#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 1.52 -0.02 1.61 1.04 -1.26 -5.13 113.70 111.47 1wee s SER 2 Ca 0.00 -1.03 -0.30 0.00 0.48 0.00 0.00 55.95 55.10 1wee s SER 2 Cb 0.00 0.04 -0.03 0.00 0.10 0.00 0.00 66.02 66.12 1wee s SER 2 CO 0.00 -0.40 1.07 -0.94 0.98 0.00 0.00 173.24 173.94 1wee s SER 3 N -3.13 7.23 0.02 7.02 1.04 -1.26 -5.03 113.70 119.59 1wee s SER 3 Ca 0.16 1.74 -0.08 0.00 0.48 0.00 0.00 55.95 58.25 1wee s SER 3 Cb 0.04 -2.57 -0.00 0.00 0.10 0.00 0.00 66.02 63.59 1wee s SER 3 CO -0.01 -0.39 0.15 -0.83 0.98 0.00 0.00 173.24 173.14 1wee s GLY 4 N 1.11 0.07 -0.57 7.32 0.00 -1.26 -5.12 107.32 108.87 1wee s GLY 4 Ca 0.53 -0.28 -0.03 0.00 0.00 0.00 0.00 44.72 44.94 1wee s GLY 4 CO 0.25 -0.44 0.39 -0.56 0.00 0.00 0.00 173.10 172.74 1wee s SER 5 N -1.84 5.30 0.15 1.64 0.01 -1.26 -5.07 113.70 112.63 1wee s SER 5 Ca -0.09 -2.61 0.10 0.00 1.31 0.00 0.00 55.95 54.67 1wee s SER 5 Cb -0.03 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.29 1wee s SER 5 CO -0.02 -0.43 -0.21 -0.44 0.41 0.00 0.00 173.24 172.55 1wee s SER 6 N 1.09 3.67 0.00 2.44 0.01 -1.26 -5.09 113.70 114.57 1wee s SER 6 Ca 0.14 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1wee s SER 6 Cb -0.21 -0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.61 1wee s SER 6 CO -0.04 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1wee n GLY 7 N 0.60 3.15 3.68 3.44 0.00 -1.26 -4.99 105.19 109.81 1wee n GLY 7 Ca -0.15 -2.00 -0.21 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.93 -0.96 -0.98 1.61 -0.00 -1.26 -4.75 117.12 109.86 1wee n MET 8 Ca 0.00 0.06 -0.20 0.00 -0.00 0.00 0.00 57.70 57.56 1wee n MET 8 Cb 0.00 -2.37 0.11 0.00 -0.00 0.00 0.00 33.22 30.97 1wee n MET 8 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1wee n GLU 9 N -3.33 2.03 -1.15 3.17 -0.00 -1.26 -4.37 120.64 115.73 1wee n GLU 9 Ca -0.21 -2.31 -0.16 0.00 -0.00 0.00 0.00 57.16 54.48 1wee n GLU 9 Cb 0.45 -1.91 0.24 0.00 -0.00 0.00 0.00 31.44 30.22 1wee n GLU 9 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1wee n ARG 10 N -0.61 2.92 0.00 3.44 3.00 -1.26 -5.05 116.66 119.11 1wee n ARG 10 Ca 0.45 -3.05 0.00 0.00 -0.00 0.00 0.00 57.85 55.25 1wee n ARG 10 Cb 1.16 -2.20 0.00 0.00 0.00 0.00 0.00 32.46 31.41 1wee n ARG 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wee n GLY 11 N -0.71 -1.48 0.41 5.14 0.00 -1.26 -4.79 105.19 102.51 1wee n GLY 11 Ca 0.52 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 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 0.00 1.26 0.00 1.61 0.31 -1.18 -4.94 118.33 115.39 1wee n VAL 12 Ca 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1wee n VAL 12 Cb 0.00 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 30.97 1wee n VAL 12 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1wee n ASP 13 N -4.02 0.00 -0.02 4.52 8.00 -1.26 -5.03 116.55 118.73 1wee n ASP 13 Ca -0.20 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.25 1wee n ASP 13 Cb 0.51 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.59 1wee n ASP 13 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1wee n ASN 14 N -2.23 0.48 -4.19 -2.24 5.15 -1.26 -5.08 115.26 105.89 1wee n ASN 14 Ca 0.00 0.08 -0.22 0.00 -0.60 0.00 0.00 54.58 53.84 1wee n ASN 14 Cb 0.00 -0.19 0.13 0.00 -0.53 0.00 0.00 39.78 39.19 1wee n ASN 14 CO 0.00 0.00 0.00 -2.67 1.40 0.00 0.00 177.26 175.99 1wee n TRP 15 N -3.29 -3.20 -4.96 1.20 4.27 -1.26 -4.98 117.44 105.23 1wee n TRP 15 Ca -0.09 -1.49 -0.32 0.00 -3.89 0.00 0.00 57.50 51.70 1wee n TRP 15 Cb 0.52 -0.72 -0.14 0.00 -1.36 0.00 0.00 31.31 29.60 1wee n TRP 15 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 1wee s LYS 16 N -5.03 2.78 -0.26 -2.67 3.01 -1.26 -3.11 119.74 113.20 1wee s LYS 16 Ca 0.62 -0.75 -0.01 0.00 -1.01 0.00 0.00 55.97 54.82 1wee s LYS 16 Cb -0.03 -2.40 0.08 0.00 -1.01 0.00 0.00 37.83 34.47 1wee s LYS 16 CO 0.42 0.43 0.06 0.08 0.51 0.00 0.00 175.35 176.85 1wee s VAL 17 N -0.25 0.80 -0.11 3.17 1.01 -1.26 0.28 120.40 124.04 1wee s VAL 17 Ca 0.01 -1.05 -0.11 0.00 0.00 0.00 0.00 61.98 60.82 1wee s VAL 17 Cb -0.13 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 34.85 1wee s VAL 17 CO 0.03 -0.44 0.32 -0.62 0.00 0.00 0.00 175.10 174.39 1wee s ASP 18 N 1.69 -0.32 0.09 3.32 -1.08 -1.08 -4.53 116.67 114.76 1wee s ASP 18 Ca 0.04 0.58 -0.14 0.00 -0.52 0.00 0.00 52.55 52.52 1wee s ASP 18 Cb -0.17 0.62 0.02 0.00 -1.46 0.00 0.00 42.92 41.93 1wee s ASP 18 CO -0.17 -0.15 0.32 0.00 0.52 0.00 0.00 175.17 175.69 1wee n LYS 20 N 0.09 0.07 0.04 0.00 0.00 -1.26 -0.89 118.16 116.21 1wee n LYS 20 Ca -0.17 0.53 -0.20 0.00 -0.00 0.00 0.00 58.31 58.47 1wee n LYS 20 Cb 0.62 -1.85 -0.11 0.00 -0.00 0.00 0.00 35.03 33.68 1wee n LYS 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wee n GLY 22 N 1.19 1.80 3.61 0.00 0.00 -0.07 -5.08 105.19 106.63 1wee n GLY 22 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 4.31 -0.01 2.61 2.01 -1.26 -4.91 115.64 116.39 1wee s THR 23 Ca 0.00 1.30 -0.22 0.00 0.31 0.00 0.00 61.69 63.09 1wee s THR 23 Cb 0.00 -4.54 -0.21 0.00 0.01 0.00 0.00 72.50 67.76 1wee s THR 23 CO 0.00 -0.86 1.12 0.07 -0.69 0.00 0.00 174.62 174.26 1wee h LYS 24 N 8.92 0.31 -5.67 4.92 2.10 -1.97 -3.37 116.57 121.81 1wee h LYS 24 Ca -0.22 -0.28 -0.48 0.00 -2.00 0.00 0.00 60.65 57.66 1wee h LYS 24 Cb 1.06 0.07 -0.14 0.00 -0.90 0.00 0.00 32.23 32.32 1wee h LYS 24 CO 1.09 0.96 -0.74 0.16 -2.00 0.00 0.00 179.45 178.92 1wee s ASP 25 N -6.45 2.74 -0.43 7.07 -4.77 -1.26 -4.63 116.67 108.95 1wee s ASP 25 Ca -0.14 -1.03 -0.27 0.00 -3.30 0.00 0.00 52.55 47.81 1wee s ASP 25 Cb 0.03 -0.16 -0.06 0.00 -1.09 0.00 0.00 42.92 41.64 1wee s ASP 25 CO 0.78 -0.14 2.30 1.51 0.70 0.00 0.00 175.17 180.32 1wee s ASP 26 N -3.35 4.78 0.01 2.11 -4.77 -1.26 -4.85 116.67 109.35 1wee s ASP 26 Ca 0.24 1.23 -0.26 0.00 -3.30 0.00 0.00 52.55 50.46 1wee s ASP 26 Cb -0.01 -2.51 -0.15 0.00 -1.09 0.00 0.00 42.92 39.16 1wee s ASP 26 CO 0.08 -2.59 1.16 0.44 0.70 0.00 0.00 175.17 174.97 1wee h ASP 27 N 17.96 -0.65 0.00 2.11 3.32 -1.97 -3.46 116.42 133.74 1wee h ASP 27 Ca -0.29 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1wee h ASP 27 Cb 1.25 0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.97 1wee h ASP 27 CO 1.11 -0.28 0.00 0.61 -1.72 0.00 0.00 179.24 178.96 1wee n GLY 28 N -0.56 0.00 3.10 2.75 0.00 -1.26 -5.16 105.19 104.05 1wee n GLY 28 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 0.83 0.29 1.61 0.41 -1.26 -5.12 118.70 115.46 1wee s GLU 29 Ca 0.00 -0.62 -0.30 0.00 -0.41 0.00 0.00 54.97 53.64 1wee s GLU 29 Cb 0.00 -0.80 -0.13 0.00 -1.78 0.00 0.00 34.13 31.42 1wee s GLU 29 CO 0.00 0.20 1.34 -2.13 -0.49 0.00 0.00 175.26 174.18 1wee n ARG 30 N 2.15 2.04 -4.10 1.61 0.63 -1.26 -4.92 116.66 112.81 1wee n ARG 30 Ca -0.17 0.72 -0.08 0.00 -0.92 0.00 0.00 57.85 57.40 1wee n ARG 30 Cb 0.55 -2.33 -0.10 0.00 0.45 0.00 0.00 32.46 31.03 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 -1.11 0.65 -0.01 -0.14 -1.94 -1.26 -2.31 119.30 113.17 1wee s MET 31 Ca 0.62 -1.21 0.00 0.00 -1.71 0.00 0.00 55.69 53.39 1wee s MET 31 Cb -0.61 0.11 0.01 0.00 2.01 0.00 0.00 34.83 36.34 1wee s MET 31 CO 0.56 -0.09 -0.00 -0.48 -0.01 0.00 0.00 175.02 175.00 1wee s LEU 32 N -2.87 1.68 0.63 -0.03 2.34 -1.18 -4.92 118.68 114.32 1wee s LEU 32 Ca 0.07 -0.01 -0.15 0.00 0.06 0.00 0.00 54.13 54.10 1wee s LEU 32 Cb 0.06 -0.08 -0.02 0.00 -0.56 0.00 0.00 46.19 45.59 1wee s LEU 32 CO -0.08 -0.03 1.08 0.00 -1.06 0.00 0.00 176.35 176.26 1wee s ALA 33 N 0.36 2.61 -0.35 1.48 0.00 -1.26 -2.76 121.76 121.85 1wee s ALA 33 Ca -0.03 0.46 -0.15 0.00 0.00 0.00 0.00 51.96 52.24 1wee s ALA 33 Cb -0.05 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 1wee s ALA 33 CO -0.01 -1.04 0.35 0.00 0.00 0.00 0.00 175.76 175.05 1wee h ASP 35 N 8.49 0.37 0.00 0.00 3.32 -1.87 0.86 116.42 127.59 1wee h ASP 35 Ca -0.30 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1wee h ASP 35 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1wee h ASP 35 CO 0.69 0.09 0.00 0.61 -1.72 0.00 0.00 179.24 178.91 1wee n GLY 36 N -1.53 -2.80 0.13 2.75 0.00 -1.26 -4.48 105.19 98.01 1wee n GLY 36 Ca 0.24 0.20 -0.27 0.00 0.00 0.00 0.00 46.02 46.19 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 1.47 3.79 0.00 0.00 0.30 -4.98 105.19 107.24 1wee n GLY 38 Ca -0.50 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.75 4.61 -0.01 1.61 1.01 -1.25 -4.15 120.40 120.46 1wee s VAL 39 Ca 0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 1wee s VAL 39 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1wee s VAL 39 CO 0.00 0.10 0.16 0.26 0.00 0.00 0.00 175.10 175.62 1wee s TRP 40 N -1.44 3.51 0.07 5.22 0.52 0.14 0.11 118.94 127.07 1wee s TRP 40 Ca 0.30 0.34 -0.03 0.00 0.02 0.00 0.00 56.10 56.74 1wee s TRP 40 Cb -0.12 -1.82 -0.03 0.00 -1.15 0.00 0.00 33.47 30.35 1wee s TRP 40 CO 0.23 0.64 0.03 -1.01 0.02 0.00 0.00 176.95 176.85 1wee s HIS 41 N -1.29 0.51 -0.32 -1.98 3.76 -1.11 -2.65 115.29 112.21 1wee s HIS 41 Ca 0.26 -1.00 -0.27 0.00 -0.15 0.00 0.00 55.06 53.89 1wee s HIS 41 Cb -0.12 -0.34 -0.05 0.00 1.11 0.00 0.00 32.58 33.18 1wee s HIS 41 CO 0.17 -0.44 2.20 -1.01 -0.85 0.00 0.00 174.74 174.81 1wee s HIS 42 N -3.93 1.24 0.56 1.40 3.76 -1.26 -3.12 115.29 113.93 1wee s HIS 42 Ca 0.10 0.83 0.47 0.00 -0.15 0.00 0.00 55.06 56.30 1wee s HIS 42 Cb 0.07 -3.87 1.68 0.00 1.11 0.00 0.00 32.58 31.58 1wee s HIS 42 CO -0.08 -3.47 1.64 1.79 -0.85 0.00 0.00 174.74 173.76 1wee h THR 43 N 7.24 0.12 0.00 1.30 1.35 -1.78 0.46 112.91 121.60 1wee h THR 43 Ca -0.35 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1wee h THR 43 Cb 1.23 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1wee h THR 43 CO 1.03 0.00 -0.00 -0.09 -0.25 0.00 0.00 175.52 176.21 1wee h ARG 44 N 0.00 -0.00 -0.65 4.72 2.43 -1.82 -0.10 114.38 118.96 1wee h ARG 44 Ca 0.83 0.00 0.17 0.00 -0.81 0.00 0.00 59.98 60.17 1wee h ARG 44 Cb 3.35 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 32.87 1wee h ARG 44 CO -0.01 0.88 0.46 0.00 -1.51 0.00 0.00 179.97 179.79 1wee h ILE 46 N 0.09 0.00 0.00 0.00 3.07 -1.35 -3.48 117.51 115.84 1wee h ILE 46 Ca 0.31 -0.86 0.00 0.00 1.55 0.00 0.00 64.86 65.86 1wee h ILE 46 Cb 1.11 1.76 0.00 0.00 -0.27 0.00 0.00 36.82 39.42 1wee h ILE 46 CO -0.03 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.68 1wee n GLY 47 N 1.17 0.83 3.45 0.16 0.00 0.16 -5.10 105.19 105.85 1wee n GLY 47 Ca 0.04 -0.80 -0.05 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.78 -0.76 0.32 -0.61 1.01 -0.07 -4.98 121.20 114.34 1wee s ILE 48 Ca 0.00 0.09 0.08 0.00 0.00 0.00 0.00 60.65 60.82 1wee s ILE 48 Cb 0.00 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 1wee s ILE 48 CO 0.00 0.04 0.17 0.20 0.00 0.00 0.00 174.94 175.35 1wee s ASN 49 N 2.66 4.93 0.61 3.58 -0.87 -1.26 -3.61 114.94 120.98 1wee s ASN 49 Ca -0.04 -0.62 0.28 0.00 -1.57 0.00 0.00 52.86 50.91 1wee s ASN 49 Cb -0.12 -0.89 1.40 0.00 -0.02 0.00 0.00 41.25 41.62 1wee s ASN 49 CO -0.16 -0.24 1.81 -0.55 -2.57 0.00 0.00 177.10 175.39 1wee h ASN 50 N 1.50 0.00 -0.35 -1.22 7.08 -1.99 0.06 115.58 120.66 1wee h ASN 50 Ca -0.45 0.00 -0.23 0.00 -3.08 0.00 0.00 56.30 52.54 1wee h ASN 50 Cb 1.25 0.00 -0.10 0.00 -2.08 0.00 0.00 38.32 37.39 1wee h ASN 50 CO 0.61 0.00 0.30 0.00 -2.08 0.00 0.00 177.43 176.26 1wee n ALA 51 N -2.20 4.62 -3.46 4.14 0.00 -1.26 -4.73 120.51 117.61 1wee n ALA 51 Ca 0.07 -1.19 0.01 0.00 0.00 0.00 0.00 53.44 52.33 1wee n ALA 51 Cb 0.70 -1.25 -0.05 0.00 0.00 0.00 0.00 19.45 18.85 1wee n ALA 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wee s ASP 52 N 0.57 -0.48 1.35 0.00 1.01 0.01 -5.17 116.67 113.95 1wee s ASP 52 Ca 0.22 0.69 -0.21 0.00 0.71 0.00 0.00 52.55 53.97 1wee s ASP 52 Cb 0.18 1.44 0.34 0.00 1.01 0.00 0.00 42.92 45.89 1wee s ASP 52 CO 0.00 -0.10 0.98 0.00 0.21 0.00 0.00 175.17 176.26 1wee s ALA 53 N 2.02 -0.44 0.13 5.23 0.00 -1.26 -4.59 121.76 122.85 1wee s ALA 53 Ca -0.04 -0.75 -0.17 0.00 0.00 0.00 0.00 51.96 50.99 1wee s ALA 53 Cb -0.05 -2.97 -0.07 0.00 0.00 0.00 0.00 23.12 20.03 1wee s ALA 53 CO -0.16 -4.30 0.58 -0.51 0.00 0.00 0.00 175.76 171.36 1wee s LEU 54 N -7.59 4.41 0.20 0.00 1.43 -1.26 -4.98 118.68 110.89 1wee s LEU 54 Ca 0.69 1.19 -0.30 0.00 -1.03 0.00 0.00 54.13 54.68 1wee s LEU 54 Cb -0.14 -3.17 -0.09 0.00 0.03 0.00 0.00 46.19 42.82 1wee s LEU 54 CO 0.58 0.16 1.30 -2.16 0.23 0.00 0.00 176.35 176.46 1wee s PRO 55 N -1.65 4.40 0.33 1.29 0.04 -1.26 -4.91 135.00 133.23 1wee s PRO 55 Ca 0.35 2.04 0.09 0.00 0.04 0.00 0.00 61.00 63.53 1wee s PRO 55 Cb -0.17 -3.19 0.96 0.00 0.04 0.00 0.00 34.50 32.14 1wee s PRO 55 CO 0.19 -0.24 1.61 1.03 0.04 0.00 0.00 177.00 179.64 1wee h SER 56 N 5.29 0.07 -3.48 6.66 0.87 -2.06 -3.37 113.55 117.53 1wee h SER 56 Ca -0.45 0.23 -0.43 0.00 -1.23 0.00 0.00 61.79 59.91 1wee h SER 56 Cb 1.21 0.29 -0.33 0.00 -0.44 0.00 0.00 62.40 63.13 1wee h SER 56 CO 0.77 -0.27 -0.78 -0.54 -0.53 0.00 0.00 176.83 175.47 1wee s LYS 57 N -5.79 1.05 -0.05 2.24 -0.14 -1.26 -5.09 119.74 110.69 1wee s LYS 57 Ca -0.11 -0.20 0.05 0.00 -1.36 0.00 0.00 55.97 54.35 1wee s LYS 57 Cb 0.30 -0.97 -0.00 0.00 -1.68 0.00 0.00 37.83 35.47 1wee s LYS 57 CO 0.78 -0.03 -0.20 0.12 -0.76 0.00 0.00 175.35 175.26 1wee s PHE 58 N 0.77 2.00 -0.12 3.18 5.36 -1.26 -5.09 117.98 122.82 1wee s PHE 58 Ca -0.12 -0.61 0.01 0.00 -0.96 0.00 0.00 56.93 55.26 1wee s PHE 58 Cb -0.14 -1.33 0.02 0.00 -0.34 0.00 0.00 43.02 41.22 1wee s PHE 58 CO 0.01 -0.20 -0.15 -0.51 -1.46 0.00 0.00 175.22 172.91 1wee s LEU 59 N 0.01 1.72 0.41 6.12 2.01 -1.26 -2.96 118.68 124.73 1wee s LEU 59 Ca -0.05 -0.45 -0.24 0.00 0.01 0.00 0.00 54.13 53.40 1wee s LEU 59 Cb -0.13 -1.12 -0.09 0.00 0.01 0.00 0.00 46.19 44.86 1wee s LEU 59 CO 0.03 -0.00 1.08 0.00 1.01 0.00 0.00 176.35 178.47 1wee n PHE 61 N -0.12 -0.16 -0.35 0.00 3.01 -1.26 0.17 117.46 118.75 1wee n PHE 61 Ca 0.05 1.12 0.24 0.00 1.01 0.00 0.00 57.45 59.88 1wee n PHE 61 Cb 0.49 -0.72 0.50 0.00 -0.01 0.00 0.00 39.48 39.73 1wee n PHE 61 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1wee h ARG 62 N 0.00 0.35 0.13 -1.08 -0.00 -2.02 0.65 114.38 112.42 1wee h ARG 62 Ca 0.24 -0.02 -0.20 0.00 -0.50 0.00 0.00 59.98 59.50 1wee h ARG 62 Cb 0.47 -0.08 0.02 0.00 0.00 0.00 0.00 29.97 30.38 1wee h ARG 62 CO -0.88 0.23 -0.88 0.00 0.00 0.00 0.00 179.97 178.45 1wee n ILE 64 N -4.08 -0.34 0.05 0.00 2.08 0.85 0.23 119.36 118.16 1wee n ILE 64 Ca -0.14 1.68 -0.13 0.00 0.56 0.00 0.00 62.75 64.72 1wee n ILE 64 Cb 0.84 -2.64 -0.14 0.00 -0.75 0.00 0.00 39.64 36.96 1wee n ILE 64 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1wee h GLU 65 N 0.00 0.15 -0.64 0.38 3.07 -1.63 -3.33 114.58 112.58 1wee h GLU 65 Ca 0.62 -0.26 0.05 0.00 -0.50 0.00 0.00 59.36 59.27 1wee h GLU 65 Cb 1.56 0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 29.52 1wee h GLU 65 CO -0.66 1.00 0.36 1.25 -1.40 0.00 0.00 179.01 179.56 1wee h LEU 66 N 0.04 0.55 -9.75 1.33 6.46 0.29 -3.43 115.31 110.80 1wee h LEU 66 Ca -0.19 0.02 -0.57 0.00 -0.12 0.00 0.00 57.88 57.03 1wee h LEU 66 Cb 1.95 -0.09 0.17 0.00 -0.73 0.00 0.00 40.66 41.97 1wee h LEU 66 CO 0.14 0.37 -0.06 -0.24 -0.62 0.00 0.00 178.44 178.03 1wee n SER 67 N -4.78 0.06 -4.43 1.25 2.88 -0.02 -4.81 113.62 103.75 1wee n SER 67 Ca 0.07 0.74 -0.47 0.00 -1.33 0.00 0.00 58.87 57.88 1wee n SER 67 Cb 0.15 -1.32 -0.03 0.00 -0.75 0.00 0.00 64.21 62.26 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 1.43 -1.48 3.76 0.46 0.00 -1.26 -4.87 105.19 103.24 1wee n GLY 68 Ca 0.13 0.33 -0.41 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.11 4.46 -0.29 1.61 0.04 -1.26 -5.03 135.00 133.42 1wee s PRO 69 Ca 0.63 2.06 -0.25 0.00 0.04 0.00 0.00 61.00 63.48 1wee s PRO 69 Cb -0.88 -3.13 0.14 0.00 0.04 0.00 0.00 34.50 30.66 1wee s PRO 69 CO 0.57 -0.06 1.10 0.45 0.04 0.00 0.00 177.00 179.10 1wee s SER 70 N -0.49 -0.38 -0.03 6.66 0.15 -1.26 -5.07 113.70 113.28 1wee s SER 70 Ca 0.49 0.73 -0.22 0.00 0.70 0.00 0.00 55.95 57.64 1wee s SER 70 Cb -0.37 0.76 -0.16 0.00 -1.71 0.00 0.00 66.02 64.55 1wee s SER 70 CO 0.47 -0.13 1.00 -1.28 1.20 0.00 0.00 173.24 174.50 1wee h SER 71 N 4.10 -0.24 0.00 5.45 0.87 -2.05 -3.55 113.55 118.13 1wee h SER 71 Ca -0.28 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 59.99 1wee h SER 71 Cb 1.18 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1wee h SER 71 CO 0.12 0.24 0.00 0.61 -0.53 0.00 0.00 176.83 177.27