#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1woc s ASN 3 N 0.00 0.22 -0.12 8.00 3.84 -1.26 -5.12 114.94 120.50 1woc s ASN 3 Ca 0.00 -0.71 -0.04 0.00 0.21 0.00 0.00 52.86 52.32 1woc s ASN 3 Cb 0.00 1.13 0.06 0.00 -0.55 0.00 0.00 41.25 41.89 1woc s ASN 3 CO 0.00 -0.30 0.24 -0.60 -2.79 0.00 0.00 177.10 173.65 1woc s ARG 4 N 2.19 0.13 -0.05 0.43 3.52 -1.26 -4.36 118.95 119.54 1woc s ARG 4 Ca 0.12 0.71 0.05 0.00 -0.13 0.00 0.00 55.73 56.48 1woc s ARG 4 Cb -0.12 -0.08 -0.02 0.00 -1.56 0.00 0.00 34.95 33.17 1woc s ARG 4 CO -0.20 -0.29 -0.22 -1.17 -0.81 0.00 0.00 175.30 172.61 1woc s LEU 5 N 2.36 2.27 -0.20 -0.88 2.96 0.11 -4.96 118.68 120.34 1woc s LEU 5 Ca 0.01 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 1woc s LEU 5 Cb -0.12 -1.43 0.04 0.00 0.50 0.00 0.00 46.19 45.19 1woc s LEU 5 CO -0.08 0.28 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.44 1woc s VAL 6 N -0.36 1.61 -0.03 1.68 1.01 -1.26 -1.01 120.40 122.05 1woc s VAL 6 Ca 0.03 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1woc s VAL 6 Cb -0.12 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.57 1woc s VAL 6 CO 0.02 0.15 -0.04 -0.22 0.00 0.00 0.00 175.10 175.01 1woc s LEU 7 N 1.41 1.48 0.19 3.92 2.96 0.28 -4.96 118.68 123.95 1woc s LEU 7 Ca -0.01 -0.09 0.06 0.00 -0.22 0.00 0.00 54.13 53.86 1woc s LEU 7 Cb -0.16 -0.35 -0.04 0.00 0.50 0.00 0.00 46.19 46.14 1woc s LEU 7 CO -0.08 -0.03 0.09 -0.94 -1.32 0.00 0.00 176.35 174.07 1woc s SER 8 N 0.65 5.22 0.00 3.68 1.04 -1.26 -0.39 113.70 122.64 1woc s SER 8 Ca -0.08 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1woc s SER 8 Cb -0.11 -1.27 0.00 0.00 0.10 0.00 0.00 66.02 64.74 1woc s SER 8 CO -0.00 0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.88 1woc n GLY 9 N -0.43 -0.88 3.21 7.32 0.00 0.14 -4.47 105.19 110.08 1woc n GLY 9 Ca -0.09 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 1woc n GLY 9 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1woc s THR 10 N -3.00 1.96 -0.07 2.61 -1.32 -0.17 -1.20 115.64 114.45 1woc s THR 10 Ca 0.00 -0.97 -0.29 0.00 -1.21 0.00 0.00 61.69 59.21 1woc s THR 10 Cb 0.00 -1.69 -0.07 0.00 -1.51 0.00 0.00 72.50 69.23 1woc s THR 10 CO 0.00 0.54 2.02 -0.69 -2.21 0.00 0.00 174.62 174.28 1woc s VAL 11 N 0.26 3.08 -1.84 5.08 1.01 -0.57 -1.34 120.40 126.09 1woc s VAL 11 Ca -0.15 0.10 0.19 0.00 0.00 0.00 0.00 61.98 62.11 1woc s VAL 11 Cb -0.17 -3.08 0.42 0.00 0.00 0.00 0.00 36.38 33.55 1woc s VAL 11 CO 0.07 -0.03 1.34 0.00 0.00 0.00 0.00 175.10 176.49 1woc s ARG 13 N -1.18 0.33 0.24 0.00 3.52 -1.24 -4.95 118.95 115.67 1woc s ARG 13 Ca 0.35 0.72 -0.31 0.00 -0.13 0.00 0.00 55.73 56.36 1woc s ARG 13 Cb 0.19 -0.04 -0.14 0.00 -1.56 0.00 0.00 34.95 33.41 1woc s ARG 13 CO 0.26 -0.17 1.27 0.00 -0.81 0.00 0.00 175.30 175.85 1woc n ALA 14 N 4.34 0.44 -1.77 6.12 0.00 -1.26 -3.84 120.51 124.54 1woc n ALA 14 Ca -0.23 0.41 -0.41 0.00 0.00 0.00 0.00 53.44 53.21 1woc n ALA 14 Cb 0.54 -2.17 -0.01 0.00 0.00 0.00 0.00 19.45 17.81 1woc n ALA 14 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1woc s PRO 15 N -0.77 4.13 -0.18 0.00 0.02 -1.26 -4.74 135.00 132.18 1woc s PRO 15 Ca 0.66 2.57 -0.06 0.00 0.02 0.00 0.00 61.00 64.19 1woc s PRO 15 Cb -0.70 -3.02 -0.03 0.00 0.02 0.00 0.00 34.50 30.77 1woc s PRO 15 CO 0.54 -0.62 0.02 -0.51 -0.33 0.00 0.00 177.00 176.10 1woc s LEU 16 N -0.62 3.49 0.03 -5.54 1.02 0.23 -4.91 118.68 112.37 1woc s LEU 16 Ca 0.62 -0.07 0.05 0.00 0.02 0.00 0.00 54.13 54.75 1woc s LEU 16 Cb -0.47 -1.87 -0.03 0.00 0.02 0.00 0.00 46.19 43.83 1woc s LEU 16 CO 0.49 0.13 -0.12 -0.13 0.02 0.00 0.00 176.35 176.74 1woc s ARG 17 N 0.62 2.30 0.16 1.70 0.52 -1.26 -0.61 118.95 122.37 1woc s ARG 17 Ca 0.01 -0.87 -0.19 0.00 -0.52 0.00 0.00 55.73 54.16 1woc s ARG 17 Cb -0.14 -2.34 0.05 0.00 0.52 0.00 0.00 34.95 33.04 1woc s ARG 17 CO 0.02 0.57 0.51 0.15 0.02 0.00 0.00 175.30 176.56 1woc s LYS 18 N -1.49 1.23 -0.10 3.54 1.02 -0.22 -5.01 119.74 118.71 1woc s LYS 18 Ca 0.16 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.49 1woc s LYS 18 Cb -0.11 0.53 0.02 0.00 -0.52 0.00 0.00 37.83 37.75 1woc s LYS 18 CO 0.07 -0.51 -0.10 0.08 -0.92 0.00 0.00 175.35 173.97 1woc s VAL 19 N -3.80 1.10 0.82 3.17 1.01 -1.26 0.11 120.40 121.55 1woc s VAL 19 Ca 0.04 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 1woc s VAL 19 Cb 0.00 -1.07 0.09 0.00 0.00 0.00 0.00 36.38 35.40 1woc s VAL 19 CO -0.10 0.37 1.11 -0.94 0.00 0.00 0.00 175.10 175.55 1woc s SER 20 N 1.37 3.90 0.37 3.32 1.04 0.13 -4.82 113.70 119.01 1woc s SER 20 Ca -0.01 1.97 0.17 0.00 0.48 0.00 0.00 55.95 58.56 1woc s SER 20 Cb -0.14 -2.54 1.10 0.00 0.10 0.00 0.00 66.02 64.55 1woc s SER 20 CO -0.05 -2.44 1.71 -0.65 0.98 0.00 0.00 173.24 172.79 1woc h PRO 21 N -1.39 0.36 0.00 4.02 0.11 -2.01 0.53 132.00 133.62 1woc h PRO 21 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1woc h PRO 21 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1woc h PRO 21 CO 0.48 0.24 0.00 -1.13 -0.21 0.00 0.00 178.00 177.37 1woc n SER 22 N -4.81 0.59 0.00 -2.05 3.41 -1.26 -4.90 113.62 104.60 1woc n SER 22 Ca 0.29 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.49 1woc n SER 22 Cb 0.96 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1woc n SER 22 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1woc n GLY 23 N 0.76 0.74 3.70 5.00 0.00 0.18 -5.09 105.19 110.49 1woc n GLY 23 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1woc n GLY 23 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1woc s ILE 24 N -2.00 4.37 0.27 -0.61 -4.36 -1.25 -4.72 121.20 112.90 1woc s ILE 24 Ca 0.00 1.69 -0.26 0.00 -0.26 0.00 0.00 60.65 61.82 1woc s ILE 24 Cb 0.00 -4.08 -0.09 0.00 1.25 0.00 0.00 42.46 39.53 1woc s ILE 24 CO 0.00 0.06 0.90 -2.16 0.24 0.00 0.00 174.94 173.97 1woc s PRO 25 N 1.69 4.61 -0.03 0.37 0.04 -1.26 -0.69 135.00 139.73 1woc s PRO 25 Ca 0.55 1.29 0.02 0.00 0.04 0.00 0.00 61.00 62.90 1woc s PRO 25 Cb -0.24 -2.97 0.01 0.00 0.04 0.00 0.00 34.50 31.33 1woc s PRO 25 CO 0.24 0.38 -0.09 -1.01 0.04 0.00 0.00 177.00 176.57 1woc s HIS 26 N -1.45 0.95 -0.12 0.56 3.76 0.12 -1.73 115.29 117.38 1woc s HIS 26 Ca 0.46 -0.25 -0.01 0.00 -0.15 0.00 0.00 55.06 55.11 1woc s HIS 26 Cb -0.21 -0.70 0.03 0.00 1.11 0.00 0.00 32.58 32.82 1woc s HIS 26 CO 0.26 -0.12 -0.07 0.00 -0.85 0.00 0.00 174.74 173.96 1woc s GLN 28 N 1.71 2.28 0.19 0.00 -0.21 0.22 -0.30 119.66 123.55 1woc s GLN 28 Ca 0.04 -0.91 -0.03 0.00 0.02 0.00 0.00 55.36 54.49 1woc s GLN 28 Cb -0.13 -2.10 0.01 0.00 1.00 0.00 0.00 33.01 31.79 1woc s GLN 28 CO -0.08 0.50 0.30 1.97 -2.12 0.00 0.00 175.29 175.86 1woc n PHE 29 N 2.61 -1.15 -4.84 0.91 -1.74 -0.37 0.77 117.46 113.65 1woc n PHE 29 Ca -0.17 -1.18 -0.26 0.00 -0.56 0.00 0.00 57.45 55.28 1woc n PHE 29 Cb 0.51 0.34 -0.16 0.00 1.52 0.00 0.00 39.48 41.69 1woc n PHE 29 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1woc s VAL 30 N -2.61 1.46 -0.24 1.97 1.01 -1.25 -0.37 120.40 120.37 1woc s VAL 30 Ca 0.14 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 1woc s VAL 30 Cb -0.01 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 1woc s VAL 30 CO 0.10 0.42 -0.00 -0.22 0.00 0.00 0.00 175.10 175.40 1woc s LEU 31 N 0.14 3.19 -0.22 3.92 2.96 -1.26 -1.20 118.68 126.20 1woc s LEU 31 Ca -0.06 -0.46 -0.15 0.00 -0.22 0.00 0.00 54.13 53.24 1woc s LEU 31 Cb -0.13 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 1woc s LEU 31 CO 0.03 -0.06 0.36 -0.70 -1.32 0.00 0.00 176.35 174.66 1woc s GLU 32 N 1.49 4.14 0.01 1.98 2.12 -0.45 -4.16 118.70 123.82 1woc s GLU 32 Ca 0.05 0.12 0.07 0.00 0.36 0.00 0.00 54.97 55.56 1woc s GLU 32 Cb -0.15 -3.55 -0.03 0.00 0.26 0.00 0.00 34.13 30.66 1woc s GLU 32 CO -0.01 -0.06 -0.20 -1.58 -0.54 0.00 0.00 175.26 172.87 1woc s HIS 33 N 1.38 2.52 -0.09 5.30 5.65 0.62 -1.00 115.29 129.69 1woc s HIS 33 Ca 0.17 -0.28 -0.06 0.00 0.25 0.00 0.00 55.06 55.14 1woc s HIS 33 Cb -0.15 -1.50 0.03 0.00 -1.18 0.00 0.00 32.58 29.79 1woc s HIS 33 CO 0.08 0.17 0.21 1.03 -0.65 0.00 0.00 174.74 175.58 1woc s ARG 34 N -1.11 0.20 -0.13 2.88 0.52 -1.26 -1.97 118.95 118.08 1woc s ARG 34 Ca 0.13 0.41 -0.33 0.00 -0.52 0.00 0.00 55.73 55.42 1woc s ARG 34 Cb -0.10 -0.04 0.13 0.00 0.52 0.00 0.00 34.95 35.46 1woc s ARG 34 CO 0.03 -0.11 1.13 -1.54 0.02 0.00 0.00 175.30 174.82 1woc s SER 35 N 0.80 -0.19 -0.26 0.23 1.04 -0.42 -5.01 113.70 109.88 1woc s SER 35 Ca -0.06 -0.02 -0.11 0.00 0.48 0.00 0.00 55.95 56.25 1woc s SER 35 Cb -0.07 0.21 -0.05 0.00 0.10 0.00 0.00 66.02 66.21 1woc s SER 35 CO -0.05 -0.35 0.18 -0.69 0.98 0.00 0.00 173.24 173.32 1woc s VAL 36 N -2.62 5.33 0.26 5.02 1.01 -1.26 -0.37 120.40 127.78 1woc s VAL 36 Ca 0.09 0.19 0.10 0.00 0.00 0.00 0.00 61.98 62.35 1woc s VAL 36 Cb -0.01 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1woc s VAL 36 CO -0.06 0.30 -0.02 -1.10 0.00 0.00 0.00 175.10 174.22 1woc s GLN 37 N 1.41 2.25 -0.27 2.72 -1.52 -0.74 -4.96 119.66 118.54 1woc s GLN 37 Ca 0.08 -1.44 -0.07 0.00 -1.95 0.00 0.00 55.36 51.98 1woc s GLN 37 Cb -0.15 -2.14 -0.01 0.00 -0.22 0.00 0.00 33.01 30.49 1woc s GLN 37 CO 0.08 0.37 0.08 -2.00 -0.25 0.00 0.00 175.29 173.57 1woc s GLU 38 N -3.63 3.44 -0.48 2.91 2.12 -1.26 -4.23 118.70 117.57 1woc s GLU 38 Ca 0.31 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 55.01 1woc s GLU 38 Cb -0.06 -3.37 0.13 0.00 0.26 0.00 0.00 34.13 31.08 1woc s GLU 38 CO 0.19 -0.30 0.25 -2.00 -0.54 0.00 0.00 175.26 172.86 1woc s GLU 39 N 1.58 2.03 0.00 4.30 2.12 -1.26 -4.67 118.70 122.80 1woc s GLU 39 Ca 0.05 -2.20 0.00 0.00 0.36 0.00 0.00 54.97 53.18 1woc s GLU 39 Cb -0.16 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.74 1woc s GLU 39 CO 0.04 -1.08 0.00 0.00 -0.54 0.00 0.00 175.26 173.68 1woc n ALA 40 N 3.90 0.00 0.00 6.30 0.00 -1.26 -3.83 120.51 125.62 1woc n ALA 40 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1woc n ALA 40 Cb 0.39 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1woc n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1woc n GLY 41 N -0.48 0.77 3.69 0.00 0.00 -1.26 -5.16 105.19 102.75 1woc n GLY 41 Ca 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 46.02 45.38 1woc n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1woc s PHE 42 N -0.26 -0.08 0.00 1.61 5.99 -1.25 -5.12 117.98 118.88 1woc s PHE 42 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 56.93 56.81 1woc s PHE 42 Cb 0.00 0.59 0.00 0.00 0.00 0.00 0.00 43.02 43.61 1woc s PHE 42 CO 0.00 -0.53 0.00 1.58 -0.00 0.00 0.00 175.22 176.27 1woc n HIS 43 N -0.49 0.00 -1.68 10.12 -0.00 -1.26 -4.07 115.22 117.83 1woc n HIS 43 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.64 1woc n HIS 43 Cb 0.62 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.60 1woc n HIS 43 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 1woc n ARG 44 N 0.00 -2.12 -3.40 1.57 3.00 -1.26 -3.91 116.66 110.54 1woc n ARG 44 Ca 0.00 1.84 -0.44 0.00 -0.00 0.00 0.00 57.85 59.26 1woc n ARG 44 Cb 0.00 -2.40 -0.08 0.00 0.00 0.00 0.00 32.46 29.97 1woc n ARG 44 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 1woc s GLN 45 N -1.27 2.99 -0.03 -0.14 2.00 -1.26 -1.79 119.66 120.17 1woc s GLN 45 Ca -0.03 -1.20 -0.23 0.00 -2.00 0.00 0.00 55.36 51.89 1woc s GLN 45 Cb 0.00 -4.08 -0.04 0.00 0.80 0.00 0.00 33.01 29.69 1woc s GLN 45 CO 0.09 -0.94 0.70 0.00 -0.50 0.00 0.00 175.29 174.64 1woc s ALA 46 N 1.73 3.37 -0.10 1.58 0.00 0.51 -4.96 121.76 123.88 1woc s ALA 46 Ca 0.05 0.15 -0.18 0.00 0.00 0.00 0.00 51.96 51.99 1woc s ALA 46 Cb -0.22 -2.93 0.04 0.00 0.00 0.00 0.00 23.12 20.01 1woc s ALA 46 CO 0.08 -0.02 0.44 -0.46 0.00 0.00 0.00 175.76 175.80 1woc s TRP 47 N 0.42 -0.41 -0.15 0.00 -0.00 -1.26 -1.30 118.94 116.24 1woc s TRP 47 Ca 0.37 0.87 -0.30 0.00 -0.00 0.00 0.00 56.10 57.03 1woc s TRP 47 Cb -0.18 0.18 0.13 0.00 -0.00 0.00 0.00 33.47 33.60 1woc s TRP 47 CO 0.19 -0.35 1.05 0.00 -0.00 0.00 0.00 176.95 177.84 1woc s GLN 49 N -1.65 2.11 0.03 0.00 -0.21 -1.26 -0.27 119.66 118.40 1woc s GLN 49 Ca 0.02 -1.70 0.04 0.00 0.02 0.00 0.00 55.36 53.75 1woc s GLN 49 Cb -0.01 -1.97 -0.02 0.00 1.00 0.00 0.00 33.01 32.02 1woc s GLN 49 CO -0.02 0.17 -0.13 -2.14 -2.12 0.00 0.00 175.29 171.05 1woc s PRO 51 N -3.71 0.89 -0.02 2.91 0.02 -1.26 -4.84 135.00 128.98 1woc s PRO 51 Ca 0.34 -0.67 0.01 0.00 0.02 0.00 0.00 61.00 60.71 1woc s PRO 51 Cb -0.01 -0.87 0.01 0.00 0.02 0.00 0.00 34.50 33.65 1woc s PRO 51 CO 0.19 0.22 -0.04 0.08 -0.33 0.00 0.00 177.00 177.12 1woc s VAL 52 N -0.74 0.43 -0.04 3.83 1.01 0.50 -1.16 120.40 124.23 1woc s VAL 52 Ca 0.01 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.88 1woc s VAL 52 Cb -0.07 -0.42 -0.00 0.00 0.00 0.00 0.00 36.38 35.89 1woc s VAL 52 CO 0.01 0.16 -0.16 0.27 0.00 0.00 0.00 175.10 175.37 1woc s ILE 53 N 0.37 1.35 -0.27 2.22 -5.25 -0.82 -1.24 121.20 117.56 1woc s ILE 53 Ca -0.04 -0.68 0.00 0.00 -0.99 0.00 0.00 60.65 58.94 1woc s ILE 53 Cb -0.08 -1.15 0.05 0.00 2.95 0.00 0.00 42.46 44.23 1woc s ILE 53 CO -0.00 0.39 -0.07 -0.69 -1.79 0.00 0.00 174.94 172.78 1woc s VAL 54 N -0.03 2.57 0.03 8.37 1.01 0.59 -1.63 120.40 131.30 1woc s VAL 54 Ca -0.02 -1.42 0.05 0.00 0.00 0.00 0.00 61.98 60.60 1woc s VAL 54 Cb -0.10 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 1woc s VAL 54 CO 0.01 0.01 -0.13 -0.44 0.00 0.00 0.00 175.10 174.55 1woc s SER 55 N 1.20 4.18 0.00 3.32 0.01 -1.26 -1.44 113.70 119.71 1woc s SER 55 Ca -0.06 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 56.90 1woc s SER 55 Cb -0.19 -0.82 0.00 0.00 0.21 0.00 0.00 66.02 65.22 1woc s SER 55 CO -0.04 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.48 1woc n GLY 56 N 1.51 2.45 0.00 3.44 0.00 -0.70 -4.91 105.19 106.98 1woc n GLY 56 Ca -0.16 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1woc n GLY 56 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1woc n HIS 57 N 1.37 0.00 -1.80 1.61 8.25 -1.26 -3.69 115.22 119.70 1woc n HIS 57 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 1woc n HIS 57 Cb 0.00 -0.48 -0.08 0.00 1.12 0.00 0.00 29.99 30.55 1woc n HIS 57 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1woc s GLU 58 N -2.62 1.81 0.00 -0.41 2.02 -1.26 -1.60 118.70 116.63 1woc s GLU 58 Ca 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.50 1woc s GLU 58 Cb 0.00 -5.04 0.00 0.00 0.10 0.00 0.00 34.13 29.19 1woc s GLU 58 CO 0.00 -4.62 0.00 -1.71 0.02 0.00 0.00 175.26 168.95 1woc n ASN 59 N 17.23 0.00 0.19 -0.19 4.05 -1.26 -5.02 115.26 130.26 1woc n ASN 59 Ca 0.43 0.00 0.08 0.00 0.45 0.00 0.00 54.58 55.54 1woc n ASN 59 Cb 0.46 0.00 0.19 0.00 1.23 0.00 0.00 39.78 41.66 1woc n ASN 59 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 177.26 173.60 1woc h GLN 60 N 0.00 0.00 0.28 1.20 5.75 -1.38 -3.38 115.11 117.58 1woc h GLN 60 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1woc h GLN 60 Cb 0.00 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 1woc h GLN 60 CO 0.00 0.24 -0.44 0.00 -2.65 0.00 0.00 178.83 175.98 1woc h ALA 61 N 1.76 -1.02 -0.06 3.38 0.00 -1.92 -1.87 119.26 119.53 1woc h ALA 61 Ca -0.00 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1woc h ALA 61 Cb 1.08 0.74 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 1woc h ALA 61 CO 0.03 -1.08 0.18 0.97 0.00 0.00 0.00 179.25 179.34 1woc h ILE 62 N -0.76 0.16 -0.98 0.00 2.10 -1.98 -1.72 117.51 114.32 1woc h ILE 62 Ca -0.03 0.00 0.08 0.00 1.08 0.00 0.00 64.86 65.98 1woc h ILE 62 Cb 0.69 0.84 -0.07 0.00 -1.09 0.00 0.00 36.82 37.19 1woc h ILE 62 CO -0.14 0.00 0.63 0.74 -1.08 0.00 0.00 178.15 178.31 1woc h THR 63 N 0.00 1.05 0.00 2.19 2.02 -1.53 -0.86 112.91 115.78 1woc h THR 63 Ca 0.03 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1woc h THR 63 Cb 0.38 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1woc h THR 63 CO -0.00 0.20 0.00 0.45 0.37 0.00 0.00 175.52 176.54 1woc h HIS 64 N 1.10 0.00 -0.27 3.16 3.86 -1.36 -1.57 115.15 120.08 1woc h HIS 64 Ca 0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.65 1woc h HIS 64 Cb 0.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1woc h HIS 64 CO -0.00 0.00 0.00 0.43 0.86 0.00 0.00 177.93 179.22 1woc n SER 65 N -2.97 1.46 -4.49 2.45 7.64 -0.33 -4.83 113.62 112.55 1woc n SER 65 Ca 0.00 -2.01 -0.34 0.00 1.01 0.00 0.00 58.87 57.54 1woc n SER 65 Cb 0.25 -0.19 -0.12 0.00 -1.01 0.00 0.00 64.21 63.14 1woc n SER 65 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1woc s ILE 66 N -1.64 3.69 0.21 0.44 1.01 -0.59 -5.02 121.20 119.29 1woc s ILE 66 Ca 0.18 -0.44 -0.05 0.00 0.00 0.00 0.00 60.65 60.34 1woc s ILE 66 Cb 0.09 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 1woc s ILE 66 CO 0.12 0.52 0.22 0.28 0.00 0.00 0.00 174.94 176.09 1woc s THR 67 N 0.09 0.01 0.26 2.92 -1.32 -1.26 -4.77 115.64 111.58 1woc s THR 67 Ca -0.02 -1.80 -0.30 0.00 -1.21 0.00 0.00 61.69 58.36 1woc s THR 67 Cb -0.14 -2.35 -0.13 0.00 -1.51 0.00 0.00 72.50 68.36 1woc s THR 67 CO 0.03 -0.05 1.28 0.52 -2.21 0.00 0.00 174.62 174.19 1woc n VAL 68 N -0.28 1.38 0.00 5.08 0.31 -1.26 -0.42 118.33 123.13 1woc n VAL 68 Ca 0.00 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1woc n VAL 68 Cb 0.65 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 1woc n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1woc n GLY 69 N 1.64 2.74 3.75 2.92 0.00 0.53 -4.97 105.19 111.80 1woc n GLY 69 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1woc n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1woc s SER 70 N -1.49 6.42 -0.29 1.61 0.01 0.44 -4.69 113.70 115.72 1woc s SER 70 Ca 0.00 2.92 -0.14 0.00 1.31 0.00 0.00 55.95 60.03 1woc s SER 70 Cb 0.00 -2.64 -0.03 0.00 0.21 0.00 0.00 66.02 63.56 1woc s SER 70 CO 0.00 -0.87 0.33 -0.13 0.41 0.00 0.00 173.24 172.98 1woc s ARG 71 N -0.73 3.89 0.20 12.44 3.00 -1.26 -1.51 118.95 134.98 1woc s ARG 71 Ca 0.61 -0.15 -0.01 0.00 0.00 0.00 0.00 55.73 56.17 1woc s ARG 71 Cb -0.47 -3.69 -0.04 0.00 0.00 0.00 0.00 34.95 30.75 1woc s ARG 71 CO 0.49 -0.32 0.14 0.96 0.00 0.00 0.00 175.30 176.57 1woc s ILE 72 N 1.99 0.01 -0.06 1.52 -4.36 -0.34 -2.96 121.20 117.00 1woc s ILE 72 Ca 0.12 -1.98 0.01 0.00 -0.26 0.00 0.00 60.65 58.55 1woc s ILE 72 Cb -0.16 -2.47 0.02 0.00 1.25 0.00 0.00 42.46 41.10 1woc s ILE 72 CO 0.11 -0.02 -0.08 -0.89 0.24 0.00 0.00 174.94 174.29 1woc s THR 73 N -4.15 0.87 -0.01 8.37 2.01 -0.94 -0.69 115.64 121.10 1woc s THR 73 Ca 0.38 -0.30 0.05 0.00 0.31 0.00 0.00 61.69 62.13 1woc s THR 73 Cb 0.07 -0.84 -0.03 0.00 0.01 0.00 0.00 72.50 71.71 1woc s THR 73 CO 0.11 0.30 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.49 1woc s VAL 74 N 0.90 2.85 -0.10 3.82 1.01 0.48 -1.87 120.40 127.48 1woc s VAL 74 Ca -0.11 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 60.96 1woc s VAL 74 Cb -0.15 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.11 1woc s VAL 74 CO 0.01 0.50 -0.15 -1.58 0.00 0.00 0.00 175.10 173.88 1woc s GLN 75 N -0.97 2.16 0.00 2.72 0.74 -0.14 -0.56 119.66 123.60 1woc s GLN 75 Ca 0.13 -0.54 0.00 0.00 0.05 0.00 0.00 55.36 54.99 1woc s GLN 75 Cb -0.10 -1.83 0.00 0.00 1.10 0.00 0.00 33.01 32.18 1woc s GLN 75 CO 0.02 -0.05 0.00 0.41 -0.55 0.00 0.00 175.29 175.12 1woc n GLY 76 N 4.15 1.52 3.42 2.59 0.00 -0.18 -0.52 105.19 116.17 1woc n GLY 76 Ca -0.19 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 1woc n GLY 76 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1woc s PHE 77 N -1.88 2.40 0.03 1.61 -0.71 -0.92 0.10 117.98 118.60 1woc s PHE 77 Ca 0.00 -0.34 -0.03 0.00 -1.04 0.00 0.00 56.93 55.52 1woc s PHE 77 Cb 0.00 -1.31 -0.04 0.00 -1.21 0.00 0.00 43.02 40.46 1woc s PHE 77 CO 0.00 0.33 0.23 0.96 -1.34 0.00 0.00 175.22 175.39 1woc s ILE 78 N -1.05 5.37 -0.01 -4.49 -4.36 -1.26 -0.36 121.20 115.03 1woc s ILE 78 Ca 0.15 -0.15 -0.20 0.00 -0.26 0.00 0.00 60.65 60.19 1woc s ILE 78 Cb -0.10 -3.58 0.04 0.00 1.25 0.00 0.00 42.46 40.06 1woc s ILE 78 CO 0.07 0.24 0.43 -0.55 0.24 0.00 0.00 174.94 175.37 1woc s SER 79 N -2.13 -0.34 -0.14 4.36 0.15 -0.66 -4.98 113.70 109.96 1woc s SER 79 Ca 0.31 0.25 -0.03 0.00 0.70 0.00 0.00 55.95 57.18 1woc s SER 79 Cb -0.13 0.40 -0.03 0.00 -1.71 0.00 0.00 66.02 64.55 1woc s SER 79 CO 0.22 -0.54 -0.03 0.00 1.20 0.00 0.00 173.24 174.09 1woc s HIS 81 N 0.12 2.64 -0.42 0.00 3.76 0.09 -4.84 115.29 116.64 1woc s HIS 81 Ca -0.01 -0.27 -0.27 0.00 -0.15 0.00 0.00 55.06 54.36 1woc s HIS 81 Cb -0.14 -1.62 -0.03 0.00 1.11 0.00 0.00 32.58 31.90 1woc s HIS 81 CO 0.03 0.10 2.00 0.21 -0.85 0.00 0.00 174.74 176.22 1woc s LYS 82 N -0.60 2.86 0.00 1.40 2.36 -1.26 0.24 119.74 124.74 1woc s LYS 82 Ca 0.09 1.28 0.00 0.00 -2.55 0.00 0.00 55.97 54.79 1woc s LYS 82 Cb -0.11 -4.35 0.00 0.00 -1.05 0.00 0.00 37.83 32.32 1woc s LYS 82 CO 0.01 -2.42 0.00 0.00 1.55 0.00 0.00 175.35 174.49 1woc n ALA 83 N 12.30 0.00 -0.04 3.13 0.00 -1.26 -4.85 120.51 129.79 1woc n ALA 83 Ca 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.65 1woc n ALA 83 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 1woc n ALA 83 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1woc n LYS 84 N 0.00 0.98 0.00 0.00 4.81 -1.26 -4.99 118.16 117.70 1woc n LYS 84 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1woc n LYS 84 Cb 0.00 -1.15 0.00 0.00 0.02 0.00 0.00 35.03 33.90 1woc n LYS 84 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1woc n ASN 85 N -2.58 0.00 0.00 3.14 6.94 -1.26 -5.05 115.26 116.45 1woc n ASN 85 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.44 1woc n ASN 85 Cb 0.66 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.08 1woc n ASN 85 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1woc n GLY 86 N 2.38 -0.11 3.74 4.83 0.00 -1.26 -5.05 105.19 109.72 1woc n GLY 86 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1woc n GLY 86 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1woc s LEU 87 N -2.10 3.26 1.05 0.99 0.20 -1.26 -4.72 118.68 116.10 1woc s LEU 87 Ca 0.00 2.15 -0.12 0.00 0.69 0.00 0.00 54.13 56.85 1woc s LEU 87 Cb 0.00 -4.57 0.22 0.00 -0.43 0.00 0.00 46.19 41.41 1woc s LEU 87 CO 0.00 -2.11 1.07 -0.94 -0.29 0.00 0.00 176.35 174.08 1woc s SER 88 N -2.45 1.93 0.00 3.68 1.04 -1.26 -4.14 113.70 112.51 1woc s SER 88 Ca 0.69 1.65 0.00 0.00 0.48 0.00 0.00 55.95 58.77 1woc s SER 88 Cb -0.24 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1woc s SER 88 CO 0.46 -3.63 0.00 1.17 0.98 0.00 0.00 173.24 172.23 1woc n LYS 89 N -4.55 3.99 0.00 4.02 4.81 0.65 -4.73 118.16 122.34 1woc n LYS 89 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 1woc n LYS 89 Cb 0.54 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 1woc n LYS 89 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1woc n VAL 91 N 0.00 0.00 -3.43 3.15 0.31 -0.17 -0.73 118.33 117.46 1woc n VAL 91 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1woc n VAL 91 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 1woc n VAL 91 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1woc s LEU 92 N 0.00 4.65 -0.55 7.52 2.96 -0.31 -1.65 118.68 131.30 1woc s LEU 92 Ca 0.00 -0.48 -0.23 0.00 -0.22 0.00 0.00 54.13 53.20 1woc s LEU 92 Cb 0.00 -2.26 0.05 0.00 0.50 0.00 0.00 46.19 44.47 1woc s LEU 92 CO 0.00 -0.37 0.88 -1.00 -1.32 0.00 0.00 176.35 174.54 1woc s HIS 93 N 1.90 2.83 0.29 5.38 3.76 0.51 -1.95 115.29 128.01 1woc s HIS 93 Ca 0.09 -0.16 -0.30 0.00 -0.15 0.00 0.00 55.06 54.54 1woc s HIS 93 Cb -0.17 -3.98 -0.11 0.00 1.11 0.00 0.00 32.58 29.42 1woc s HIS 93 CO 0.11 -1.31 1.58 0.00 -0.85 0.00 0.00 174.74 174.28 1woc s ALA 94 N 3.70 3.74 -0.03 -1.40 0.00 -0.65 -2.17 121.76 124.95 1woc s ALA 94 Ca 0.27 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.78 1woc s ALA 94 Cb -0.14 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.31 1woc s ALA 94 CO 0.17 -0.96 -0.02 0.39 0.00 0.00 0.00 175.76 175.34 1woc n GLU 95 N 2.24 0.49 -3.87 0.00 1.02 0.32 -4.68 120.64 116.15 1woc n GLU 95 Ca 0.08 0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 57.12 1woc n GLU 95 Cb 0.38 -1.07 -0.14 0.00 -0.02 0.00 0.00 31.44 30.59 1woc n GLU 95 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1woc s GLN 96 N -2.07 0.00 -0.04 3.49 -1.52 -0.48 -5.02 119.66 114.03 1woc s GLN 96 Ca -0.04 0.00 -0.00 0.00 -1.95 0.00 0.00 55.36 53.37 1woc s GLN 96 Cb 0.01 -0.00 0.03 0.00 -0.22 0.00 0.00 33.01 32.83 1woc s GLN 96 CO 0.08 -0.00 0.00 0.42 -0.25 0.00 0.00 175.29 175.54 1woc s ILE 97 N 0.01 0.19 -0.21 1.08 1.01 -1.26 -0.97 121.20 121.05 1woc s ILE 97 Ca -0.00 0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.74 1woc s ILE 97 Cb -0.00 -0.31 -0.00 0.00 0.01 0.00 0.00 42.46 42.16 1woc s ILE 97 CO -0.00 0.17 -0.07 -0.70 0.00 0.00 0.00 174.94 174.34 1woc s GLU 98 N 1.26 3.31 0.00 2.79 2.12 -0.78 -4.97 118.70 122.43 1woc s GLU 98 Ca -0.06 -0.66 0.00 0.00 0.36 0.00 0.00 54.97 54.61 1woc s GLU 98 Cb -0.13 -2.93 0.00 0.00 0.26 0.00 0.00 34.13 31.33 1woc s GLU 98 CO -0.02 -0.19 0.05 -0.11 -0.54 0.00 0.00 175.26 174.44 1woc n LEU 99 N 4.75 0.00 0.00 2.70 7.94 -1.26 -2.20 117.00 128.93 1woc n LEU 99 Ca -0.19 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.71 1woc n LEU 99 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 1woc n LEU 99 CO 0.28 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.56