#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 -1.18 -0.07 8.00 3.04 -1.26 -5.12 114.94 118.34 1woc s ASN 3 Ca 0.00 -1.00 -0.03 0.00 0.04 0.00 0.00 52.86 51.87 1woc s ASN 3 Cb 0.00 1.77 0.04 0.00 -1.54 0.00 0.00 41.25 41.52 1woc s ASN 3 CO 0.00 -0.17 0.15 -0.60 -3.04 0.00 0.00 177.10 173.44 1woc s ARG 4 N 1.67 0.05 -0.10 0.43 3.52 -1.26 -4.37 118.95 118.89 1woc s ARG 4 Ca 0.18 0.48 0.03 0.00 -0.13 0.00 0.00 55.73 56.29 1woc s ARG 4 Cb -0.05 -0.24 -0.00 0.00 -1.56 0.00 0.00 34.95 33.09 1woc s ARG 4 CO -0.06 -0.25 -0.22 -1.17 -0.81 0.00 0.00 175.30 172.79 1woc s LEU 5 N 1.83 2.21 -0.22 -0.88 2.96 -0.03 -4.99 118.68 119.55 1woc s LEU 5 Ca -0.02 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.39 1woc s LEU 5 Cb -0.12 -1.44 0.03 0.00 0.50 0.00 0.00 46.19 45.15 1woc s LEU 5 CO -0.06 0.17 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.33 1woc s VAL 6 N 0.27 2.42 -0.04 1.68 1.01 -1.26 -1.97 120.40 122.51 1woc s VAL 6 Ca -0.15 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 60.75 1woc s VAL 6 Cb -0.17 -2.17 0.03 0.00 0.00 0.00 0.00 36.38 34.07 1woc s VAL 6 CO 0.08 0.32 0.04 -0.22 0.00 0.00 0.00 175.10 175.32 1woc s LEU 7 N 1.28 0.41 0.31 3.92 2.96 0.06 -4.98 118.68 122.64 1woc s LEU 7 Ca 0.01 0.03 -0.06 0.00 -0.22 0.00 0.00 54.13 53.89 1woc s LEU 7 Cb -0.15 -0.21 -0.05 0.00 0.50 0.00 0.00 46.19 46.27 1woc s LEU 7 CO -0.08 -0.21 0.60 -0.94 -1.32 0.00 0.00 176.35 174.40 1woc s SER 8 N 1.93 6.47 0.00 3.68 1.04 -1.26 -0.89 113.70 124.67 1woc s SER 8 Ca 0.02 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.27 1woc s SER 8 Cb -0.12 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.81 1woc s SER 8 CO -0.03 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1woc n GLY 9 N -1.00 -1.03 3.09 7.32 0.00 0.20 -4.42 105.19 109.35 1woc n GLY 9 Ca -0.01 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.00 1.48 -0.21 2.61 2.01 -0.27 -1.68 115.64 116.59 1woc s THR 10 Ca 0.00 -0.67 -0.29 0.00 0.31 0.00 0.00 61.69 61.04 1woc s THR 10 Cb 0.00 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 1woc s THR 10 CO 0.00 0.43 1.90 -0.69 -0.69 0.00 0.00 174.62 175.57 1woc s VAL 11 N 0.63 3.33 -2.65 3.82 1.01 -0.13 -0.90 120.40 125.51 1woc s VAL 11 Ca -0.14 0.36 0.22 0.00 0.00 0.00 0.00 61.98 62.41 1woc s VAL 11 Cb -0.16 -3.37 0.20 0.00 0.00 0.00 0.00 36.38 33.05 1woc s VAL 11 CO 0.04 -0.19 1.21 0.00 0.00 0.00 0.00 175.10 176.16 1woc s ARG 13 N -1.75 0.24 0.33 0.00 3.00 -1.21 -4.95 118.95 114.62 1woc s ARG 13 Ca 0.27 0.25 -0.27 0.00 0.00 0.00 0.00 55.73 55.97 1woc s ARG 13 Cb 0.18 -0.72 -0.13 0.00 0.00 0.00 0.00 34.95 34.29 1woc s ARG 13 CO 0.27 -0.31 1.06 0.00 0.00 0.00 0.00 175.30 176.32 1woc n ALA 14 N 5.20 0.18 -1.78 2.13 0.00 -1.26 -3.78 120.51 121.20 1woc n ALA 14 Ca -0.05 0.35 -0.41 0.00 0.00 0.00 0.00 53.44 53.32 1woc n ALA 14 Cb 0.50 -2.08 -0.01 0.00 0.00 0.00 0.00 19.45 17.86 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 -1.72 4.13 -0.23 0.00 0.02 -1.26 -4.76 135.00 131.17 1woc s PRO 15 Ca 0.59 2.55 -0.05 0.00 0.02 0.00 0.00 61.00 64.11 1woc s PRO 15 Cb -0.64 -3.01 -0.02 0.00 0.02 0.00 0.00 34.50 30.85 1woc s PRO 15 CO 0.60 -0.58 0.01 -1.17 -0.33 0.00 0.00 177.00 175.52 1woc s LEU 16 N -0.95 3.14 -0.17 -5.54 2.96 0.14 -4.94 118.68 113.32 1woc s LEU 16 Ca 0.60 -0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 54.14 1woc s LEU 16 Cb -0.47 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 1woc s LEU 16 CO 0.52 -0.02 0.05 -0.13 -1.32 0.00 0.00 176.35 175.44 1woc s ARG 17 N 1.53 3.85 0.13 1.98 0.52 -1.26 -0.92 118.95 124.78 1woc s ARG 17 Ca 0.06 -0.36 0.03 0.00 -0.52 0.00 0.00 55.73 54.94 1woc s ARG 17 Cb -0.15 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.14 1woc s ARG 17 CO -0.00 0.32 -0.09 0.15 0.02 0.00 0.00 175.30 175.70 1woc s LYS 18 N 0.23 0.98 -0.15 3.54 1.02 -0.33 -5.01 119.74 120.02 1woc s LYS 18 Ca 0.03 -1.41 -0.01 0.00 0.02 0.00 0.00 55.97 54.60 1woc s LYS 18 Cb -0.12 -0.48 0.04 0.00 -0.52 0.00 0.00 37.83 36.75 1woc s LYS 18 CO 0.01 0.04 -0.04 0.08 -0.92 0.00 0.00 175.35 174.52 1woc s VAL 19 N -3.43 0.96 0.83 3.17 1.01 -1.26 -1.38 120.40 120.30 1woc s VAL 19 Ca 0.15 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 1woc s VAL 19 Cb 0.04 -1.14 0.09 0.00 0.00 0.00 0.00 36.38 35.36 1woc s VAL 19 CO -0.01 0.15 1.10 -0.94 0.00 0.00 0.00 175.10 175.40 1woc s SER 20 N 1.70 3.98 0.54 3.32 1.04 0.00 -4.84 113.70 119.44 1woc s SER 20 Ca 0.02 1.81 0.26 0.00 0.48 0.00 0.00 55.95 58.52 1woc s SER 20 Cb -0.15 -2.46 1.43 0.00 0.10 0.00 0.00 66.02 64.95 1woc s SER 20 CO -0.08 -2.37 2.00 -0.65 0.98 0.00 0.00 173.24 173.12 1woc h PRO 21 N -1.36 0.00 0.00 4.02 0.11 -2.01 0.27 132.00 133.03 1woc h PRO 21 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1woc h PRO 21 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1woc h PRO 21 CO 0.50 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.74 1woc n SER 22 N -4.26 0.67 0.00 -2.05 2.88 -1.26 -4.91 113.62 104.69 1woc n SER 22 Ca 0.09 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1woc n SER 22 Cb 0.59 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 1woc n SER 22 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1woc n GLY 23 N 0.99 0.87 3.67 0.46 0.00 0.94 -5.08 105.19 107.04 1woc n GLY 23 Ca 0.05 0.00 -0.39 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 5.10 0.31 -0.61 -1.09 -1.25 -4.79 121.20 116.87 1woc s ILE 24 Ca 0.00 0.98 -0.12 0.00 -2.23 0.00 0.00 60.65 59.28 1woc s ILE 24 Cb 0.00 -3.85 -0.08 0.00 -1.58 0.00 0.00 42.46 36.95 1woc s ILE 24 CO 0.00 0.18 0.68 -2.16 -1.23 0.00 0.00 174.94 172.41 1woc s PRO 25 N 1.56 3.88 -0.11 2.79 0.04 -1.26 -0.82 135.00 141.09 1woc s PRO 25 Ca 0.25 0.49 -0.15 0.00 0.04 0.00 0.00 61.00 61.63 1woc s PRO 25 Cb -0.15 -2.49 0.04 0.00 0.04 0.00 0.00 34.50 31.93 1woc s PRO 25 CO 0.10 0.17 0.38 -3.38 0.04 0.00 0.00 177.00 174.31 1woc s HIS 26 N -2.02 -0.37 -0.19 0.56 -3.43 -0.48 -1.35 115.29 108.01 1woc s HIS 26 Ca 0.51 0.84 -0.02 0.00 -0.80 0.00 0.00 55.06 55.60 1woc s HIS 26 Cb -0.10 0.14 0.00 0.00 -1.43 0.00 0.00 32.58 31.19 1woc s HIS 26 CO 0.22 -0.27 -0.11 0.00 -2.00 0.00 0.00 174.74 172.58 1woc s GLN 28 N 1.26 2.53 0.35 0.00 -0.21 -0.10 -0.56 119.66 122.93 1woc s GLN 28 Ca 0.03 -0.77 -0.15 0.00 0.02 0.00 0.00 55.36 54.50 1woc s GLN 28 Cb -0.14 -2.31 0.04 0.00 1.00 0.00 0.00 33.01 31.59 1woc s GLN 28 CO -0.05 0.53 0.70 -0.59 -2.12 0.00 0.00 175.29 173.77 1woc s PHE 29 N -0.51 0.21 -0.12 0.91 -0.71 -0.67 0.27 117.98 117.36 1woc s PHE 29 Ca 0.07 -0.75 0.03 0.00 -1.04 0.00 0.00 56.93 55.23 1woc s PHE 29 Cb -0.11 0.63 0.01 0.00 -1.21 0.00 0.00 43.02 42.33 1woc s PHE 29 CO 0.01 -1.39 -0.22 0.08 -1.34 0.00 0.00 175.22 172.36 1woc s VAL 30 N -2.89 1.97 -0.28 -2.49 1.01 -1.25 0.42 120.40 116.88 1woc s VAL 30 Ca 0.17 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 1woc s VAL 30 Cb -0.04 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1woc s VAL 30 CO 0.12 0.53 0.17 -0.22 0.00 0.00 0.00 175.10 175.70 1woc s LEU 31 N 0.68 3.95 -0.29 3.92 2.96 -1.26 -0.62 118.68 128.02 1woc s LEU 31 Ca -0.11 -0.12 -0.14 0.00 -0.22 0.00 0.00 54.13 53.54 1woc s LEU 31 Cb -0.16 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 1woc s LEU 31 CO 0.02 -0.07 0.33 -0.70 -1.32 0.00 0.00 176.35 174.60 1woc s GLU 32 N 1.72 3.91 -0.01 1.98 2.12 -0.08 -4.20 118.70 124.12 1woc s GLU 32 Ca 0.07 -0.14 0.01 0.00 0.36 0.00 0.00 54.97 55.27 1woc s GLU 32 Cb -0.16 -3.69 -0.04 0.00 0.26 0.00 0.00 34.13 30.51 1woc s GLU 32 CO 0.09 -0.31 0.00 -1.58 -0.54 0.00 0.00 175.26 172.93 1woc s HIS 33 N 1.99 3.10 -0.16 5.30 5.65 0.05 -1.11 115.29 130.11 1woc s HIS 33 Ca 0.12 0.10 -0.07 0.00 0.25 0.00 0.00 55.06 55.46 1woc s HIS 33 Cb -0.16 -1.69 0.07 0.00 -1.18 0.00 0.00 32.58 29.61 1woc s HIS 33 CO 0.11 0.46 0.37 1.03 -0.65 0.00 0.00 174.74 176.06 1woc s ARG 34 N -1.46 0.31 0.27 2.88 0.52 -1.26 -2.31 118.95 117.91 1woc s ARG 34 Ca 0.19 0.81 -0.21 0.00 -0.52 0.00 0.00 55.73 56.00 1woc s ARG 34 Cb -0.11 0.05 0.04 0.00 0.52 0.00 0.00 34.95 35.44 1woc s ARG 34 CO 0.09 -0.20 0.79 -1.54 0.02 0.00 0.00 175.30 174.46 1woc s SER 35 N 1.83 -0.19 -0.13 0.23 1.04 -0.69 -5.00 113.70 110.80 1woc s SER 35 Ca -0.06 -0.67 -0.01 0.00 0.48 0.00 0.00 55.95 55.69 1woc s SER 35 Cb -0.10 0.70 -0.02 0.00 0.10 0.00 0.00 66.02 66.70 1woc s SER 35 CO -0.12 -1.32 -0.11 -0.69 0.98 0.00 0.00 173.24 171.99 1woc s VAL 36 N -3.44 3.26 -0.02 5.02 1.01 -1.26 -0.20 120.40 124.76 1woc s VAL 36 Ca 0.12 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.56 1woc s VAL 36 Cb -0.05 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 1woc s VAL 36 CO 0.07 0.52 -0.16 -1.58 0.00 0.00 0.00 175.10 173.95 1woc s GLN 37 N 0.30 1.41 0.23 2.72 2.00 0.12 -4.93 119.66 121.51 1woc s GLN 37 Ca -0.08 -0.55 -0.30 0.00 -2.00 0.00 0.00 55.36 52.43 1woc s GLN 37 Cb -0.15 -1.31 -0.09 0.00 0.80 0.00 0.00 33.01 32.27 1woc s GLN 37 CO 0.05 0.29 1.02 -2.00 -0.50 0.00 0.00 175.29 174.14 1woc s GLU 38 N -0.18 4.74 -0.30 1.67 -6.30 -1.26 0.19 118.70 117.25 1woc s GLU 38 Ca 0.02 1.62 -0.09 0.00 -2.50 0.00 0.00 54.97 54.02 1woc s GLU 38 Cb -0.08 -3.26 0.14 0.00 0.00 0.00 0.00 34.13 30.93 1woc s GLU 38 CO 0.00 0.32 0.67 -2.00 0.02 0.00 0.00 175.26 174.28 1woc s GLU 39 N -1.00 0.55 -1.54 4.30 2.12 0.23 -4.91 118.70 118.46 1woc s GLU 39 Ca 0.44 1.32 -0.05 0.00 0.36 0.00 0.00 54.97 57.04 1woc s GLU 39 Cb -0.28 0.79 0.01 0.00 0.26 0.00 0.00 34.13 34.91 1woc s GLU 39 CO 0.35 -0.26 0.52 0.00 -0.54 0.00 0.00 175.26 175.32 1woc n ALA 40 N 5.41 -0.95 -0.86 6.30 0.00 -1.26 -1.46 120.51 127.69 1woc n ALA 40 Ca -0.10 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1woc n ALA 40 Cb 0.50 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.42 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 -1.41 0.55 3.09 0.00 0.00 -1.26 -5.04 105.19 101.12 1woc n GLY 41 Ca -0.12 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 0.83 -0.31 1.61 0.40 -0.53 -5.12 117.98 112.87 1woc s PHE 42 Ca 0.00 -0.47 -0.21 0.00 -0.60 0.00 0.00 56.93 55.66 1woc s PHE 42 Cb 0.00 -0.49 -0.01 0.00 0.51 0.00 0.00 43.02 43.03 1woc s PHE 42 CO 0.00 -0.04 0.64 -1.01 0.70 0.00 0.00 175.22 175.51 1woc s HIS 43 N -1.28 3.21 0.10 0.36 3.76 -1.26 0.77 115.29 120.95 1woc s HIS 43 Ca -0.07 0.59 0.06 0.00 -0.15 0.00 0.00 55.06 55.50 1woc s HIS 43 Cb -0.10 -3.01 -0.04 0.00 1.11 0.00 0.00 32.58 30.54 1woc s HIS 43 CO 0.01 -0.49 -0.07 1.03 -0.85 0.00 0.00 174.74 174.37 1woc s ARG 44 N 2.64 2.24 -0.26 1.40 1.81 0.13 -4.89 118.95 122.01 1woc s ARG 44 Ca 0.26 -0.97 -0.21 0.00 -1.72 0.00 0.00 55.73 53.08 1woc s ARG 44 Cb -0.15 -2.37 -0.01 0.00 -0.45 0.00 0.00 34.95 31.97 1woc s ARG 44 CO 0.12 0.52 0.68 -1.14 -0.68 0.00 0.00 175.30 174.80 1woc s GLN 45 N -2.24 4.11 -0.17 3.54 2.00 -1.26 0.10 119.66 125.75 1woc s GLN 45 Ca 0.23 0.63 -0.10 0.00 -2.00 0.00 0.00 55.36 54.12 1woc s GLN 45 Cb -0.11 -3.66 -0.05 0.00 0.80 0.00 0.00 33.01 30.00 1woc s GLN 45 CO 0.15 -0.45 0.16 0.00 -0.50 0.00 0.00 175.29 174.64 1woc s ALA 46 N 2.60 3.74 -0.10 1.58 0.00 0.72 -4.97 121.76 125.33 1woc s ALA 46 Ca 0.28 -0.64 -0.14 0.00 0.00 0.00 0.00 51.96 51.46 1woc s ALA 46 Cb -0.15 -2.14 0.03 0.00 0.00 0.00 0.00 23.12 20.86 1woc s ALA 46 CO 0.08 0.30 0.37 -0.46 0.00 0.00 0.00 175.76 176.05 1woc s TRP 47 N -0.09 -0.35 -0.19 0.00 -0.00 -1.26 -1.70 118.94 115.35 1woc s TRP 47 Ca 0.11 0.77 -0.31 0.00 -0.00 0.00 0.00 56.10 56.68 1woc s TRP 47 Cb -0.12 0.14 0.15 0.00 -0.00 0.00 0.00 33.47 33.64 1woc s TRP 47 CO 0.01 -0.28 1.14 0.00 -0.00 0.00 0.00 176.95 177.82 1woc s GLN 49 N -1.55 2.19 -0.01 0.00 -0.21 -1.26 -0.77 119.66 118.06 1woc s GLN 49 Ca 0.04 -1.81 0.03 0.00 0.02 0.00 0.00 55.36 53.65 1woc s GLN 49 Cb -0.01 -1.97 -0.01 0.00 1.00 0.00 0.00 33.01 32.03 1woc s GLN 49 CO -0.03 -0.03 -0.10 -2.14 -2.12 0.00 0.00 175.29 170.87 1woc s PRO 51 N -3.85 0.82 -0.02 2.91 0.02 -1.26 -4.84 135.00 128.78 1woc s PRO 51 Ca 0.39 -0.34 0.06 0.00 0.02 0.00 0.00 61.00 61.13 1woc s PRO 51 Cb 0.03 -0.79 -0.01 0.00 0.02 0.00 0.00 34.50 33.75 1woc s PRO 51 CO 0.22 0.20 -0.21 0.08 -0.33 0.00 0.00 177.00 176.95 1woc s VAL 52 N -0.16 1.64 -0.06 3.83 1.01 0.17 -1.82 120.40 125.01 1woc s VAL 52 Ca 0.03 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1woc s VAL 52 Cb -0.05 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1woc s VAL 52 CO -0.00 0.46 -0.16 -0.63 0.00 0.00 0.00 175.10 174.77 1woc s ILE 53 N -0.42 1.39 -0.26 2.22 -1.09 -0.64 -1.68 121.20 120.72 1woc s ILE 53 Ca 0.06 -0.66 0.01 0.00 -2.23 0.00 0.00 60.65 57.83 1woc s ILE 53 Cb -0.09 -1.22 0.05 0.00 -1.58 0.00 0.00 42.46 39.62 1woc s ILE 53 CO -0.00 0.41 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.33 1woc s VAL 54 N 0.32 2.45 0.11 2.92 1.01 0.27 -1.80 120.40 125.70 1woc s VAL 54 Ca -0.10 -1.38 0.09 0.00 0.00 0.00 0.00 61.98 60.59 1woc s VAL 54 Cb -0.14 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1woc s VAL 54 CO 0.04 0.07 -0.17 -0.44 0.00 0.00 0.00 175.10 174.60 1woc s SER 55 N 1.20 3.94 0.00 3.32 0.01 -1.26 -0.64 113.70 120.27 1woc s SER 55 Ca -0.05 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1woc s SER 55 Cb -0.18 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.47 1woc s SER 55 CO -0.05 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.39 1woc n GLY 56 N 0.79 1.00 0.23 3.44 0.00 -0.46 -4.38 105.19 105.82 1woc n GLY 56 Ca -0.15 -1.61 0.01 0.00 0.00 0.00 0.00 46.02 44.27 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 0.25 0.00 1.61 3.86 -1.94 -2.23 115.15 116.70 1woc h HIS 57 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1woc h HIS 57 Cb 0.00 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1woc h HIS 57 CO 0.00 -0.00 0.00 1.05 0.86 0.00 0.00 177.93 179.84 1woc h GLU 58 N 0.29 0.00 -0.01 2.45 9.09 -1.98 -3.01 114.58 121.42 1woc h GLU 58 Ca 0.32 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.73 1woc h GLU 58 Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.56 1woc h GLU 58 CO -0.38 0.00 -0.61 0.09 0.05 0.00 0.00 179.01 178.16 1woc n ASN 59 N -2.53 1.17 0.17 3.06 5.03 -0.84 -4.36 115.26 116.97 1woc n ASN 59 Ca 0.01 -0.96 0.04 0.00 0.87 0.00 0.00 54.58 54.54 1woc n ASN 59 Cb 0.24 0.53 0.30 0.00 -1.02 0.00 0.00 39.78 39.82 1woc n ASN 59 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 1woc h GLN 60 N 0.89 0.00 -0.98 3.52 1.08 -1.47 -3.26 115.11 114.89 1woc h GLN 60 Ca 0.00 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1woc h GLN 60 Cb 0.57 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.95 1woc h GLN 60 CO 0.00 0.44 0.64 0.00 -0.95 0.00 0.00 178.83 178.96 1woc h ALA 61 N 1.56 1.24 0.00 3.87 0.00 -1.78 -1.70 119.26 122.45 1woc h ALA 61 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1woc h ALA 61 Cb 0.93 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1woc h ALA 61 CO 0.06 0.65 0.00 0.44 0.00 0.00 0.00 179.25 180.40 1woc n ILE 62 N -4.38 0.00 0.16 0.00 -5.35 -1.23 -2.42 119.36 106.13 1woc n ILE 62 Ca 0.11 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.61 1woc n ILE 62 Cb 0.02 -0.42 0.01 0.00 -1.74 0.00 0.00 39.64 37.51 1woc n ILE 62 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1woc n THR 63 N -0.69 0.00 -0.17 7.28 -2.24 -0.64 -4.73 114.28 113.08 1woc n THR 63 Ca 0.05 -0.50 0.16 0.00 -2.27 0.00 0.00 64.05 61.50 1woc n THR 63 Cb 0.02 1.08 0.52 0.00 -2.10 0.00 0.00 70.33 69.84 1woc n THR 63 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 1woc h HIS 64 N 0.71 0.47 -0.00 4.78 2.07 -1.53 -2.55 115.15 119.09 1woc h HIS 64 Ca 0.00 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 1woc h HIS 64 Cb 0.15 -0.15 0.00 0.00 2.57 0.00 0.00 27.41 29.99 1woc h HIS 64 CO 0.00 0.17 -0.75 -1.13 -3.07 0.00 0.00 177.93 173.15 1woc n SER 65 N -4.47 1.03 -4.69 3.10 3.41 -1.26 -4.96 113.62 105.78 1woc n SER 65 Ca 0.15 -0.88 -0.42 0.00 -0.26 0.00 0.00 58.87 57.45 1woc n SER 65 Cb 0.57 0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 65.17 1woc n SER 65 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1woc s ILE 66 N -2.89 3.95 0.22 -1.33 -0.00 -0.96 -4.96 121.20 115.23 1woc s ILE 66 Ca 0.11 1.32 -0.03 0.00 -0.00 0.00 0.00 60.65 62.05 1woc s ILE 66 Cb 0.17 -3.85 -0.03 0.00 -0.00 0.00 0.00 42.46 38.75 1woc s ILE 66 CO 0.76 0.01 0.22 -0.89 -0.00 0.00 0.00 174.94 175.03 1woc s THR 67 N 2.22 0.00 0.13 8.37 2.01 -1.26 -4.63 115.64 122.48 1woc s THR 67 Ca 0.60 -1.88 -0.34 0.00 0.31 0.00 0.00 61.69 60.39 1woc s THR 67 Cb -0.29 -2.45 -0.14 0.00 0.01 0.00 0.00 72.50 69.64 1woc s THR 67 CO 0.25 0.00 1.60 0.52 -0.69 0.00 0.00 174.62 176.30 1woc n VAL 68 N -0.32 0.06 0.00 3.82 0.31 -1.26 -0.62 118.33 120.32 1woc n VAL 68 Ca 0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1woc n VAL 68 Cb 0.65 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.02 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 3.50 1.87 3.73 2.92 0.00 0.43 -4.97 105.19 112.67 1woc n GLY 69 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.52 6.63 -0.31 1.61 0.01 0.21 -4.72 113.70 115.61 1woc s SER 70 Ca 0.00 2.64 -0.10 0.00 1.31 0.00 0.00 55.95 59.80 1woc s SER 70 Cb 0.00 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.61 1woc s SER 70 CO 0.00 -0.74 0.17 -0.13 0.41 0.00 0.00 173.24 172.94 1woc s ARG 71 N 0.20 3.39 0.22 12.44 0.52 -1.26 -0.95 118.95 133.51 1woc s ARG 71 Ca 0.63 -0.69 -0.02 0.00 -0.52 0.00 0.00 55.73 55.14 1woc s ARG 71 Cb -0.42 -3.61 -0.03 0.00 0.52 0.00 0.00 34.95 31.41 1woc s ARG 71 CO 0.39 -0.41 0.19 0.96 0.02 0.00 0.00 175.30 176.45 1woc s ILE 72 N 1.64 0.00 -0.14 1.52 -0.00 -0.67 -2.90 121.20 120.65 1woc s ILE 72 Ca 0.05 -1.92 0.01 0.00 -0.00 0.00 0.00 60.65 58.78 1woc s ILE 72 Cb -0.17 -2.47 0.02 0.00 -0.00 0.00 0.00 42.46 39.84 1woc s ILE 72 CO 0.07 0.00 -0.14 -0.89 -0.00 0.00 0.00 174.94 173.98 1woc s THR 73 N -4.08 1.53 -0.13 8.37 2.01 -0.84 -0.62 115.64 121.87 1woc s THR 73 Ca 0.37 -0.62 -0.06 0.00 0.31 0.00 0.00 61.69 61.69 1woc s THR 73 Cb 0.06 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 1woc s THR 73 CO 0.13 0.45 0.07 -0.69 -0.69 0.00 0.00 174.62 173.89 1woc s VAL 74 N 1.37 4.91 -0.07 3.82 1.01 -0.07 -1.09 120.40 130.29 1woc s VAL 74 Ca 0.02 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.04 1woc s VAL 74 Cb -0.13 -3.15 -0.00 0.00 0.00 0.00 0.00 36.38 33.10 1woc s VAL 74 CO -0.08 0.55 -0.21 -1.58 0.00 0.00 0.00 175.10 173.78 1woc s GLN 75 N -0.45 2.45 0.00 2.72 0.74 -0.32 -0.76 119.66 124.03 1woc s GLN 75 Ca 0.10 -0.74 0.00 0.00 0.05 0.00 0.00 55.36 54.77 1woc s GLN 75 Cb -0.12 -1.95 0.00 0.00 1.10 0.00 0.00 33.01 32.04 1woc s GLN 75 CO 0.02 0.20 0.00 0.41 -0.55 0.00 0.00 175.29 175.37 1woc n GLY 76 N 3.40 0.63 3.58 2.59 0.00 -0.83 -0.11 105.19 114.44 1woc n GLY 76 Ca -0.19 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.02 2.62 0.10 1.61 -0.12 -0.75 -0.85 117.98 118.56 1woc s PHE 77 Ca 0.00 -0.23 0.03 0.00 -0.05 0.00 0.00 56.93 56.68 1woc s PHE 77 Cb 0.00 -1.24 -0.04 0.00 -0.63 0.00 0.00 43.02 41.11 1woc s PHE 77 CO 0.00 0.55 0.12 0.96 -0.05 0.00 0.00 175.22 176.80 1woc s ILE 78 N -1.91 4.66 0.06 -4.49 -4.36 -1.26 -0.30 121.20 113.60 1woc s ILE 78 Ca 0.27 -0.80 -0.21 0.00 -0.26 0.00 0.00 60.65 59.64 1woc s ILE 78 Cb -0.08 -3.29 0.05 0.00 1.25 0.00 0.00 42.46 40.39 1woc s ILE 78 CO 0.16 0.05 0.50 -0.55 0.24 0.00 0.00 174.94 175.34 1woc s SER 79 N -2.64 -0.41 -0.17 4.36 0.15 -0.53 -4.98 113.70 109.48 1woc s SER 79 Ca 0.31 0.10 -0.07 0.00 0.70 0.00 0.00 55.95 56.98 1woc s SER 79 Cb -0.12 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.64 1woc s SER 79 CO 0.23 -0.73 0.07 0.00 1.20 0.00 0.00 173.24 174.01 1woc s HIS 81 N 0.19 2.02 -0.27 0.00 3.76 -0.23 -4.95 115.29 115.81 1woc s HIS 81 Ca 0.05 -0.42 -0.17 0.00 -0.15 0.00 0.00 55.06 54.37 1woc s HIS 81 Cb -0.12 -0.98 -0.03 0.00 1.11 0.00 0.00 32.58 32.56 1woc s HIS 81 CO 0.00 0.44 0.46 0.21 -0.85 0.00 0.00 174.74 175.00 1woc s LYS 82 N -2.92 4.04 0.63 1.40 2.20 -1.26 0.33 119.74 124.16 1woc s LYS 82 Ca 0.20 0.21 -0.11 0.00 -0.36 0.00 0.00 55.97 55.90 1woc s LYS 82 Cb -0.06 -3.66 -0.03 0.00 -1.51 0.00 0.00 37.83 32.57 1woc s LYS 82 CO 0.09 -0.33 1.04 0.00 -0.36 0.00 0.00 175.35 175.79 1woc s ALA 83 N 2.22 3.05 0.55 3.13 0.00 0.60 -4.94 121.76 126.36 1woc s ALA 83 Ca 0.19 -0.09 0.42 0.00 0.00 0.00 0.00 51.96 52.49 1woc s ALA 83 Cb -0.16 -3.09 2.23 0.00 0.00 0.00 0.00 23.12 22.11 1woc s ALA 83 CO 0.09 -0.77 2.29 1.57 0.00 0.00 0.00 175.76 178.95 1woc h LYS 84 N -0.38 0.00 0.00 0.00 2.10 -1.97 0.99 116.57 117.31 1woc h LYS 84 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1woc h LYS 84 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1woc h LYS 84 CO 0.62 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.34 1woc n ASN 85 N -3.06 0.39 0.00 7.07 6.94 -1.26 -4.91 115.26 120.43 1woc n ASN 85 Ca -0.02 0.55 0.00 0.00 -0.02 0.00 0.00 54.58 55.09 1woc n ASN 85 Cb 0.11 -0.65 0.00 0.00 -2.36 0.00 0.00 39.78 36.88 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 1.03 2.20 3.81 4.83 0.00 0.34 -5.08 105.19 112.31 1woc n GLY 86 Ca 0.05 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 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 4.05 -0.26 0.99 2.01 -1.26 -4.63 118.68 119.58 1woc s LEU 87 Ca 0.00 1.74 -0.17 0.00 0.01 0.00 0.00 54.13 55.71 1woc s LEU 87 Cb 0.00 -4.39 -0.03 0.00 0.01 0.00 0.00 46.19 41.78 1woc s LEU 87 CO 0.00 -0.29 0.49 -0.94 1.01 0.00 0.00 176.35 176.62 1woc s SER 88 N -2.01 6.39 0.00 2.29 1.04 -1.26 -0.29 113.70 119.86 1woc s SER 88 Ca 0.59 0.46 0.00 0.00 0.48 0.00 0.00 55.95 57.48 1woc s SER 88 Cb -0.12 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1woc s SER 88 CO 0.16 -0.27 0.00 0.29 0.98 0.00 0.00 173.24 174.40 1woc n LYS 89 N 5.51 1.67 0.00 4.02 5.02 0.15 -4.83 118.16 129.70 1woc n LYS 89 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1woc n LYS 89 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 1woc n LYS 89 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1woc n VAL 91 N 0.00 0.00 -3.68 -0.18 0.31 0.12 -1.07 118.33 113.84 1woc n VAL 91 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 1woc n VAL 91 Cb 0.00 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.81 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 4.07 -0.54 7.52 2.96 -0.75 -1.45 118.68 130.48 1woc s LEU 92 Ca 0.00 -0.58 -0.23 0.00 -0.22 0.00 0.00 54.13 53.11 1woc s LEU 92 Cb 0.00 -1.98 0.05 0.00 0.50 0.00 0.00 46.19 44.76 1woc s LEU 92 CO 0.00 -0.20 0.85 -1.00 -1.32 0.00 0.00 176.35 174.68 1woc s HIS 93 N 1.59 2.86 0.31 5.38 3.76 0.59 -1.62 115.29 128.16 1woc s HIS 93 Ca 0.04 -0.19 -0.29 0.00 -0.15 0.00 0.00 55.06 54.47 1woc s HIS 93 Cb -0.17 -3.93 -0.10 0.00 1.11 0.00 0.00 32.58 29.49 1woc s HIS 93 CO 0.05 -1.27 1.20 0.00 -0.85 0.00 0.00 174.74 173.87 1woc s ALA 94 N 3.56 3.44 -0.01 -1.40 0.00 -0.74 -1.81 121.76 124.80 1woc s ALA 94 Ca 0.25 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1woc s ALA 94 Cb -0.15 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 1woc s ALA 94 CO 0.17 -0.40 -0.01 -1.91 0.00 0.00 0.00 175.76 173.61 1woc n GLU 95 N 0.97 0.50 -4.11 0.00 2.13 0.84 -4.72 120.64 116.26 1woc n GLU 95 Ca -0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 1woc n GLU 95 Cb 0.43 -1.02 -0.12 0.00 0.27 0.00 0.00 31.44 31.01 1woc n GLU 95 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1woc s GLN 96 N -2.02 0.59 -0.08 5.31 1.11 -0.50 -5.01 119.66 119.07 1woc s GLN 96 Ca -0.01 -0.74 -0.03 0.00 0.01 0.00 0.00 55.36 54.59 1woc s GLN 96 Cb 0.00 -0.44 0.04 0.00 -1.01 0.00 0.00 33.01 31.60 1woc s GLN 96 CO 0.02 0.09 0.07 0.42 0.01 0.00 0.00 175.29 175.90 1woc s ILE 97 N -1.21 -0.10 -0.11 1.08 1.01 -1.26 -1.17 121.20 119.42 1woc s ILE 97 Ca -0.07 0.27 -0.17 0.00 0.00 0.00 0.00 60.65 60.68 1woc s ILE 97 Cb -0.09 -0.27 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 1woc s ILE 97 CO 0.01 0.05 0.43 -0.70 0.00 0.00 0.00 174.94 174.73 1woc s GLU 98 N 2.16 4.28 -0.78 2.79 2.12 -0.25 -4.94 118.70 124.08 1woc s GLU 98 Ca 0.04 0.36 -0.16 0.00 0.36 0.00 0.00 54.97 55.58 1woc s GLU 98 Cb -0.13 -3.41 0.18 0.00 0.26 0.00 0.00 34.13 31.03 1woc s GLU 98 CO -0.05 0.24 0.79 -0.51 -0.54 0.00 0.00 175.26 175.19 1woc s LEU 99 N 0.40 6.23 0.06 2.70 1.43 -1.26 -2.00 118.68 126.23 1woc s LEU 99 Ca 0.24 -2.31 0.07 0.00 -1.03 0.00 0.00 54.13 51.10 1woc s LEU 99 Cb -0.15 -2.25 0.34 0.00 0.03 0.00 0.00 46.19 44.15 1woc s LEU 99 CO 0.09 -0.76 1.22 2.30 0.23 0.00 0.00 176.35 179.43 1woc n ILE 100 N 4.60 1.61 -0.70 -0.59 -5.35 -1.14 -5.05 119.36 112.74 1woc n ILE 100 Ca 0.09 0.47 0.00 0.00 -0.27 0.00 0.00 62.75 63.05 1woc n ILE 100 Cb 0.46 -1.42 0.00 0.00 -1.74 0.00 0.00 39.64 36.94 1woc n ILE 100 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26