#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 -0.62 -0.04 8.00 3.04 -1.26 -5.12 114.94 118.93 1woc s ASN 3 Ca 0.00 -1.18 -0.02 0.00 0.04 0.00 0.00 52.86 51.70 1woc s ASN 3 Cb 0.00 1.46 0.03 0.00 -1.54 0.00 0.00 41.25 41.20 1woc s ASN 3 CO 0.00 -0.19 0.05 -0.60 -3.04 0.00 0.00 177.10 173.33 1woc s ARG 4 N 1.57 -0.01 -0.06 0.43 3.52 -1.26 -4.20 118.95 118.95 1woc s ARG 4 Ca 0.18 0.34 0.06 0.00 -0.13 0.00 0.00 55.73 56.18 1woc s ARG 4 Cb -0.07 -0.54 -0.01 0.00 -1.56 0.00 0.00 34.95 32.77 1woc s ARG 4 CO -0.06 -0.32 -0.23 -1.17 -0.81 0.00 0.00 175.30 172.71 1woc s LEU 5 N 2.08 2.18 -0.17 -0.88 2.96 0.23 -4.97 118.68 120.10 1woc s LEU 5 Ca 0.04 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 1woc s LEU 5 Cb -0.12 -1.40 0.02 0.00 0.50 0.00 0.00 46.19 45.19 1woc s LEU 5 CO -0.03 0.25 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.40 1woc s VAL 6 N -0.22 1.84 -0.03 1.68 1.01 -1.26 -1.03 120.40 122.39 1woc s VAL 6 Ca -0.02 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1woc s VAL 6 Cb -0.13 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.57 1woc s VAL 6 CO 0.03 0.47 0.01 -0.22 0.00 0.00 0.00 175.10 175.39 1woc s LEU 7 N 1.37 1.07 0.28 3.92 2.96 0.45 -4.97 118.68 123.76 1woc s LEU 7 Ca 0.04 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.98 1woc s LEU 7 Cb -0.13 -0.20 -0.03 0.00 0.50 0.00 0.00 46.19 46.33 1woc s LEU 7 CO -0.12 -0.12 0.43 -0.94 -1.32 0.00 0.00 176.35 174.28 1woc s SER 8 N 1.13 6.26 0.00 3.68 1.04 -1.26 -0.12 113.70 124.43 1woc s SER 8 Ca -0.08 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1woc s SER 8 Cb -0.13 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.17 1woc s SER 8 CO -0.02 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.62 1woc n GLY 9 N -1.55 -1.54 3.24 7.32 0.00 -0.26 -4.36 105.19 108.04 1woc n GLY 9 Ca -0.07 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 1woc n GLY 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1woc s THR 10 N -2.48 2.37 0.10 2.61 2.01 -0.25 -1.49 115.64 118.50 1woc s THR 10 Ca 0.00 -0.89 -0.31 0.00 0.31 0.00 0.00 61.69 60.80 1woc s THR 10 Cb 0.00 -1.96 -0.09 0.00 0.01 0.00 0.00 72.50 70.46 1woc s THR 10 CO 0.00 0.54 1.66 -0.69 -0.69 0.00 0.00 174.62 175.44 1woc s VAL 11 N 0.63 2.85 -0.55 3.82 1.01 0.14 -0.54 120.40 127.76 1woc s VAL 11 Ca -0.10 0.40 0.04 0.00 0.00 0.00 0.00 61.98 62.33 1woc s VAL 11 Cb -0.16 -3.26 0.04 0.00 0.00 0.00 0.00 36.38 33.00 1woc s VAL 11 CO 0.03 0.01 0.68 0.00 0.00 0.00 0.00 175.10 175.81 1woc s ARG 13 N -0.42 0.15 0.50 0.00 3.00 -1.23 -4.95 118.95 116.00 1woc s ARG 13 Ca 0.06 0.60 -0.23 0.00 -1.00 0.00 0.00 55.73 55.16 1woc s ARG 13 Cb 0.04 -0.11 -0.06 0.00 0.00 0.00 0.00 34.95 34.81 1woc s ARG 13 CO 0.06 -0.23 1.28 0.00 0.00 0.00 0.00 175.30 176.41 1woc s ALA 14 N 1.83 2.92 0.24 6.12 0.00 -1.26 -2.68 121.76 128.94 1woc s ALA 14 Ca -0.04 1.18 -0.31 0.00 0.00 0.00 0.00 51.96 52.79 1woc s ALA 14 Cb -0.11 -3.49 -0.13 0.00 0.00 0.00 0.00 23.12 19.38 1woc s ALA 14 CO -0.08 -1.06 1.37 -2.30 0.00 0.00 0.00 175.76 173.69 1woc n PRO 15 N -0.73 1.97 -4.04 0.00 -0.02 -1.26 -4.63 135.00 126.29 1woc n PRO 15 Ca 0.09 0.70 -0.35 0.00 -2.02 0.00 0.00 63.50 61.92 1woc n PRO 15 Cb 0.46 -2.33 -0.14 0.00 -0.02 0.00 0.00 33.50 31.46 1woc n PRO 15 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1woc s LEU 16 N 0.05 2.81 -0.11 2.45 0.20 0.41 -4.91 118.68 119.59 1woc s LEU 16 Ca 0.67 -0.40 -0.05 0.00 0.69 0.00 0.00 54.13 55.04 1woc s LEU 16 Cb -0.66 -1.70 -0.04 0.00 -0.43 0.00 0.00 46.19 43.37 1woc s LEU 16 CO 0.51 0.01 0.08 -0.13 -0.29 0.00 0.00 176.35 176.53 1woc s ARG 17 N 1.29 3.28 0.22 1.98 0.52 -1.26 -1.41 118.95 123.57 1woc s ARG 17 Ca 0.03 -0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.01 1woc s ARG 17 Cb -0.14 -3.04 -0.04 0.00 0.52 0.00 0.00 34.95 32.25 1woc s ARG 17 CO -0.03 0.74 0.15 0.15 0.02 0.00 0.00 175.30 176.32 1woc s LYS 18 N -0.93 1.29 -0.08 3.54 1.02 -0.00 -5.01 119.74 119.57 1woc s LYS 18 Ca 0.14 -1.69 0.00 0.00 0.02 0.00 0.00 55.97 54.44 1woc s LYS 18 Cb -0.12 0.23 0.02 0.00 -0.52 0.00 0.00 37.83 37.45 1woc s LYS 18 CO 0.03 -0.42 -0.06 0.08 -0.92 0.00 0.00 175.35 174.06 1woc s VAL 19 N -4.03 0.82 1.03 3.17 1.01 -1.26 -1.82 120.40 119.32 1woc s VAL 19 Ca 0.39 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 1woc s VAL 19 Cb 0.06 -0.84 0.21 0.00 0.00 0.00 0.00 36.38 35.82 1woc s VAL 19 CO 0.14 0.31 1.07 -0.94 0.00 0.00 0.00 175.10 175.69 1woc s SER 20 N 1.33 2.20 0.57 3.32 1.04 0.92 -4.84 113.70 118.25 1woc s SER 20 Ca -0.03 1.47 0.28 0.00 0.48 0.00 0.00 55.95 58.14 1woc s SER 20 Cb -0.14 -2.16 1.50 0.00 0.10 0.00 0.00 66.02 65.32 1woc s SER 20 CO -0.03 -3.43 1.98 -0.65 0.98 0.00 0.00 173.24 172.09 1woc h PRO 21 N -2.10 0.00 -0.01 4.02 0.11 -2.01 -1.09 132.00 130.92 1woc h PRO 21 Ca -0.55 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1woc h PRO 21 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1woc h PRO 21 CO 0.53 0.00 -0.49 -1.13 -0.21 0.00 0.00 178.00 176.69 1woc n SER 22 N -3.98 1.40 0.00 -2.05 3.41 -1.26 -4.95 113.62 106.18 1woc n SER 22 Ca 0.07 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 1woc n SER 22 Cb 0.57 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.95 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 1.42 0.77 3.66 5.00 0.00 -0.41 -5.08 105.19 110.53 1woc n GLY 23 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1woc n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1woc s ILE 24 N -2.00 4.39 0.46 -0.61 1.01 -1.26 -4.70 121.20 118.49 1woc s ILE 24 Ca 0.00 1.67 -0.21 0.00 0.00 0.00 0.00 60.65 62.11 1woc s ILE 24 Cb 0.00 -4.13 -0.10 0.00 0.01 0.00 0.00 42.46 38.24 1woc s ILE 24 CO 0.00 -0.21 1.00 -2.16 0.00 0.00 0.00 174.94 173.57 1woc s PRO 25 N 3.51 3.99 -0.03 2.79 0.04 -1.26 -0.05 135.00 143.99 1woc s PRO 25 Ca 0.51 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.52 1woc s PRO 25 Cb -0.19 -2.15 0.07 0.00 0.04 0.00 0.00 34.50 32.27 1woc s PRO 25 CO 0.13 -0.25 0.67 -3.38 0.04 0.00 0.00 177.00 174.21 1woc s HIS 26 N -2.04 -0.65 0.10 0.56 -3.43 -0.75 -1.32 115.29 107.76 1woc s HIS 26 Ca 0.65 1.04 -0.02 0.00 -0.80 0.00 0.00 55.06 55.93 1woc s HIS 26 Cb -0.14 0.43 -0.03 0.00 -1.43 0.00 0.00 32.58 31.40 1woc s HIS 26 CO 0.17 -0.63 0.05 0.00 -2.00 0.00 0.00 174.74 172.33 1woc s GLN 28 N -3.98 0.28 0.29 0.00 -0.44 -0.50 -0.77 119.66 114.55 1woc s GLN 28 Ca 0.16 -0.17 -0.03 0.00 -2.50 0.00 0.00 55.36 52.83 1woc s GLN 28 Cb 0.07 -0.25 -0.01 0.00 -1.64 0.00 0.00 33.01 31.18 1woc s GLN 28 CO -0.03 0.07 0.37 -0.59 0.50 0.00 0.00 175.29 175.61 1woc s PHE 29 N -0.19 1.04 -0.12 1.67 -0.71 -0.80 -0.45 117.98 118.42 1woc s PHE 29 Ca 0.00 -1.25 0.01 0.00 -1.04 0.00 0.00 56.93 54.66 1woc s PHE 29 Cb -0.02 -0.22 -0.01 0.00 -1.21 0.00 0.00 43.02 41.56 1woc s PHE 29 CO -0.00 -0.96 -0.17 0.08 -1.34 0.00 0.00 175.22 172.82 1woc s VAL 30 N -3.54 2.69 -0.26 -2.49 1.01 -1.09 -0.06 120.40 116.65 1woc s VAL 30 Ca 0.32 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 1woc s VAL 30 Cb 0.02 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1woc s VAL 30 CO 0.17 0.54 0.11 -0.22 0.00 0.00 0.00 175.10 175.70 1woc s LEU 31 N 0.34 3.63 -0.41 3.92 2.96 -1.26 -1.25 118.68 126.61 1woc s LEU 31 Ca -0.14 -0.14 -0.17 0.00 -0.22 0.00 0.00 54.13 53.46 1woc s LEU 31 Cb -0.17 -1.99 0.02 0.00 0.50 0.00 0.00 46.19 44.55 1woc s LEU 31 CO 0.07 -0.04 0.44 -0.70 -1.32 0.00 0.00 176.35 174.80 1woc s GLU 32 N 1.66 3.21 -0.06 1.98 2.12 0.30 -4.18 118.70 123.73 1woc s GLU 32 Ca 0.07 -0.65 -0.16 0.00 0.36 0.00 0.00 54.97 54.59 1woc s GLU 32 Cb -0.15 -3.93 -0.05 0.00 0.26 0.00 0.00 34.13 30.25 1woc s GLU 32 CO 0.06 -0.80 0.42 -1.58 -0.54 0.00 0.00 175.26 172.82 1woc s HIS 33 N 2.18 3.62 -0.04 5.30 5.65 0.10 -1.09 115.29 131.01 1woc s HIS 33 Ca 0.13 0.90 0.01 0.00 0.25 0.00 0.00 55.06 56.35 1woc s HIS 33 Cb -0.17 -2.39 0.02 0.00 -1.18 0.00 0.00 32.58 28.87 1woc s HIS 33 CO 0.14 0.42 -0.03 1.03 -0.65 0.00 0.00 174.74 175.65 1woc s ARG 34 N -0.26 0.59 0.13 2.88 0.52 -1.26 -2.34 118.95 119.21 1woc s ARG 34 Ca 0.23 -0.03 -0.26 0.00 -0.52 0.00 0.00 55.73 55.16 1woc s ARG 34 Cb -0.16 -0.67 0.07 0.00 0.52 0.00 0.00 34.95 34.72 1woc s ARG 34 CO 0.11 -0.10 1.01 -1.54 0.02 0.00 0.00 175.30 174.80 1woc s SER 35 N 0.92 -0.15 -0.12 0.23 1.04 -0.68 -4.98 113.70 109.96 1woc s SER 35 Ca -0.11 -0.38 0.03 0.00 0.48 0.00 0.00 55.95 55.97 1woc s SER 35 Cb -0.14 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1woc s SER 35 CO -0.01 -0.82 -0.23 -0.69 0.98 0.00 0.00 173.24 172.48 1woc s VAL 36 N -3.12 2.13 0.00 5.02 1.01 -1.26 -0.66 120.40 123.52 1woc s VAL 36 Ca 0.13 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1woc s VAL 36 Cb -0.00 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1woc s VAL 36 CO 0.02 0.55 0.00 0.00 0.00 0.00 0.00 175.10 175.67 1woc n GLN 37 N 3.71 1.92 -4.99 2.72 1.13 0.14 -4.91 117.38 117.09 1woc n GLN 37 Ca -0.19 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.59 1woc n GLN 37 Cb 0.52 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 30.72 1woc n GLN 37 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1woc s GLU 38 N -1.95 1.72 -0.26 -1.09 2.12 -1.26 -0.42 118.70 117.55 1woc s GLU 38 Ca 0.00 -0.85 -0.17 0.00 0.36 0.00 0.00 54.97 54.31 1woc s GLU 38 Cb 0.00 -1.71 0.07 0.00 0.26 0.00 0.00 34.13 32.75 1woc s GLU 38 CO 0.00 0.46 0.65 -2.00 -0.54 0.00 0.00 175.26 173.83 1woc s GLU 39 N -0.72 0.69 -1.51 4.30 2.12 0.85 -4.87 118.70 119.56 1woc s GLU 39 Ca 0.09 1.10 0.00 0.00 0.36 0.00 0.00 54.97 56.51 1woc s GLU 39 Cb -0.09 0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.48 1woc s GLU 39 CO -0.00 -0.14 0.00 0.00 -0.54 0.00 0.00 175.26 174.58 1woc n ALA 40 N 3.91 -0.58 -1.43 6.30 0.00 -1.26 -1.29 120.51 126.15 1woc n ALA 40 Ca -0.19 0.17 -0.00 0.00 0.00 0.00 0.00 53.44 53.42 1woc n ALA 40 Cb 0.58 -1.81 -0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 -0.75 0.39 3.27 0.00 0.00 -1.26 -5.04 105.19 101.79 1woc n GLY 41 Ca -0.19 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.73 1woc n GLY 41 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1woc s PHE 42 N -2.02 -0.10 0.38 1.61 0.40 -0.41 -5.15 117.98 112.69 1woc s PHE 42 Ca 0.00 -0.11 -0.26 0.00 -0.60 0.00 0.00 56.93 55.96 1woc s PHE 42 Cb 0.00 0.12 -0.09 0.00 0.51 0.00 0.00 43.02 43.56 1woc s PHE 42 CO 0.00 -0.56 1.17 -1.01 0.70 0.00 0.00 175.22 175.52 1woc s HIS 43 N -3.03 3.12 -0.03 0.36 3.76 -1.26 -0.10 115.29 118.10 1woc s HIS 43 Ca -0.02 1.56 -0.01 0.00 -0.15 0.00 0.00 55.06 56.44 1woc s HIS 43 Cb 0.01 -3.40 0.03 0.00 1.11 0.00 0.00 32.58 30.33 1woc s HIS 43 CO -0.06 -1.28 0.07 0.50 -0.85 0.00 0.00 174.74 173.11 1woc s ARG 44 N -2.18 -0.00 0.44 1.40 6.06 0.44 -4.83 118.95 120.28 1woc s ARG 44 Ca 0.55 0.25 -0.24 0.00 -2.50 0.00 0.00 55.73 53.79 1woc s ARG 44 Cb -0.31 -0.24 -0.08 0.00 0.06 0.00 0.00 34.95 34.38 1woc s ARG 44 CO 0.40 -0.17 1.19 -0.65 -2.50 0.00 0.00 175.30 173.57 1woc s GLN 45 N 1.14 3.86 -0.03 5.12 -0.21 -1.26 0.23 119.66 128.50 1woc s GLN 45 Ca -0.09 1.86 0.02 0.00 0.02 0.00 0.00 55.36 57.18 1woc s GLN 45 Cb -0.13 -2.54 0.01 0.00 1.00 0.00 0.00 33.01 31.35 1woc s GLN 45 CO -0.04 -0.49 -0.09 0.00 -2.12 0.00 0.00 175.29 172.55 1woc s ALA 46 N -1.45 0.86 -0.02 6.09 0.00 0.17 -4.84 121.76 122.57 1woc s ALA 46 Ca 0.61 -0.31 -0.24 0.00 0.00 0.00 0.00 51.96 52.02 1woc s ALA 46 Cb -0.31 -0.34 0.05 0.00 0.00 0.00 0.00 23.12 22.52 1woc s ALA 46 CO 0.38 0.13 0.52 -0.46 0.00 0.00 0.00 175.76 176.33 1woc s TRP 47 N 0.27 -0.45 -0.24 0.00 -0.00 -1.26 -1.69 118.94 115.57 1woc s TRP 47 Ca -0.04 0.70 -0.29 0.00 -0.00 0.00 0.00 56.10 56.46 1woc s TRP 47 Cb -0.09 0.29 0.16 0.00 -0.00 0.00 0.00 33.47 33.83 1woc s TRP 47 CO 0.01 -0.55 1.21 0.00 -0.00 0.00 0.00 176.95 177.62 1woc s GLN 49 N -0.96 2.47 -0.01 0.00 -0.21 -1.26 0.03 119.66 119.72 1woc s GLN 49 Ca 0.04 -1.46 0.02 0.00 0.02 0.00 0.00 55.36 53.98 1woc s GLN 49 Cb -0.01 -2.26 -0.00 0.00 1.00 0.00 0.00 33.01 31.74 1woc s GLN 49 CO -0.04 0.13 -0.08 -2.14 -2.12 0.00 0.00 175.29 171.04 1woc s PRO 51 N -3.87 0.69 -0.06 2.91 0.02 -1.26 -4.85 135.00 128.58 1woc s PRO 51 Ca 0.38 -0.26 0.03 0.00 0.02 0.00 0.00 61.00 61.17 1woc s PRO 51 Cb -0.04 -0.67 0.01 0.00 0.02 0.00 0.00 34.50 33.82 1woc s PRO 51 CO 0.24 0.13 -0.13 0.08 -0.33 0.00 0.00 177.00 176.98 1woc s VAL 52 N -0.01 1.21 -0.12 3.83 1.01 0.91 -1.16 120.40 126.07 1woc s VAL 52 Ca 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 1woc s VAL 52 Cb -0.05 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 1woc s VAL 52 CO -0.00 0.37 -0.08 -0.63 0.00 0.00 0.00 175.10 174.76 1woc s ILE 53 N 0.48 3.57 -0.25 2.22 -1.09 -0.52 -1.91 121.20 123.71 1woc s ILE 53 Ca -0.12 -0.49 0.02 0.00 -2.23 0.00 0.00 60.65 57.84 1woc s ILE 53 Cb -0.14 -2.51 0.06 0.00 -1.58 0.00 0.00 42.46 38.28 1woc s ILE 53 CO 0.03 0.53 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.48 1woc s VAL 54 N -0.01 2.05 0.11 2.92 1.01 0.05 -1.04 120.40 125.49 1woc s VAL 54 Ca -0.01 -1.50 0.08 0.00 0.00 0.00 0.00 61.98 60.55 1woc s VAL 54 Cb -0.14 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1woc s VAL 54 CO 0.03 0.01 -0.14 -0.44 0.00 0.00 0.00 175.10 174.56 1woc s SER 55 N 1.17 4.16 0.00 3.32 0.01 -1.26 -1.16 113.70 119.93 1woc s SER 55 Ca -0.07 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.72 1woc s SER 55 Cb -0.19 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.34 1woc s SER 55 CO -0.06 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1woc n GLY 56 N 0.75 2.68 0.40 3.44 0.00 -0.44 -4.75 105.19 107.28 1woc n GLY 56 Ca -0.14 -1.57 -0.15 0.00 0.00 0.00 0.00 46.02 44.15 1woc n GLY 56 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1woc h HIS 57 N 0.00 -1.07 0.00 1.61 3.86 -1.95 -2.92 115.15 114.67 1woc h HIS 57 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1woc h HIS 57 Cb 0.00 0.43 0.00 0.00 1.06 0.00 0.00 27.41 28.90 1woc h HIS 57 CO 0.00 -0.52 0.00 -0.85 0.86 0.00 0.00 177.93 177.42 1woc n GLU 58 N -5.47 0.72 0.00 2.45 0.28 -1.26 -2.86 120.64 114.50 1woc n GLU 58 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 1woc n GLU 58 Cb 0.38 -1.14 0.00 0.00 1.43 0.00 0.00 31.44 32.11 1woc n GLU 58 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1woc n ASN 59 N 0.94 0.00 0.12 -1.84 2.85 -1.11 -4.87 115.26 111.34 1woc n ASN 59 Ca 0.00 -0.77 -0.01 0.00 -0.11 0.00 0.00 54.58 53.70 1woc n ASN 59 Cb 0.36 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.38 1woc n ASN 59 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1woc h GLN 60 N 0.00 0.00 -0.26 1.20 1.08 -1.53 -3.38 115.11 112.23 1woc h GLN 60 Ca 0.00 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 1woc h GLN 60 Cb 0.38 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.76 1woc h GLN 60 CO 0.00 0.66 -0.35 0.00 -0.95 0.00 0.00 178.83 178.19 1woc h ALA 61 N 1.34 -0.60 0.00 3.87 0.00 -1.90 -0.89 119.26 121.08 1woc h ALA 61 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1woc h ALA 61 Cb 1.48 0.97 0.00 0.00 0.00 0.00 0.00 17.79 20.25 1woc h ALA 61 CO 0.09 -0.77 0.05 -0.84 0.00 0.00 0.00 179.25 177.77 1woc h ILE 62 N -0.25 0.00 0.00 0.00 -0.00 -1.97 -2.01 117.51 113.28 1woc h ILE 62 Ca 0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 64.86 64.86 1woc h ILE 62 Cb 0.37 0.52 -0.01 0.00 -0.00 0.00 0.00 36.82 37.71 1woc h ILE 62 CO -0.38 0.00 -0.40 0.71 -0.00 0.00 0.00 178.15 178.09 1woc h THR 63 N 0.00 0.29 0.00 0.16 1.35 -1.36 -3.25 112.91 110.11 1woc h THR 63 Ca 0.00 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 1woc h THR 63 Cb 0.10 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1woc h THR 63 CO 0.00 0.17 0.00 1.41 -0.25 0.00 0.00 175.52 176.85 1woc n HIS 64 N -3.06 0.73 0.62 4.73 8.25 -0.76 -1.20 115.22 124.54 1woc n HIS 64 Ca 0.02 0.33 0.11 0.00 -0.26 0.00 0.00 57.72 57.92 1woc n HIS 64 Cb 0.62 -1.02 0.00 0.00 1.12 0.00 0.00 29.99 30.71 1woc n HIS 64 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1woc n SER 65 N -2.20 0.62 -4.71 0.41 2.88 -1.23 -4.90 113.62 104.49 1woc n SER 65 Ca 0.01 -0.32 -0.38 0.00 -1.33 0.00 0.00 58.87 56.85 1woc n SER 65 Cb 0.14 0.87 -0.06 0.00 -0.75 0.00 0.00 64.21 64.40 1woc n SER 65 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1woc s ILE 66 N -3.18 5.19 0.16 2.46 -5.25 -0.34 -4.99 121.20 115.25 1woc s ILE 66 Ca 0.04 0.91 0.02 0.00 -0.99 0.00 0.00 60.65 60.62 1woc s ILE 66 Cb 0.15 -3.80 -0.01 0.00 2.95 0.00 0.00 42.46 41.75 1woc s ILE 66 CO 0.81 0.32 0.17 1.07 -1.79 0.00 0.00 174.94 175.52 1woc n THR 67 N 3.77 0.00 -1.87 8.37 5.66 -1.26 -4.69 114.28 124.25 1woc n THR 67 Ca -0.07 -0.99 -0.42 0.00 -3.05 0.00 0.00 64.05 59.52 1woc n THR 67 Cb 0.51 0.53 -0.03 0.00 -1.55 0.00 0.00 70.33 69.80 1woc n THR 67 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1woc s VAL 68 N -2.61 2.89 0.00 1.08 1.01 -1.26 -1.24 120.40 120.27 1woc s VAL 68 Ca 0.16 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1woc s VAL 68 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1woc s VAL 68 CO 0.11 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1woc n GLY 69 N 4.05 0.22 3.73 4.51 0.00 -0.33 -4.99 105.19 112.39 1woc n GLY 69 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.15 7.16 -0.22 1.61 0.01 -0.38 -4.77 113.70 114.98 1woc s SER 70 Ca 0.00 2.14 -0.08 0.00 1.31 0.00 0.00 55.95 59.32 1woc s SER 70 Cb 0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 1woc s SER 70 CO 0.00 -0.32 0.07 -0.13 0.41 0.00 0.00 173.24 173.28 1woc s ARG 71 N -0.10 3.84 0.32 12.44 0.52 -1.26 -0.69 118.95 134.02 1woc s ARG 71 Ca 0.52 -0.40 0.01 0.00 -0.52 0.00 0.00 55.73 55.35 1woc s ARG 71 Cb -0.31 -3.29 -0.02 0.00 0.52 0.00 0.00 34.95 31.86 1woc s ARG 71 CO 0.35 0.05 0.36 0.96 0.02 0.00 0.00 175.30 177.04 1woc s ILE 72 N 0.98 0.00 -0.05 1.52 -4.36 -0.56 0.26 121.20 118.99 1woc s ILE 72 Ca 0.04 -1.79 0.00 0.00 -0.26 0.00 0.00 60.65 58.64 1woc s ILE 72 Cb -0.14 -2.56 0.02 0.00 1.25 0.00 0.00 42.46 41.04 1woc s ILE 72 CO 0.03 0.00 -0.03 -0.89 0.24 0.00 0.00 174.94 174.29 1woc s THR 73 N -3.34 0.52 -0.07 8.37 2.01 -0.68 -1.10 115.64 121.34 1woc s THR 73 Ca 0.35 -0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.32 1woc s THR 73 Cb 0.01 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.93 1woc s THR 73 CO 0.22 0.24 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.54 1woc s VAL 74 N 1.23 2.86 -0.05 3.82 1.01 0.83 -1.49 120.40 128.62 1woc s VAL 74 Ca -0.06 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.20 1woc s VAL 74 Cb -0.14 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 1woc s VAL 74 CO -0.02 0.57 -0.23 -1.58 0.00 0.00 0.00 175.10 173.84 1woc s GLN 75 N -0.32 2.49 0.00 2.72 -0.44 0.02 -0.41 119.66 123.71 1woc s GLN 75 Ca 0.02 -0.86 0.00 0.00 -2.50 0.00 0.00 55.36 52.02 1woc s GLN 75 Cb -0.13 -2.20 0.00 0.00 -1.64 0.00 0.00 33.01 29.04 1woc s GLN 75 CO 0.02 0.45 0.00 0.41 0.50 0.00 0.00 175.29 176.68 1woc n GLY 76 N 2.76 -1.04 3.65 2.59 0.00 -0.20 0.29 105.19 113.24 1woc n GLY 76 Ca -0.17 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.00 2.78 0.10 1.61 -0.12 -1.01 0.74 117.98 119.07 1woc s PHE 77 Ca 0.00 -0.18 0.06 0.00 -0.05 0.00 0.00 56.93 56.76 1woc s PHE 77 Cb 0.00 -1.31 -0.04 0.00 -0.63 0.00 0.00 43.02 41.04 1woc s PHE 77 CO 0.00 0.55 -0.04 0.96 -0.05 0.00 0.00 175.22 176.64 1woc s ILE 78 N -1.92 3.78 0.16 -4.49 -4.36 -1.26 -0.89 121.20 112.22 1woc s ILE 78 Ca 0.28 -1.10 -0.09 0.00 -0.26 0.00 0.00 60.65 59.49 1woc s ILE 78 Cb -0.08 -2.79 -0.01 0.00 1.25 0.00 0.00 42.46 40.82 1woc s ILE 78 CO 0.19 0.11 0.27 -0.55 0.24 0.00 0.00 174.94 175.20 1woc s SER 79 N -2.29 0.06 -0.15 4.36 0.15 -0.80 -4.99 113.70 110.04 1woc s SER 79 Ca 0.24 -0.87 -0.03 0.00 0.70 0.00 0.00 55.95 55.99 1woc s SER 79 Cb -0.11 0.42 -0.03 0.00 -1.71 0.00 0.00 66.02 64.59 1woc s SER 79 CO 0.17 -0.88 -0.05 0.00 1.20 0.00 0.00 173.24 173.68 1woc s HIS 81 N 0.32 1.55 -0.20 0.00 3.76 -0.62 -4.91 115.29 115.19 1woc s HIS 81 Ca -0.05 -0.53 -0.25 0.00 -0.15 0.00 0.00 55.06 54.08 1woc s HIS 81 Cb -0.14 -0.79 -0.01 0.00 1.11 0.00 0.00 32.58 32.74 1woc s HIS 81 CO 0.03 0.21 0.85 0.15 -0.85 0.00 0.00 174.74 175.13 1woc s LYS 82 N -2.73 4.26 0.94 1.40 3.01 -1.26 0.04 119.74 125.41 1woc s LYS 82 Ca 0.11 1.02 -0.15 0.00 -1.01 0.00 0.00 55.97 55.95 1woc s LYS 82 Cb -0.05 -3.60 0.17 0.00 -1.01 0.00 0.00 37.83 33.33 1woc s LYS 82 CO 0.04 -0.42 1.22 0.00 0.51 0.00 0.00 175.35 176.71 1woc s ALA 83 N 2.47 2.03 0.31 5.17 0.00 0.58 -4.87 121.76 127.45 1woc s ALA 83 Ca 0.38 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 51.44 1woc s ALA 83 Cb -0.16 -2.89 0.50 0.00 0.00 0.00 0.00 23.12 20.57 1woc s ALA 83 CO 0.10 -2.37 1.97 0.87 0.00 0.00 0.00 175.76 176.33 1woc h LYS 84 N -1.59 0.97 -0.48 0.00 1.57 -1.97 0.14 116.57 115.21 1woc h LYS 84 Ca -0.46 -0.07 0.14 0.00 -1.87 0.00 0.00 60.65 58.38 1woc h LYS 84 Cb 1.29 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 1woc h LYS 84 CO 0.49 0.67 0.38 -0.91 -0.57 0.00 0.00 179.45 179.51 1woc h ASN 85 N 0.99 0.00 0.00 0.86 -0.26 -2.02 -3.44 115.58 111.71 1woc h ASN 85 Ca 0.26 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.00 1woc h ASN 85 Cb -0.07 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.19 1woc h ASN 85 CO -0.05 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.93 1woc n GLY 86 N -1.59 0.47 3.84 2.83 0.00 0.04 -5.07 105.19 105.72 1woc n GLY 86 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1woc n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1woc s LEU 87 N 0.00 4.35 0.29 0.99 1.43 -1.26 -4.72 118.68 119.76 1woc s LEU 87 Ca 0.00 1.09 -0.29 0.00 -1.03 0.00 0.00 54.13 53.89 1woc s LEU 87 Cb 0.00 -3.25 -0.10 0.00 0.03 0.00 0.00 46.19 42.88 1woc s LEU 87 CO 0.00 0.11 1.17 -0.44 0.23 0.00 0.00 176.35 177.42 1woc s SER 88 N -1.68 7.11 0.00 2.29 0.01 -1.26 -0.31 113.70 119.86 1woc s SER 88 Ca 0.37 2.40 0.00 0.00 1.31 0.00 0.00 55.95 60.03 1woc s SER 88 Cb -0.15 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.45 1woc s SER 88 CO 0.19 -0.27 0.00 1.17 0.41 0.00 0.00 173.24 174.74 1woc n LYS 89 N 1.14 0.58 0.00 12.44 4.81 0.11 -4.88 118.16 132.36 1woc n LYS 89 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1woc n LYS 89 Cb 0.44 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.49 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 -3.51 3.15 0.31 -0.25 -1.59 118.33 116.44 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 4.76 -0.55 7.52 2.96 -0.31 -1.90 118.68 131.16 1woc s LEU 92 Ca 0.00 -0.65 -0.25 0.00 -0.22 0.00 0.00 54.13 53.01 1woc s LEU 92 Cb 0.00 -2.14 0.04 0.00 0.50 0.00 0.00 46.19 44.59 1woc s LEU 92 CO 0.00 -0.33 0.97 -1.00 -1.32 0.00 0.00 176.35 174.67 1woc s HIS 93 N 1.69 2.77 0.21 5.38 3.76 -0.07 -1.44 115.29 127.60 1woc s HIS 93 Ca 0.05 0.03 -0.31 0.00 -0.15 0.00 0.00 55.06 54.69 1woc s HIS 93 Cb -0.18 -4.12 -0.10 0.00 1.11 0.00 0.00 32.58 29.29 1woc s HIS 93 CO 0.10 -1.37 1.48 0.00 -0.85 0.00 0.00 174.74 174.09 1woc s ALA 94 N 4.05 3.67 -0.08 -1.40 0.00 -0.21 -2.39 121.76 125.40 1woc s ALA 94 Ca 0.32 1.32 0.04 0.00 0.00 0.00 0.00 51.96 53.64 1woc s ALA 94 Cb -0.12 -3.58 -0.08 0.00 0.00 0.00 0.00 23.12 19.35 1woc s ALA 94 CO 0.20 -0.74 -0.03 0.39 0.00 0.00 0.00 175.76 175.58 1woc n GLU 95 N 3.02 1.57 -3.92 0.00 1.02 0.14 -4.65 120.64 117.82 1woc n GLU 95 Ca 0.10 0.02 -0.10 0.00 -0.02 0.00 0.00 57.16 57.16 1woc n GLU 95 Cb 0.40 -1.19 -0.12 0.00 -0.02 0.00 0.00 31.44 30.51 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 -2.19 0.21 -0.01 3.49 -1.52 -0.48 -5.01 119.66 114.16 1woc s GLN 96 Ca -0.08 -0.34 0.01 0.00 -1.95 0.00 0.00 55.36 53.00 1woc s GLN 96 Cb 0.03 0.08 0.00 0.00 -0.22 0.00 0.00 33.01 32.90 1woc s GLN 96 CO 0.27 -0.04 -0.02 -1.50 -0.25 0.00 0.00 175.29 173.75 1woc s ILE 97 N -0.86 0.20 -0.06 1.08 -1.16 -1.26 -0.80 121.20 118.34 1woc s ILE 97 Ca -0.09 -0.07 0.02 0.00 -0.51 0.00 0.00 60.65 59.99 1woc s ILE 97 Cb -0.06 -0.20 0.02 0.00 0.61 0.00 0.00 42.46 42.83 1woc s ILE 97 CO -0.00 0.08 -0.09 -0.70 -2.81 0.00 0.00 174.94 171.41 1woc s GLU 98 N 0.15 1.33 0.64 3.50 2.12 -0.55 -5.00 118.70 120.88 1woc s GLU 98 Ca -0.01 -0.28 -0.14 0.00 0.36 0.00 0.00 54.97 54.89 1woc s GLU 98 Cb -0.04 -1.16 -0.02 0.00 0.26 0.00 0.00 34.13 33.18 1woc s GLU 98 CO -0.00 -0.02 1.07 -0.51 -0.54 0.00 0.00 175.26 175.26 1woc s LEU 99 N 0.76 3.39 0.00 2.70 1.43 -1.26 -1.68 118.68 124.01 1woc s LEU 99 Ca -0.13 1.83 0.00 0.00 -1.03 0.00 0.00 54.13 54.79 1woc s LEU 99 Cb -0.15 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.54 1woc s LEU 99 CO 0.02 -1.37 0.00 2.30 0.23 0.00 0.00 176.35 177.53