 116.67 112.82 1wee s ASP 25 Ca -0.13 -1.22 -0.31 0.00 0.43 0.00 0.00 52.55 51.32 1wee s ASP 25 Cb 0.03 0.43 -0.09 0.00 -0.30 0.00 0.00 42.92 43.00 1wee s ASP 25 CO 0.85 -0.91 2.09 0.47 -0.17 0.00 0.00 175.17 177.50 1wee n ASP 26 N -0.28 3.20 -0.06 -0.34 9.92 -1.26 -4.85 116.55 122.88 1wee n ASP 26 Ca -0.00 0.54 -0.22 0.00 -0.53 0.00 0.00 54.79 54.58 1wee n ASP 26 Cb 0.65 -1.44 -0.12 0.00 -0.64 0.00 0.00 41.12 39.56 1wee n ASP 26 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1wee n ASP 27 N 9.42 2.00 0.00 -2.24 -0.08 -1.26 -4.97 116.55 119.42 1wee n ASP 27 Ca 0.29 0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.85 1wee n ASP 27 Cb 0.36 -0.86 0.00 0.00 2.34 0.00 0.00 41.12 42.95 1wee n ASP 27 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wee n GLY 28 N 1.73 0.00 3.20 0.27 0.00 -1.26 -5.17 105.19 103.95 1wee n GLY 28 Ca -0.35 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 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 0.90 0.30 1.61 2.02 -1.26 -5.13 118.70 117.13 1wee s GLU 29 Ca 0.00 -1.17 -0.29 0.00 0.02 0.00 0.00 54.97 53.53 1wee s GLU 29 Cb 0.00 -0.67 -0.10 0.00 0.10 0.00 0.00 34.13 33.46 1wee s GLU 29 CO 0.00 0.12 1.19 0.50 0.02 0.00 0.00 175.26 177.09 1wee s ARG 30 N -2.68 4.51 0.10 1.61 3.52 -1.26 -5.03 118.95 119.72 1wee s ARG 30 Ca 0.06 1.98 -0.08 0.00 -0.13 0.00 0.00 55.73 57.56 1wee s ARG 30 Cb -0.04 -3.14 -0.01 0.00 -1.56 0.00 0.00 34.95 30.20 1wee s ARG 30 CO 0.01 0.03 0.20 -1.64 -0.81 0.00 0.00 175.30 173.09 1wee s MET 31 N -1.51 0.90 -0.02 5.12 -1.94 -1.26 -2.88 119.30 117.72 1wee s MET 31 Ca 0.47 -1.03 0.01 0.00 -1.71 0.00 0.00 55.69 53.43 1wee s MET 31 Cb -0.35 0.34 0.01 0.00 2.01 0.00 0.00 34.83 36.84 1wee s MET 31 CO 0.46 -0.29 -0.04 -0.48 -0.01 0.00 0.00 175.02 174.65 1wee s LEU 32 N -2.89 1.70 -0.18 -0.03 2.34 -1.02 -4.85 118.68 113.73 1wee s LEU 32 Ca 0.08 -0.09 -0.28 0.00 0.06 0.00 0.00 54.13 53.90 1wee s LEU 32 Cb 0.05 -0.31 -0.00 0.00 -0.56 0.00 0.00 46.19 45.36 1wee s LEU 32 CO -0.08 0.01 0.95 0.00 -1.06 0.00 0.00 176.35 176.16 1wee s ALA 33 N 0.33 3.57 -0.42 1.48 0.00 -1.25 -1.71 121.76 123.76 1wee s ALA 33 Ca -0.04 0.15 -0.43 0.00 0.00 0.00 0.00 51.96 51.65 1wee s ALA 33 Cb -0.07 -3.40 -0.17 0.00 0.00 0.00 0.00 23.12 19.47 1wee s ALA 33 CO -0.00 -0.82 1.86 0.00 0.00 0.00 0.00 175.76 176.80 1wee h ASP 35 N 7.67 0.25 0.00 0.00 3.58 -1.88 -0.24 116.42 125.81 1wee h ASP 35 Ca -0.34 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.27 1wee h ASP 35 Cb 1.36 0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.57 1wee h ASP 35 CO 1.01 -0.24 0.00 0.61 -2.88 0.00 0.00 179.24 177.74 1wee n GLY 36 N -1.48 1.69 0.16 -0.78 0.00 -1.26 -4.73 105.19 98.79 1wee n GLY 36 Ca 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.19 0.89 3.43 0.00 0.00 -0.11 -4.93 105.19 103.30 1wee n GLY 38 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.30 3.58 -0.39 1.61 1.01 -1.26 -4.44 120.40 120.21 1wee s VAL 39 Ca 0.00 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 1wee s VAL 39 Cb 0.00 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.82 1wee s VAL 39 CO 0.00 0.49 1.36 0.26 0.00 0.00 0.00 175.10 177.20 1wee s TRP 40 N 0.55 2.52 -0.02 5.22 0.52 -0.51 -1.50 118.94 125.71 1wee s TRP 40 Ca -0.05 0.73 0.07 0.00 0.02 0.00 0.00 56.10 56.88 1wee s TRP 40 Cb -0.15 -4.21 -0.02 0.00 -1.15 0.00 0.00 33.47 27.94 1wee s TRP 40 CO 0.03 -1.84 -0.23 -1.01 0.02 0.00 0.00 176.95 173.91 1wee s HIS 41 N 5.04 2.42 -0.32 -1.98 3.76 -0.69 -3.96 115.29 119.56 1wee s HIS 41 Ca 0.59 -0.37 -0.35 0.00 -0.15 0.00 0.00 55.06 54.78 1wee s HIS 41 Cb -0.14 -1.52 -0.11 0.00 1.11 0.00 0.00 32.58 31.92 1wee s HIS 41 CO 0.30 0.04 2.15 0.72 -0.85 0.00 0.00 174.74 177.10 1wee n HIS 42 N 2.31 1.68 -0.33 1.40 8.25 -1.26 -2.45 115.22 124.83 1wee n HIS 42 Ca -0.16 0.26 0.30 0.00 -0.26 0.00 0.00 57.72 57.85 1wee n HIS 42 Cb 0.51 -2.54 0.63 0.00 1.12 0.00 0.00 29.99 29.71 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 6.90 0.44 -0.24 1.59 1.35 -1.87 0.32 112.91 121.40 1wee h THR 43 Ca -0.30 -0.06 -0.16 0.00 -0.55 0.00 0.00 66.41 65.33 1wee h THR 43 Cb 1.31 0.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1wee h THR 43 CO 1.01 0.03 -0.49 0.08 -0.25 0.00 0.00 175.52 175.91 1wee h ARG 44 N 0.19 0.76 -0.41 4.72 0.11 -1.84 0.27 114.38 118.18 1wee h ARG 44 Ca 0.59 -0.49 0.00 0.00 0.10 0.00 0.00 59.98 60.19 1wee h ARG 44 Cb 1.93 0.06 -0.02 0.00 1.11 0.00 0.00 29.97 33.05 1wee h ARG 44 CO -0.17 1.12 0.27 0.00 0.10 0.00 0.00 179.97 181.29 1wee h ILE 46 N 0.55 1.23 0.00 0.00 3.07 -1.38 -3.46 117.51 117.52 1wee h ILE 46 Ca 0.15 -0.90 0.00 0.00 1.55 0.00 0.00 64.86 65.66 1wee h ILE 46 Cb -0.06 0.82 0.00 0.00 -0.27 0.00 0.00 36.82 37.31 1wee h ILE 46 CO -0.03 0.32 0.00 0.61 -1.05 0.00 0.00 178.15 178.00 1wee n GLY 47 N -0.76 0.19 2.83 0.16 0.00 -0.93 -5.12 105.19 101.54 1wee n GLY 47 Ca 0.03 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 1.65 0.38 -0.61 -1.09 0.92 -4.97 121.20 117.48 1wee s ILE 48 Ca 0.00 -2.32 -0.07 0.00 -2.23 0.00 0.00 60.65 56.03 1wee s ILE 48 Cb 0.00 -2.19 -0.05 0.00 -1.58 0.00 0.00 42.46 38.64 1wee s ILE 48 CO 0.00 -0.75 0.69 0.21 -1.23 0.00 0.00 174.94 173.86 1wee s ASN 49 N 0.72 6.44 0.35 3.58 3.84 -1.26 -3.99 114.94 124.61 1wee s ASN 49 Ca 0.14 0.93 0.14 0.00 0.21 0.00 0.00 52.86 54.29 1wee s ASN 49 Cb -0.22 -2.24 1.13 0.00 -0.55 0.00 0.00 41.25 39.38 1wee s ASN 49 CO -0.08 -0.36 1.59 -0.55 -2.79 0.00 0.00 177.10 174.90 1wee h ASN 50 N 1.18 0.11 -0.70 -4.21 7.08 -2.00 1.10 115.58 118.14 1wee h ASN 50 Ca -0.47 0.26 -0.03 0.00 -3.08 0.00 0.00 56.30 52.97 1wee h ASN 50 Cb 1.19 0.32 -0.03 0.00 -2.08 0.00 0.00 38.32 37.72 1wee h ASN 50 CO 0.64 -0.37 0.31 0.00 -2.08 0.00 0.00 177.43 175.93 1wee h ALA 51 N 1.97 0.90 -2.55 4.14 0.00 -2.03 -3.43 119.26 118.26 1wee h ALA 51 Ca 0.76 -0.16 -0.48 0.00 0.00 0.00 0.00 54.91 55.03 1wee h ALA 51 Cb 1.87 -0.27 0.10 0.00 0.00 0.00 0.00 17.79 19.48 1wee h ALA 51 CO -0.79 0.49 0.39 -0.51 0.00 0.00 0.00 179.25 178.83 1wee s ASP 52 N -6.16 4.63 0.52 0.00 1.01 0.38 -5.10 116.67 111.95 1wee s ASP 52 Ca -0.13 0.94 0.00 0.00 0.71 0.00 0.00 52.55 54.08 1wee s ASP 52 Cb 0.14 -1.54 0.00 0.00 1.01 0.00 0.00 42.92 42.53 1wee s ASP 52 CO 0.81 -1.84 0.03 0.00 0.21 0.00 0.00 175.17 174.37 1wee n ALA 53 N -3.30 0.46 -2.55 5.23 0.00 -1.26 -4.62 120.51 114.46 1wee n ALA 53 Ca 0.07 -2.31 -0.42 0.00 0.00 0.00 0.00 53.44 50.78 1wee n ALA 53 Cb 0.59 1.25 -0.03 0.00 0.00 0.00 0.00 19.45 21.26 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 0.00 4.25 0.31 0.00 1.43 -1.26 -4.94 118.68 118.47 1wee s LEU 54 Ca 0.02 1.68 -0.29 0.00 -1.03 0.00 0.00 54.13 54.51 1wee s LEU 54 Cb -0.00 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.56 1wee s LEU 54 CO 0.01 -0.54 1.22 -2.16 0.23 0.00 0.00 176.35 175.11 1wee s PRO 55 N 2.23 4.46 0.30 1.29 0.04 -1.26 -4.93 135.00 137.13 1wee s PRO 55 Ca 0.52 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.64 1wee s PRO 55 Cb -0.22 -3.11 0.60 0.00 0.04 0.00 0.00 34.50 31.81 1wee s PRO 55 CO 0.19 -0.03 1.87 1.03 0.04 0.00 0.00 177.00 180.10 1wee h SER 56 N 3.54 0.87 -3.88 6.66 0.87 -2.06 -3.42 113.55 116.12 1wee h SER 56 Ca -0.48 0.03 -0.20 0.00 -1.23 0.00 0.00 61.79 59.91 1wee h SER 56 Cb 1.22 -0.15 -0.27 0.00 -0.44 0.00 0.00 62.40 62.77 1wee h SER 56 CO 0.66 0.49 -0.62 -0.54 -0.53 0.00 0.00 176.83 176.29 1wee s LYS 57 N -5.88 0.13 -0.08 2.24 1.02 -1.26 -5.03 119.74 110.88 1wee s LYS 57 Ca -0.11 0.05 -0.00 0.00 0.02 0.00 0.00 55.97 55.93 1wee s LYS 57 Cb 0.21 0.06 0.02 0.00 -0.52 0.00 0.00 37.83 37.61 1wee s LYS 57 CO 0.80 -0.02 -0.05 0.12 -0.92 0.00 0.00 175.35 175.28 1wee s PHE 58 N -0.10 1.03 -0.48 3.18 5.36 -1.26 -5.03 117.98 120.67 1wee s PHE 58 Ca -0.02 -0.39 -0.11 0.00 -0.96 0.00 0.00 56.93 55.45 1wee s PHE 58 Cb -0.01 -0.93 0.12 0.00 -0.34 0.00 0.00 43.02 41.86 1wee s PHE 58 CO 0.00 -0.34 0.38 -0.51 -1.46 0.00 0.00 175.22 173.29 1wee s LEU 59 N 1.46 5.78 0.45 6.12 2.01 -1.26 -2.70 118.68 130.55 1wee s LEU 59 Ca -0.02 -1.85 -0.24 0.00 0.01 0.00 0.00 54.13 52.04 1wee s LEU 59 Cb -0.13 -2.06 -0.09 0.00 0.01 0.00 0.00 46.19 43.92 1wee s LEU 59 CO -0.04 -0.72 1.21 0.00 1.01 0.00 0.00 176.35 177.81 1wee n PHE 61 N -0.48 0.23 -0.05 0.00 -1.74 -1.26 0.90 117.46 115.07 1wee n PHE 61 Ca 0.08 0.76 -0.12 0.00 -0.56 0.00 0.00 57.45 57.60 1wee n PHE 61 Cb 0.41 -0.86 -0.07 0.00 1.52 0.00 0.00 39.48 40.48 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 -0.45 0.00 3.97 2.43 -2.00 -2.90 114.38 115.43 1wee h ARG 62 Ca 0.30 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1wee h ARG 62 Cb 0.47 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1wee h ARG 62 CO -0.64 -0.30 0.00 0.00 -1.51 0.00 0.00 179.97 177.53 1wee n ILE 64 N -2.80 -0.16 0.03 0.00 -0.00 -1.10 0.25 119.36 115.57 1wee n ILE 64 Ca 0.00 1.18 -0.22 0.00 -0.00 0.00 0.00 62.75 63.71 1wee n ILE 64 Cb 0.00 -1.93 -0.14 0.00 -0.00 0.00 0.00 39.64 37.56 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 0.29 -0.88 0.38 5.08 0.52 -3.35 114.58 116.62 1wee h GLU 65 Ca 0.58 -0.49 0.10 0.00 -1.00 0.00 0.00 59.36 58.55 1wee h GLU 65 Cb 1.89 0.18 -0.08 0.00 0.50 0.00 0.00 28.75 31.24 1wee h GLU 65 CO -0.30 1.24 0.52 1.25 -1.00 0.00 0.00 179.01 180.72 1wee h LEU 66 N -0.24 0.75 -9.60 1.33 5.85 0.73 -3.43 115.31 110.70 1wee h LEU 66 Ca -0.28 0.05 -0.59 0.00 0.84 0.00 0.00 57.88 57.90 1wee h LEU 66 Cb 1.81 -0.10 0.14 0.00 0.37 0.00 0.00 40.66 42.88 1wee h LEU 66 CO 0.10 0.41 0.06 -0.24 -0.34 0.00 0.00 178.44 178.43 1wee n SER 67 N -4.71 0.83 0.00 1.25 2.88 0.04 -4.19 113.62 109.72 1wee n SER 67 Ca 0.15 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1wee n SER 67 Cb 0.30 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 1wee n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wee n GLY 68 N 1.30 1.12 3.77 0.46 0.00 -1.26 -5.02 105.19 105.56 1wee n GLY 68 Ca 0.10 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 2.94 1.16 1.61 0.04 -1.26 -5.02 135.00 134.48 1wee s PRO 69 Ca 0.00 1.45 -0.13 0.00 0.04 0.00 0.00 61.00 62.36 1wee s PRO 69 Cb 0.00 -1.96 0.28 0.00 0.04 0.00 0.00 34.50 32.86 1wee s PRO 69 CO 0.00 -1.15 1.03 0.45 0.04 0.00 0.00 177.00 177.38 1wee s SER 70 N -2.37 0.96 -0.02 6.66 0.15 -1.26 -4.94 113.70 112.88 1wee s SER 70 Ca 0.68 1.58 -0.30 0.00 0.70 0.00 0.00 55.95 58.62 1wee s SER 70 Cb -0.21 -2.34 -0.03 0.00 -1.71 0.00 0.00 66.02 61.72 1wee s SER 70 CO 0.38 -4.22 0.99 -0.55 1.20 0.00 0.00 173.24 171.04 1wee s SER 71 N -2.47 7.34 0.00 5.45 0.15 -1.26 -5.11 113.70 117.80 1wee s SER 71 Ca 0.69 1.65 0.28 0.00 0.70 0.00 0.00 55.95 59.27 1wee s SER 71 Cb -0.25 -2.57 1.07 0.00 -1.71 0.00 0.00 66.02 62.56 1wee s SER 71 CO 0.65 -0.30 1.76 0.61 1.20 0.00 0.00 173.24 177.15