#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 -0.70 0.06 1.61 0.01 -1.26 -5.17 113.70 108.24 1wee s SER 2 Ca 0.00 1.17 -0.05 0.00 1.31 0.00 0.00 55.95 58.39 1wee s SER 2 Cb 0.00 1.06 -0.02 0.00 0.21 0.00 0.00 66.02 67.27 1wee s SER 2 CO 0.00 -0.21 0.08 -0.44 0.41 0.00 0.00 173.24 173.07 1wee s SER 3 N 1.42 0.28 0.00 2.44 0.01 -1.26 -5.08 113.70 111.51 1wee s SER 3 Ca -0.09 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.43 1wee s SER 3 Cb -0.07 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.41 1wee s SER 3 CO -0.15 -0.60 0.00 0.61 0.41 0.00 0.00 173.24 173.51 1wee n GLY 4 N 0.30 0.54 3.43 3.44 0.00 -1.26 -5.06 105.19 106.59 1wee n GLY 4 Ca -0.16 -0.98 -0.49 0.00 0.00 0.00 0.00 46.02 44.38 1wee n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wee n SER 5 N 0.00 1.66 -4.63 1.61 7.64 -1.26 -4.82 113.62 113.82 1wee n SER 5 Ca 0.00 0.32 -0.43 0.00 1.01 0.00 0.00 58.87 59.77 1wee n SER 5 Cb 0.00 -1.19 -0.03 0.00 -1.01 0.00 0.00 64.21 61.98 1wee n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wee s SER 6 N 7.90 6.17 0.00 6.43 0.01 -1.26 -4.20 113.70 128.75 1wee s SER 6 Ca 1.14 2.11 0.00 0.00 1.31 0.00 0.00 55.95 60.50 1wee s SER 6 Cb -0.94 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 62.76 1wee s SER 6 CO 0.49 -1.35 0.00 0.61 0.41 0.00 0.00 173.24 173.40 1wee n GLY 7 N 4.88 0.33 3.68 3.44 0.00 -1.26 -5.12 105.19 111.13 1wee n GLY 7 Ca 0.22 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 4.21 -0.06 1.61 1.00 -1.26 -4.88 119.30 119.92 1wee s MET 8 Ca 0.00 2.20 -0.03 0.00 0.00 0.00 0.00 55.69 57.86 1wee s MET 8 Cb 0.00 -3.74 -0.10 0.00 0.00 0.00 0.00 34.83 31.00 1wee s MET 8 CO 0.00 -0.74 2.78 0.39 0.00 0.00 0.00 175.02 177.45 1wee n GLU 9 N 6.12 1.62 -1.89 2.03 1.02 -1.26 -4.93 120.64 123.35 1wee n GLU 9 Ca 0.16 -0.76 -0.42 0.00 -0.02 0.00 0.00 57.16 56.12 1wee n GLU 9 Cb 0.42 -1.58 -0.02 0.00 -0.02 0.00 0.00 31.44 30.23 1wee n GLU 9 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1wee s ARG 10 N 0.14 4.19 0.00 3.49 6.06 -1.26 -4.61 118.95 126.96 1wee s ARG 10 Ca 0.37 2.44 0.00 0.00 -2.50 0.00 0.00 55.73 56.04 1wee s ARG 10 Cb 0.19 -3.08 0.00 0.00 0.06 0.00 0.00 34.95 32.12 1wee s ARG 10 CO -0.02 -0.56 0.00 0.41 -2.50 0.00 0.00 175.30 172.63 1wee n GLY 11 N 2.62 0.71 3.66 8.12 0.00 -1.26 -4.96 105.19 114.08 1wee n GLY 11 Ca 0.09 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 1wee n GLY 11 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wee s VAL 12 N 0.00 3.36 0.00 1.61 1.01 -1.26 -4.81 120.40 120.31 1wee s VAL 12 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1wee s VAL 12 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1wee s VAL 12 CO 0.00 -0.04 0.00 -0.67 0.00 0.00 0.00 175.10 174.39 1wee n ASP 13 N 7.30 0.31 -0.34 3.32 -0.08 -1.26 -4.83 116.55 120.97 1wee n ASP 13 Ca 0.18 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.47 1wee n ASP 13 Cb 0.42 0.00 0.06 0.00 2.34 0.00 0.00 41.12 43.94 1wee n ASP 13 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1wee n ASN 14 N -2.73 -0.51 -4.99 1.67 4.05 -1.26 -4.49 115.26 107.00 1wee n ASN 14 Ca 0.00 1.57 -0.19 0.00 0.45 0.00 0.00 54.58 56.40 1wee n ASN 14 Cb 0.32 -0.39 0.02 0.00 1.23 0.00 0.00 39.78 40.96 1wee n ASN 14 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 1wee s TRP 15 N -5.94 2.13 -0.48 1.20 0.52 -1.26 -5.04 118.94 110.07 1wee s TRP 15 Ca -0.13 -0.58 0.03 0.00 0.02 0.00 0.00 56.10 55.44 1wee s TRP 15 Cb 0.20 -2.24 0.46 0.00 -1.15 0.00 0.00 33.47 30.74 1wee s TRP 15 CO 0.66 -0.68 1.65 1.17 0.02 0.00 0.00 176.95 179.77 1wee n LYS 16 N -1.96 3.00 -1.54 4.98 4.81 -1.26 -5.00 118.16 121.18 1wee n LYS 16 Ca 0.10 -3.64 -0.53 0.00 -0.87 0.00 0.00 58.31 53.37 1wee n LYS 16 Cb 0.61 -2.25 -0.06 0.00 0.02 0.00 0.00 35.03 33.35 1wee n LYS 16 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1wee n VAL 17 N -0.86 0.37 -3.46 3.15 0.31 -1.26 -4.29 118.33 112.29 1wee n VAL 17 Ca 0.53 -0.09 0.01 0.00 -0.01 0.00 0.00 64.34 64.78 1wee n VAL 17 Cb 0.84 -0.47 -0.05 0.00 -0.91 0.00 0.00 33.84 33.25 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 0.08 -0.40 0.50 4.52 2.15 -1.05 -4.46 116.67 118.01 1wee s ASP 18 Ca 0.82 0.58 0.04 0.00 0.43 0.00 0.00 52.55 54.42 1wee s ASP 18 Cb -1.04 1.35 0.04 0.00 -0.30 0.00 0.00 42.92 42.97 1wee s ASP 18 CO 0.52 -0.09 0.31 0.00 -0.17 0.00 0.00 175.17 175.75 1wee n LYS 20 N -1.59 1.09 -0.20 0.00 0.00 -1.26 -4.48 118.16 111.72 1wee n LYS 20 Ca -0.05 -0.03 -0.07 0.00 -0.00 0.00 0.00 58.31 58.16 1wee n LYS 20 Cb 0.58 -1.45 0.03 0.00 -0.00 0.00 0.00 35.03 34.19 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 -1.04 1.08 3.61 0.00 0.00 -1.26 -5.11 105.19 102.47 1wee n GLY 22 Ca 0.03 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 3.14 -0.14 2.61 2.01 -1.26 -4.84 115.64 117.16 1wee s THR 23 Ca 0.00 0.15 -0.05 0.00 0.31 0.00 0.00 61.69 62.10 1wee s THR 23 Cb 0.00 -3.17 -0.25 0.00 0.01 0.00 0.00 72.50 69.10 1wee s THR 23 CO 0.00 -0.09 0.27 2.29 -0.69 0.00 0.00 174.62 176.39 1wee n LYS 24 N 8.45 0.74 -4.16 4.92 2.85 -1.26 -1.30 118.16 128.41 1wee n LYS 24 Ca 0.26 0.24 -0.27 0.00 -1.05 0.00 0.00 58.31 57.50 1wee n LYS 24 Cb 0.45 -1.68 -0.07 0.00 -0.65 0.00 0.00 35.03 33.08 1wee n LYS 24 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1wee s ASP 25 N -6.94 5.02 -0.04 -5.58 1.47 -1.26 -3.03 116.67 106.31 1wee s ASP 25 Ca -0.24 -0.29 -0.33 0.00 1.18 0.00 0.00 52.55 52.87 1wee s ASP 25 Cb 0.07 -1.16 -0.11 0.00 -0.34 0.00 0.00 42.92 41.38 1wee s ASP 25 CO 0.74 0.10 1.88 -0.67 0.68 0.00 0.00 175.17 177.90 1wee n ASP 26 N -0.09 3.62 -0.03 2.11 -0.08 -1.26 -4.88 116.55 115.93 1wee n ASP 26 Ca -0.09 0.96 -0.04 0.00 -1.51 0.00 0.00 54.79 54.11 1wee n ASP 26 Cb 0.55 -1.42 -0.01 0.00 2.34 0.00 0.00 41.12 42.57 1wee n ASP 26 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1wee n ASP 27 N 6.59 1.01 -1.52 1.67 2.03 -1.26 -5.01 116.55 120.06 1wee n ASP 27 Ca 0.21 0.17 -0.00 0.00 0.52 0.00 0.00 54.79 55.69 1wee n ASP 27 Cb 0.32 -0.54 0.01 0.00 -0.72 0.00 0.00 41.12 40.20 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 1.92 -0.56 3.25 0.27 0.00 -1.26 -5.16 105.19 103.64 1wee n GLY 28 Ca -0.06 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 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 0.02 1.05 0.48 1.61 2.02 -1.26 -5.14 118.70 117.47 1wee s GLU 29 Ca 0.01 -1.42 -0.21 0.00 0.02 0.00 0.00 54.97 53.37 1wee s GLU 29 Cb 0.05 -0.65 -0.08 0.00 0.10 0.00 0.00 34.13 33.56 1wee s GLU 29 CO -0.02 0.08 1.08 0.50 0.02 0.00 0.00 175.26 176.93 1wee s ARG 30 N -3.61 3.74 0.21 1.61 6.06 -1.26 -5.00 118.95 120.70 1wee s ARG 30 Ca 0.16 1.51 -0.11 0.00 -2.50 0.00 0.00 55.73 54.78 1wee s ARG 30 Cb 0.02 -2.19 -0.01 0.00 0.06 0.00 0.00 34.95 32.83 1wee s ARG 30 CO 0.01 -0.50 0.38 -1.64 -2.50 0.00 0.00 175.30 171.05 1wee s MET 31 N -3.05 1.36 -0.02 5.12 -1.94 -1.26 -2.30 119.30 117.22 1wee s MET 31 Ca 0.67 -1.22 -0.03 0.00 -1.71 0.00 0.00 55.69 53.39 1wee s MET 31 Cb -0.21 0.42 0.00 0.00 2.01 0.00 0.00 34.83 37.06 1wee s MET 31 CO 0.25 -0.54 0.08 -0.48 -0.01 0.00 0.00 175.02 174.32 1wee s LEU 32 N -3.00 1.72 0.29 -0.03 2.34 -1.12 -4.86 118.68 114.02 1wee s LEU 32 Ca 0.21 0.06 -0.29 0.00 0.06 0.00 0.00 54.13 54.17 1wee s LEU 32 Cb 0.01 0.32 -0.09 0.00 -0.56 0.00 0.00 46.19 45.87 1wee s LEU 32 CO 0.05 -0.10 1.05 0.00 -1.06 0.00 0.00 176.35 176.29 1wee s ALA 33 N -0.29 3.33 -0.42 1.48 0.00 -1.26 -2.77 121.76 121.83 1wee s ALA 33 Ca -0.04 0.78 -0.23 0.00 0.00 0.00 0.00 51.96 52.48 1wee s ALA 33 Cb -0.02 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.83 1wee s ALA 33 CO 0.00 -0.06 0.79 0.00 0.00 0.00 0.00 175.76 176.48 1wee h ASP 35 N 8.80 0.31 0.00 0.00 3.58 -1.80 0.63 116.42 127.94 1wee h ASP 35 Ca -0.25 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.32 1wee h ASP 35 Cb 1.09 0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.23 1wee h ASP 35 CO 0.94 -0.10 0.00 0.61 -2.88 0.00 0.00 179.24 177.81 1wee n GLY 36 N -1.50 -2.87 0.14 -0.78 0.00 -1.25 -4.57 105.19 94.36 1wee n GLY 36 Ca 0.33 0.15 -0.28 0.00 0.00 0.00 0.00 46.02 46.22 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 1.38 0.61 3.07 0.00 0.00 0.22 -4.94 105.19 105.52 1wee n GLY 38 Ca -0.54 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.58 1.01 0.03 1.61 1.01 -1.26 -4.64 120.40 117.58 1wee s VAL 39 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 1wee s VAL 39 Cb 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1wee s VAL 39 CO 0.00 0.29 1.09 0.26 0.00 0.00 0.00 175.10 176.74 1wee s TRP 40 N -0.10 3.55 -0.01 5.22 0.52 -1.26 -2.59 118.94 124.28 1wee s TRP 40 Ca 0.01 1.50 0.03 0.00 0.02 0.00 0.00 56.10 57.66 1wee s TRP 40 Cb -0.07 -3.27 -0.01 0.00 -1.15 0.00 0.00 33.47 28.97 1wee s TRP 40 CO 0.00 -0.64 -0.09 -1.01 0.02 0.00 0.00 176.95 175.23 1wee s HIS 41 N 1.04 0.81 -0.47 -1.98 3.76 -1.11 -2.54 115.29 114.79 1wee s HIS 41 Ca 0.55 -0.16 -0.30 0.00 -0.15 0.00 0.00 55.06 55.01 1wee s HIS 41 Cb -0.25 -0.52 -0.10 0.00 1.11 0.00 0.00 32.58 32.82 1wee s HIS 41 CO 0.29 -0.01 2.36 0.72 -0.85 0.00 0.00 174.74 177.24 1wee n HIS 42 N 2.83 1.46 -0.33 1.40 8.25 -1.26 -2.80 115.22 124.76 1wee n HIS 42 Ca -0.14 0.16 0.24 0.00 -0.26 0.00 0.00 57.72 57.72 1wee n HIS 42 Cb 0.57 -2.59 0.46 0.00 1.12 0.00 0.00 29.99 29.55 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 7.47 0.06 0.44 1.59 1.35 -1.70 0.15 112.91 122.27 1wee h THR 43 Ca -0.25 -0.02 -0.02 0.00 -0.55 0.00 0.00 66.41 65.57 1wee h THR 43 Cb 1.28 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1wee h THR 43 CO 1.11 0.01 -0.21 0.03 -0.25 0.00 0.00 175.52 176.21 1wee h ARG 44 N 0.05 -0.57 -0.75 4.72 2.47 -1.40 0.12 114.38 119.03 1wee h ARG 44 Ca 0.74 0.04 0.17 0.00 -1.26 0.00 0.00 59.98 59.67 1wee h ARG 44 Cb 1.78 0.13 -0.13 0.00 -1.65 0.00 0.00 29.97 30.10 1wee h ARG 44 CO -0.79 -0.27 0.07 0.00 0.56 0.00 0.00 179.97 179.54 1wee h ILE 46 N 0.15 1.28 0.00 0.00 3.07 -1.16 -3.48 117.51 117.37 1wee h ILE 46 Ca 0.42 -1.44 0.00 0.00 1.55 0.00 0.00 64.86 65.39 1wee h ILE 46 Cb 0.74 1.41 0.00 0.00 -0.27 0.00 0.00 36.82 38.71 1wee h ILE 46 CO -0.62 0.47 0.00 0.61 -1.05 0.00 0.00 178.15 177.57 1wee n GLY 47 N 0.07 0.65 3.58 0.16 0.00 0.21 -5.11 105.19 104.75 1wee n GLY 47 Ca -0.02 0.10 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 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 2.05 -3.48 -0.61 -0.00 -0.01 -4.63 119.36 112.68 1wee n ILE 48 Ca 0.00 -0.50 -0.20 0.00 -0.00 0.00 0.00 62.75 62.05 1wee n ILE 48 Cb 0.00 -0.97 -0.02 0.00 -0.00 0.00 0.00 39.64 38.65 1wee n ILE 48 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 1wee s ASN 49 N -0.62 5.19 0.24 4.38 2.47 -1.26 -1.16 114.94 124.17 1wee s ASN 49 Ca 0.60 -0.66 -0.05 0.00 0.42 0.00 0.00 52.86 53.17 1wee s ASN 49 Cb -0.68 -0.62 0.42 0.00 -1.45 0.00 0.00 41.25 38.92 1wee s ASN 49 CO 0.59 -0.65 1.75 -1.13 -3.72 0.00 0.00 177.10 173.94 1wee h ASN 50 N 0.97 0.38 0.72 -4.21 -1.24 -1.94 -2.78 115.58 107.48 1wee h ASN 50 Ca -0.41 0.09 -0.04 0.00 0.71 0.00 0.00 56.30 56.65 1wee h ASN 50 Cb 1.27 0.04 0.01 0.00 0.73 0.00 0.00 38.32 40.36 1wee h ASN 50 CO 0.55 0.18 -0.35 0.00 -1.29 0.00 0.00 177.43 176.52 1wee h ALA 51 N 1.51 -0.97 -1.38 1.57 0.00 -2.02 -3.45 119.26 114.52 1wee h ALA 51 Ca 0.40 -0.22 -0.49 0.00 0.00 0.00 0.00 54.91 54.60 1wee h ALA 51 Cb 0.54 0.37 0.25 0.00 0.00 0.00 0.00 17.79 18.95 1wee h ALA 51 CO -0.35 -0.92 -2.03 -0.25 0.00 0.00 0.00 179.25 175.70 1wee n ASP 52 N -5.43 -3.07 -4.93 0.00 8.00 -1.05 -5.00 116.55 105.07 1wee n ASP 52 Ca -0.13 -0.01 -0.23 0.00 0.71 0.00 0.00 54.79 55.14 1wee n ASP 52 Cb 0.39 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1wee n ASP 52 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wee s ALA 53 N -2.09 4.39 -0.10 2.24 0.00 -1.26 -4.77 121.76 120.17 1wee s ALA 53 Ca 0.44 -1.66 -0.13 0.00 0.00 0.00 0.00 51.96 50.60 1wee s ALA 53 Cb -0.01 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.06 1wee s ALA 53 CO 0.68 -0.48 0.33 -0.51 0.00 0.00 0.00 175.76 175.78 1wee s LEU 54 N -4.33 4.35 0.97 0.00 1.43 -1.26 -4.92 118.68 114.92 1wee s LEU 54 Ca 0.45 0.68 -0.12 0.00 -1.03 0.00 0.00 54.13 54.11 1wee s LEU 54 Cb -0.03 -2.43 0.17 0.00 0.03 0.00 0.00 46.19 43.93 1wee s LEU 54 CO 0.28 0.21 1.09 -2.16 0.23 0.00 0.00 176.35 176.00 1wee s PRO 55 N -0.26 0.64 0.12 1.29 0.04 -1.26 -4.97 135.00 130.59 1wee s PRO 55 Ca 0.20 0.60 -0.14 0.00 0.04 0.00 0.00 61.00 61.69 1wee s PRO 55 Cb -0.14 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 1wee s PRO 55 CO 0.08 -2.61 1.50 0.77 0.04 0.00 0.00 177.00 176.78 1wee h SER 56 N -1.81 0.79 -3.64 6.66 0.02 -2.03 -3.44 113.55 110.10 1wee h SER 56 Ca -0.53 -0.40 -0.26 0.00 -0.84 0.00 0.00 61.79 59.76 1wee h SER 56 Cb 1.32 -0.22 -0.31 0.00 0.14 0.00 0.00 62.40 63.33 1wee h SER 56 CO 0.57 1.01 -0.73 -1.59 -1.14 0.00 0.00 176.83 174.95 1wee s LYS 57 N -4.66 0.00 -0.02 3.45 -2.85 -1.26 -4.99 119.74 109.42 1wee s LYS 57 Ca -0.12 0.08 0.00 0.00 -1.00 0.00 0.00 55.97 54.93 1wee s LYS 57 Cb 0.10 -0.13 0.01 0.00 -2.06 0.00 0.00 37.83 35.76 1wee s LYS 57 CO 0.82 -0.07 -0.01 0.12 0.10 0.00 0.00 175.35 176.32 1wee s PHE 58 N 0.48 0.22 0.02 1.78 2.19 -1.26 -5.01 117.98 116.40 1wee s PHE 58 Ca -0.04 0.00 0.08 0.00 0.33 0.00 0.00 56.93 57.30 1wee s PHE 58 Cb -0.06 -0.26 -0.03 0.00 -1.31 0.00 0.00 43.02 41.37 1wee s PHE 58 CO -0.01 -0.07 -0.22 -0.51 1.83 0.00 0.00 175.22 176.24 1wee s LEU 59 N 0.55 2.36 0.51 6.12 2.01 -1.26 -2.07 118.68 126.90 1wee s LEU 59 Ca -0.05 -0.47 -0.11 0.00 0.01 0.00 0.00 54.13 53.51 1wee s LEU 59 Cb -0.08 -1.40 -0.05 0.00 0.01 0.00 0.00 46.19 44.66 1wee s LEU 59 CO -0.01 0.28 0.90 0.00 1.01 0.00 0.00 176.35 178.52 1wee n PHE 61 N -2.01 0.34 0.34 0.00 3.01 -1.26 -0.07 117.46 117.80 1wee n PHE 61 Ca 0.04 0.82 -0.14 0.00 1.01 0.00 0.00 57.45 59.18 1wee n PHE 61 Cb 0.54 -0.95 -0.06 0.00 -0.01 0.00 0.00 39.48 38.99 1wee n PHE 61 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1wee h ARG 62 N 0.00 -0.85 -0.89 -1.08 2.43 -2.01 -3.18 114.38 108.79 1wee h ARG 62 Ca 0.37 0.06 0.24 0.00 -0.81 0.00 0.00 59.98 59.84 1wee h ARG 62 Cb 0.68 0.19 -0.14 0.00 -0.42 0.00 0.00 29.97 30.28 1wee h ARG 62 CO -0.66 -0.57 0.26 0.00 -1.51 0.00 0.00 179.97 177.48 1wee h ILE 64 N 0.21 0.42 0.04 0.00 2.04 -0.58 0.24 117.51 119.87 1wee h ILE 64 Ca 0.57 -0.07 -0.36 0.00 1.00 0.00 0.00 64.86 66.00 1wee h ILE 64 Cb 1.17 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 1wee h ILE 64 CO -0.66 0.04 -2.05 -0.62 0.00 0.00 0.00 178.15 174.85 1wee n GLU 65 N -4.46 0.65 -0.32 2.37 -0.58 0.21 -4.32 120.64 114.19 1wee n GLU 65 Ca 0.27 0.31 0.12 0.00 -0.42 0.00 0.00 57.16 57.45 1wee n GLU 65 Cb 1.11 -1.63 0.34 0.00 -0.57 0.00 0.00 31.44 30.69 1wee n GLU 65 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1wee h LEU 66 N -0.44 0.73 -1.97 -4.62 5.85 0.08 -3.46 115.31 111.48 1wee h LEU 66 Ca -0.51 0.06 -0.29 0.00 0.84 0.00 0.00 57.88 57.99 1wee h LEU 66 Cb 1.73 -0.08 0.18 0.00 0.37 0.00 0.00 40.66 42.87 1wee h LEU 66 CO -0.14 0.33 -0.79 -1.20 -0.34 0.00 0.00 178.44 176.30 1wee n SER 67 N -4.64 -3.83 0.00 1.25 7.64 0.75 -4.79 113.62 110.00 1wee n SER 67 Ca 0.20 -0.64 0.00 0.00 1.01 0.00 0.00 58.87 59.44 1wee n SER 67 Cb 0.51 -5.08 0.00 0.00 -1.01 0.00 0.00 64.21 58.64 1wee n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wee n GLY 68 N -1.17 -0.14 0.00 0.23 0.00 -1.26 -4.71 105.19 98.13 1wee n GLY 68 Ca -0.20 -1.40 0.08 0.00 0.00 0.00 0.00 46.02 44.50 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 0.65 0.49 -1.52 1.61 -0.04 -1.26 -4.78 135.00 130.14 1wee n PRO 69 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 1wee n PRO 69 Cb 0.00 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.84 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 -1.00 0.63 -0.04 3.54 3.41 -1.26 -4.76 113.62 114.15 1wee n SER 70 Ca 0.12 -0.29 -0.13 0.00 -0.26 0.00 0.00 58.87 58.30 1wee n SER 70 Cb 0.05 -1.09 -0.11 0.00 -0.26 0.00 0.00 64.21 62.80 1wee n SER 70 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1wee h SER 71 N 13.84 -0.01 -0.01 4.04 4.64 -2.00 -3.52 113.55 130.53 1wee h SER 71 Ca -0.08 -0.73 0.00 0.00 -0.47 0.00 0.00 61.79 60.51 1wee h SER 71 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1wee h SER 71 CO 1.34 0.74 0.00 0.61 -0.87 0.00 0.00 176.83 178.65