#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 -0.76 -0.09 8.00 3.04 -1.26 -5.13 114.94 118.74 1woc s ASN 3 Ca 0.00 -1.05 -0.03 0.00 0.04 0.00 0.00 52.86 51.82 1woc s ASN 3 Cb 0.00 1.56 0.05 0.00 -1.54 0.00 0.00 41.25 41.31 1woc s ASN 3 CO 0.00 -0.19 0.10 -0.60 -3.04 0.00 0.00 177.10 173.37 1woc s ARG 4 N 1.69 -0.00 -0.12 0.43 3.52 -1.26 -4.31 118.95 118.89 1woc s ARG 4 Ca 0.17 0.28 0.01 0.00 -0.13 0.00 0.00 55.73 56.06 1woc s ARG 4 Cb -0.07 -0.87 -0.01 0.00 -1.56 0.00 0.00 34.95 32.44 1woc s ARG 4 CO -0.06 -0.44 -0.17 -1.17 -0.81 0.00 0.00 175.30 172.66 1woc s LEU 5 N 2.20 2.50 -0.15 -0.88 2.96 0.33 -4.98 118.68 120.66 1woc s LEU 5 Ca 0.04 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1woc s LEU 5 Cb -0.13 -1.55 0.01 0.00 0.50 0.00 0.00 46.19 45.02 1woc s LEU 5 CO -0.06 0.15 -0.19 0.68 -1.32 0.00 0.00 176.35 175.61 1woc s VAL 6 N 0.40 2.25 -0.09 1.68 -7.23 -1.26 -1.65 120.40 114.51 1woc s VAL 6 Ca -0.13 -0.90 -0.06 0.00 -1.81 0.00 0.00 61.98 59.08 1woc s VAL 6 Cb -0.16 -1.93 0.03 0.00 0.56 0.00 0.00 36.38 34.88 1woc s VAL 6 CO 0.06 0.53 0.22 -0.22 -0.31 0.00 0.00 175.10 175.39 1woc s LEU 7 N 0.94 0.86 0.19 1.32 2.96 0.08 -4.98 118.68 120.05 1woc s LEU 7 Ca -0.04 0.46 0.06 0.00 -0.22 0.00 0.00 54.13 54.39 1woc s LEU 7 Cb -0.15 0.71 -0.04 0.00 0.50 0.00 0.00 46.19 47.22 1woc s LEU 7 CO -0.04 -0.11 0.13 -0.94 -1.32 0.00 0.00 176.35 174.07 1woc s SER 8 N 0.61 5.42 0.00 3.68 1.04 -1.26 -0.15 113.70 123.03 1woc s SER 8 Ca -0.04 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1woc s SER 8 Cb -0.05 -1.37 0.00 0.00 0.10 0.00 0.00 66.02 64.69 1woc s SER 8 CO -0.03 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.84 1woc n GLY 9 N -0.56 -1.40 3.35 7.32 0.00 0.05 -4.47 105.19 109.49 1woc n GLY 9 Ca -0.08 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.65 2.90 0.08 2.61 2.01 -0.01 -1.02 115.64 119.55 1woc s THR 10 Ca 0.00 -0.72 -0.31 0.00 0.31 0.00 0.00 61.69 60.97 1woc s THR 10 Cb 0.00 -2.20 -0.09 0.00 0.01 0.00 0.00 72.50 70.22 1woc s THR 10 CO 0.00 0.53 1.77 -0.69 -0.69 0.00 0.00 174.62 175.54 1woc s VAL 11 N 0.31 2.88 -0.85 3.82 1.01 0.58 -0.84 120.40 127.32 1woc s VAL 11 Ca -0.11 0.26 0.09 0.00 0.00 0.00 0.00 61.98 62.21 1woc s VAL 11 Cb -0.16 -3.17 0.18 0.00 0.00 0.00 0.00 36.38 33.23 1woc s VAL 11 CO 0.06 -0.01 1.06 0.00 0.00 0.00 0.00 175.10 176.22 1woc s ARG 13 N -0.91 0.27 -0.06 0.00 0.52 -1.26 -4.96 118.95 112.55 1woc s ARG 13 Ca 0.16 0.49 -0.40 0.00 -0.52 0.00 0.00 55.73 55.46 1woc s ARG 13 Cb 0.09 -0.00 -0.18 0.00 0.52 0.00 0.00 34.95 35.38 1woc s ARG 13 CO 0.12 -0.11 1.32 0.00 0.02 0.00 0.00 175.30 176.65 1woc n ALA 14 N 3.70 -1.94 -1.79 2.13 0.00 -1.26 -4.25 120.51 117.10 1woc n ALA 14 Ca -0.20 0.53 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 1woc n ALA 14 Cb 0.55 -1.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.02 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 0.98 4.16 -0.44 0.00 0.02 -1.26 -4.78 135.00 133.67 1woc s PRO 15 Ca 0.91 2.47 -0.21 0.00 0.02 0.00 0.00 61.00 64.18 1woc s PRO 15 Cb -1.15 -4.05 0.03 0.00 0.02 0.00 0.00 34.50 29.34 1woc s PRO 15 CO 0.57 -0.90 0.69 -1.17 -0.33 0.00 0.00 177.00 175.85 1woc s LEU 16 N 4.14 4.44 -0.13 -5.54 0.20 0.21 -4.91 118.68 117.09 1woc s LEU 16 Ca 0.83 -0.29 -0.05 0.00 0.69 0.00 0.00 54.13 55.31 1woc s LEU 16 Cb -0.40 -2.79 -0.04 0.00 -0.43 0.00 0.00 46.19 42.54 1woc s LEU 16 CO 0.37 -0.83 0.04 -0.13 -0.29 0.00 0.00 176.35 175.52 1woc s ARG 17 N 2.96 3.46 0.34 1.98 0.52 -1.26 -0.81 118.95 126.14 1woc s ARG 17 Ca 0.25 -0.35 -0.18 0.00 -0.52 0.00 0.00 55.73 54.93 1woc s ARG 17 Cb -0.14 -3.01 0.04 0.00 0.52 0.00 0.00 34.95 32.36 1woc s ARG 17 CO 0.20 0.53 0.78 -1.59 0.02 0.00 0.00 175.30 175.24 1woc s LYS 18 N -0.38 2.02 -0.04 3.54 -2.85 -0.59 -5.03 119.74 116.41 1woc s LYS 18 Ca 0.09 -1.24 0.02 0.00 -1.00 0.00 0.00 55.97 53.84 1woc s LYS 18 Cb -0.12 0.60 0.01 0.00 -2.06 0.00 0.00 37.83 36.26 1woc s LYS 18 CO 0.02 -0.94 -0.10 0.08 0.10 0.00 0.00 175.35 174.51 1woc s VAL 19 N -2.86 0.91 0.76 1.79 1.01 -1.26 -0.94 120.40 119.81 1woc s VAL 19 Ca 0.14 -0.40 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 1woc s VAL 19 Cb -0.05 -0.82 0.06 0.00 0.00 0.00 0.00 36.38 35.57 1woc s VAL 19 CO 0.09 0.29 1.15 -0.94 0.00 0.00 0.00 175.10 175.70 1woc s SER 20 N 0.38 4.15 0.43 3.32 1.04 0.10 -4.82 113.70 118.30 1woc s SER 20 Ca -0.07 2.15 0.28 0.00 0.48 0.00 0.00 55.95 58.80 1woc s SER 20 Cb -0.11 -2.56 1.54 0.00 0.10 0.00 0.00 66.02 64.99 1woc s SER 20 CO 0.01 -2.28 1.87 1.55 0.98 0.00 0.00 173.24 175.37 1woc h PRO 21 N -0.72 0.00 -0.70 4.02 0.13 -2.01 0.39 132.00 133.11 1woc h PRO 21 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1woc h PRO 21 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1woc h PRO 21 CO 0.49 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.13 1woc n SER 22 N -2.50 4.13 0.00 1.44 3.41 -1.26 -4.95 113.62 113.89 1woc n SER 22 Ca -0.02 -2.15 0.00 0.00 -0.26 0.00 0.00 58.87 56.44 1woc n SER 22 Cb 0.05 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 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 1.47 0.62 3.57 5.00 0.00 0.14 -5.04 105.19 110.95 1woc n GLY 23 Ca 0.24 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 4.94 0.27 -0.61 -1.09 -1.25 -4.74 121.20 116.72 1woc s ILE 24 Ca 0.00 0.54 -0.30 0.00 -2.23 0.00 0.00 60.65 58.67 1woc s ILE 24 Cb 0.00 -4.02 -0.09 0.00 -1.58 0.00 0.00 42.46 36.76 1woc s ILE 24 CO 0.00 -0.25 1.08 -2.16 -1.23 0.00 0.00 174.94 172.38 1woc s PRO 25 N 2.58 4.67 -0.09 2.79 0.04 -1.26 0.01 135.00 143.73 1woc s PRO 25 Ca 0.22 1.76 -0.10 0.00 0.04 0.00 0.00 61.00 62.93 1woc s PRO 25 Cb -0.15 -3.20 0.03 0.00 0.04 0.00 0.00 34.50 31.21 1woc s PRO 25 CO 0.14 0.25 0.27 -3.38 0.04 0.00 0.00 177.00 174.32 1woc s HIS 26 N -1.12 -0.27 -0.12 0.56 -3.43 -0.12 -1.39 115.29 109.41 1woc s HIS 26 Ca 0.44 0.64 0.01 0.00 -0.80 0.00 0.00 55.06 55.35 1woc s HIS 26 Cb -0.31 0.09 0.02 0.00 -1.43 0.00 0.00 32.58 30.95 1woc s HIS 26 CO 0.40 -0.18 -0.12 0.00 -2.00 0.00 0.00 174.74 172.83 1woc s GLN 28 N 1.31 2.27 0.24 0.00 -0.21 0.01 -1.17 119.66 122.11 1woc s GLN 28 Ca -0.01 -0.87 -0.21 0.00 0.02 0.00 0.00 55.36 54.30 1woc s GLN 28 Cb -0.14 -2.30 0.06 0.00 1.00 0.00 0.00 33.01 31.64 1woc s GLN 28 CO -0.06 0.57 0.93 -0.59 -2.12 0.00 0.00 175.29 174.02 1woc s PHE 29 N -0.91 0.02 -0.08 0.91 -0.71 -0.85 0.64 117.98 117.00 1woc s PHE 29 Ca 0.15 -0.48 0.03 0.00 -1.04 0.00 0.00 56.93 55.59 1woc s PHE 29 Cb -0.11 0.73 -0.02 0.00 -1.21 0.00 0.00 43.02 42.42 1woc s PHE 29 CO 0.05 -1.11 -0.18 0.08 -1.34 0.00 0.00 175.22 172.72 1woc s VAL 30 N -2.60 2.68 -0.29 -2.49 1.01 -1.26 -0.52 120.40 116.93 1woc s VAL 30 Ca 0.17 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 1woc s VAL 30 Cb -0.03 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1woc s VAL 30 CO 0.06 0.56 0.08 -0.22 0.00 0.00 0.00 175.10 175.59 1woc s LEU 31 N -0.14 3.78 -0.24 3.92 2.96 -1.26 -1.19 118.68 126.51 1woc s LEU 31 Ca -0.02 -0.61 -0.18 0.00 -0.22 0.00 0.00 54.13 53.09 1woc s LEU 31 Cb -0.14 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 1woc s LEU 31 CO 0.04 -0.16 0.50 -0.70 -1.32 0.00 0.00 176.35 174.70 1woc s GLU 32 N 1.52 4.11 -0.07 1.98 2.12 -0.02 -4.13 118.70 124.22 1woc s GLU 32 Ca 0.03 0.33 0.03 0.00 0.36 0.00 0.00 54.97 55.72 1woc s GLU 32 Cb -0.17 -3.61 -0.02 0.00 0.26 0.00 0.00 34.13 30.59 1woc s GLU 32 CO 0.03 -0.26 -0.14 -1.58 -0.54 0.00 0.00 175.26 172.77 1woc s HIS 33 N 2.01 2.73 -0.04 5.30 5.65 0.10 -0.83 115.29 130.21 1woc s HIS 33 Ca 0.22 -0.30 -0.01 0.00 0.25 0.00 0.00 55.06 55.22 1woc s HIS 33 Cb -0.15 -1.69 0.03 0.00 -1.18 0.00 0.00 32.58 29.58 1woc s HIS 33 CO 0.09 0.07 0.08 1.03 -0.65 0.00 0.00 174.74 175.36 1woc s ARG 34 N -0.43 0.03 0.20 2.88 0.52 -1.26 -1.94 118.95 118.96 1woc s ARG 34 Ca 0.05 0.23 -0.23 0.00 -0.52 0.00 0.00 55.73 55.26 1woc s ARG 34 Cb -0.12 -0.16 0.05 0.00 0.52 0.00 0.00 34.95 35.24 1woc s ARG 34 CO 0.02 -0.13 0.75 -1.54 0.02 0.00 0.00 175.30 174.42 1woc s SER 35 N 0.86 -0.33 -0.15 0.23 1.04 -0.73 -5.00 113.70 109.62 1woc s SER 35 Ca -0.07 -0.38 -0.07 0.00 0.48 0.00 0.00 55.95 55.91 1woc s SER 35 Cb -0.09 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 1woc s SER 35 CO -0.03 -1.12 0.10 -0.69 0.98 0.00 0.00 173.24 172.48 1woc s VAL 36 N -3.70 5.19 0.03 5.02 1.01 -1.26 -1.01 120.40 125.68 1woc s VAL 36 Ca 0.08 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.21 1woc s VAL 36 Cb -0.04 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 1woc s VAL 36 CO 0.00 0.53 -0.14 -1.10 0.00 0.00 0.00 175.10 174.38 1woc s GLN 37 N -0.27 1.00 -0.25 2.72 -1.52 0.16 -4.91 119.66 116.59 1woc s GLN 37 Ca 0.10 -0.70 -0.09 0.00 -1.95 0.00 0.00 55.36 52.72 1woc s GLN 37 Cb -0.12 -1.01 -0.04 0.00 -0.22 0.00 0.00 33.01 31.63 1woc s GLN 37 CO 0.01 0.26 0.11 -2.00 -0.25 0.00 0.00 175.29 173.42 1woc s GLU 38 N -0.94 3.83 -0.10 2.91 2.12 -1.26 -0.63 118.70 124.63 1woc s GLU 38 Ca 0.03 -0.39 -0.02 0.00 0.36 0.00 0.00 54.97 54.95 1woc s GLU 38 Cb -0.07 -3.43 0.03 0.00 0.26 0.00 0.00 34.13 30.92 1woc s GLU 38 CO 0.01 -0.09 -0.00 -2.00 -0.54 0.00 0.00 175.26 172.64 1woc s GLU 39 N 1.41 0.71 -1.44 4.30 2.12 0.72 -4.80 118.70 121.73 1woc s GLU 39 Ca 0.06 -0.02 -0.07 0.00 0.36 0.00 0.00 54.97 55.31 1woc s GLU 39 Cb -0.15 -1.23 0.03 0.00 0.26 0.00 0.00 34.13 33.05 1woc s GLU 39 CO 0.06 -0.36 0.58 0.00 -0.54 0.00 0.00 175.26 175.00 1woc n ALA 40 N 5.11 -1.02 0.00 6.30 0.00 -1.26 -1.15 120.51 128.48 1woc n ALA 40 Ca -0.08 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1woc n ALA 40 Cb 0.50 -3.49 0.00 0.00 0.00 0.00 0.00 19.45 16.46 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 -1.40 2.19 3.92 0.00 0.00 -1.26 -5.04 105.19 103.61 1woc n GLY 41 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.33 3.48 -0.36 1.61 0.40 -0.30 -5.07 117.98 115.41 1woc s PHE 42 Ca 0.00 0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 56.58 1woc s PHE 42 Cb 0.00 -1.87 0.01 0.00 0.51 0.00 0.00 43.02 41.66 1woc s PHE 42 CO 0.00 0.37 0.22 -1.01 0.70 0.00 0.00 175.22 175.50 1woc s HIS 43 N -1.87 3.22 0.18 0.36 3.76 -1.26 -0.20 115.29 119.48 1woc s HIS 43 Ca 0.39 -0.61 0.06 0.00 -0.15 0.00 0.00 55.06 54.75 1woc s HIS 43 Cb -0.11 -2.46 -0.05 0.00 1.11 0.00 0.00 32.58 31.08 1woc s HIS 43 CO 0.29 -0.52 -0.13 -0.98 -0.85 0.00 0.00 174.74 172.55 1woc s ARG 44 N 1.63 1.20 0.00 1.40 1.70 0.19 -4.95 118.95 120.12 1woc s ARG 44 Ca 0.04 -1.52 -0.12 0.00 -0.47 0.00 0.00 55.73 53.67 1woc s ARG 44 Cb -0.18 -0.89 -0.05 0.00 -0.57 0.00 0.00 34.95 33.25 1woc s ARG 44 CO 0.08 0.14 0.36 -1.14 -1.08 0.00 0.00 175.30 173.65 1woc s GLN 45 N -3.65 3.79 -0.10 3.89 0.74 -1.26 0.35 119.66 123.41 1woc s GLN 45 Ca 0.19 0.24 -0.00 0.00 0.05 0.00 0.00 55.36 55.85 1woc s GLN 45 Cb 0.01 -3.15 -0.03 0.00 1.10 0.00 0.00 33.01 30.94 1woc s GLN 45 CO 0.04 0.67 -0.08 0.00 -0.55 0.00 0.00 175.29 175.37 1woc s ALA 46 N -1.16 2.86 -0.11 1.58 0.00 -0.18 -4.91 121.76 119.85 1woc s ALA 46 Ca 0.25 -0.88 -0.16 0.00 0.00 0.00 0.00 51.96 51.16 1woc s ALA 46 Cb -0.15 -1.27 0.04 0.00 0.00 0.00 0.00 23.12 21.74 1woc s ALA 46 CO 0.13 0.41 0.42 -0.46 0.00 0.00 0.00 175.76 176.26 1woc s TRP 47 N -0.25 -0.41 -0.15 0.00 -0.00 -1.26 -1.77 118.94 115.10 1woc s TRP 47 Ca 0.03 0.91 -0.31 0.00 -0.00 0.00 0.00 56.10 56.73 1woc s TRP 47 Cb -0.13 0.17 0.13 0.00 -0.00 0.00 0.00 33.47 33.64 1woc s TRP 47 CO 0.03 -0.31 1.06 0.00 -0.00 0.00 0.00 176.95 177.73 1woc s GLN 49 N -1.70 2.09 -0.02 0.00 -0.21 -1.26 0.03 119.66 118.58 1woc s GLN 49 Ca 0.03 -1.64 0.03 0.00 0.02 0.00 0.00 55.36 53.80 1woc s GLN 49 Cb -0.01 -1.98 0.00 0.00 1.00 0.00 0.00 33.01 32.02 1woc s GLN 49 CO -0.03 0.24 -0.10 -2.14 -2.12 0.00 0.00 175.29 171.13 1woc s PRO 51 N -3.67 1.05 -0.02 2.91 0.02 -1.26 -4.81 135.00 129.21 1woc s PRO 51 Ca 0.33 -0.36 0.04 0.00 0.02 0.00 0.00 61.00 61.03 1woc s PRO 51 Cb -0.03 -0.97 -0.00 0.00 0.02 0.00 0.00 34.50 33.51 1woc s PRO 51 CO 0.19 0.15 -0.13 0.08 -0.33 0.00 0.00 177.00 176.96 1woc s VAL 52 N 0.10 1.04 -0.05 3.83 1.01 0.32 -0.10 120.40 126.54 1woc s VAL 52 Ca -0.02 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1woc s VAL 52 Cb -0.08 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.41 1woc s VAL 52 CO 0.01 0.30 -0.15 -0.51 0.00 0.00 0.00 175.10 174.75 1woc s ILE 53 N -0.06 1.28 -0.32 2.22 2.07 0.13 -2.00 121.20 124.53 1woc s ILE 53 Ca 0.00 -0.61 0.01 0.00 -1.41 0.00 0.00 60.65 58.64 1woc s ILE 53 Cb -0.08 -1.13 0.07 0.00 0.13 0.00 0.00 42.46 41.46 1woc s ILE 53 CO 0.00 0.38 0.02 -0.69 -1.91 0.00 0.00 174.94 172.74 1woc s VAL 54 N 0.28 2.66 0.16 4.00 1.01 -0.32 -0.94 120.40 127.26 1woc s VAL 54 Ca -0.08 -1.78 0.07 0.00 0.00 0.00 0.00 61.98 60.19 1woc s VAL 54 Cb -0.13 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1woc s VAL 54 CO 0.03 -0.30 -0.02 -0.44 0.00 0.00 0.00 175.10 174.37 1woc s SER 55 N 1.23 4.69 0.00 3.32 0.01 -1.26 -1.17 113.70 120.52 1woc s SER 55 Ca -0.00 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1woc s SER 55 Cb -0.20 -0.97 0.00 0.00 0.21 0.00 0.00 66.02 65.05 1woc s SER 55 CO -0.04 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.32 1woc n GLY 56 N 0.01 1.55 0.22 3.44 0.00 -0.48 -4.72 105.19 105.21 1woc n GLY 56 Ca -0.10 -1.79 -0.01 0.00 0.00 0.00 0.00 46.02 44.12 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 0.34 0.00 1.61 3.86 -1.95 -3.33 115.15 115.68 1woc h HIS 57 Ca 0.00 -0.07 0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1woc h HIS 57 Cb 0.00 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.34 1woc h HIS 57 CO 0.00 0.58 -0.26 0.93 0.86 0.00 0.00 177.93 180.04 1woc h GLU 58 N 0.27 -0.38 -0.22 2.45 5.08 -1.98 -3.04 114.58 116.75 1woc h GLU 58 Ca 0.04 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1woc h GLU 58 Cb 0.67 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1woc h GLU 58 CO 0.05 -0.26 0.00 0.09 -1.00 0.00 0.00 179.01 177.89 1woc n ASN 59 N -5.37 1.63 -0.17 1.42 3.02 -1.25 -4.38 115.26 110.15 1woc n ASN 59 Ca -0.05 -1.81 -0.10 0.00 -0.03 0.00 0.00 54.58 52.59 1woc n ASN 59 Cb 0.29 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 1woc n ASN 59 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1woc h GLN 60 N 2.00 0.94 0.00 3.52 1.08 -1.63 -3.11 115.11 117.92 1woc h GLN 60 Ca 0.00 -0.34 -0.00 0.00 -1.45 0.00 0.00 58.65 56.85 1woc h GLN 60 Cb 0.45 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1woc h GLN 60 CO 0.00 1.01 -0.00 0.00 -0.95 0.00 0.00 178.83 178.89 1woc h ALA 61 N 0.91 -0.00 -1.05 3.87 0.00 -1.78 -3.01 119.26 118.19 1woc h ALA 61 Ca 0.13 -0.12 0.27 0.00 0.00 0.00 0.00 54.91 55.19 1woc h ALA 61 Cb 0.64 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.33 1woc h ALA 61 CO 0.04 -0.38 0.67 0.82 0.00 0.00 0.00 179.25 180.40 1woc h ILE 62 N -0.25 0.49 0.00 0.00 2.04 -1.83 0.90 117.51 118.86 1woc h ILE 62 Ca -0.00 -0.14 -0.11 0.00 1.00 0.00 0.00 64.86 65.61 1woc h ILE 62 Cb 0.25 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 1woc h ILE 62 CO 0.00 0.07 -0.51 0.71 0.00 0.00 0.00 178.15 178.43 1woc h THR 63 N 0.40 1.32 -0.97 -0.27 1.35 -1.45 -3.19 112.91 110.11 1woc h THR 63 Ca 0.62 -1.77 0.28 0.00 -0.55 0.00 0.00 66.41 65.00 1woc h THR 63 Cb 1.53 1.96 -0.04 0.00 -1.73 0.00 0.00 68.15 69.88 1woc h THR 63 CO -0.34 0.50 0.87 0.45 -0.25 0.00 0.00 175.52 176.74 1woc h HIS 64 N 0.00 0.00 -0.03 4.73 3.86 -0.80 0.93 115.15 123.84 1woc h HIS 64 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1woc h HIS 64 Cb 0.92 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.39 1woc h HIS 64 CO 0.00 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 177.66 1woc n SER 65 N -3.76 0.78 -4.70 2.45 3.41 -1.20 -4.86 113.62 105.74 1woc n SER 65 Ca 0.21 -1.33 -0.35 0.00 -0.26 0.00 0.00 58.87 57.14 1woc n SER 65 Cb 1.19 -0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 65.04 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 -1.97 4.55 0.34 -1.33 -4.36 0.32 -5.00 121.20 113.74 1woc s ILE 66 Ca 0.40 -0.15 -0.07 0.00 -0.26 0.00 0.00 60.65 60.57 1woc s ILE 66 Cb 0.20 -2.95 0.01 0.00 1.25 0.00 0.00 42.46 40.97 1woc s ILE 66 CO 0.33 0.58 0.54 0.28 0.24 0.00 0.00 174.94 176.91 1woc s THR 67 N -0.65 0.00 0.01 8.37 -1.32 -1.26 -4.81 115.64 115.98 1woc s THR 67 Ca 0.11 -1.45 -0.32 0.00 -1.21 0.00 0.00 61.69 58.82 1woc s THR 67 Cb -0.12 -2.64 -0.11 0.00 -1.51 0.00 0.00 72.50 68.13 1woc s THR 67 CO 0.02 0.00 1.90 0.52 -2.21 0.00 0.00 174.62 174.85 1woc n VAL 68 N -0.54 0.59 0.00 5.08 0.31 -1.26 -0.78 118.33 121.74 1woc n VAL 68 Ca -0.01 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1woc n VAL 68 Cb 0.61 -2.07 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 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 4.39 2.41 3.74 2.92 0.00 -0.41 -5.02 105.19 113.22 1woc n GLY 69 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1woc n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1woc s SER 70 N -1.62 6.85 -0.21 1.61 0.15 0.04 -4.74 113.70 115.78 1woc s SER 70 Ca 0.00 2.49 -0.08 0.00 0.70 0.00 0.00 55.95 59.06 1woc s SER 70 Cb 0.00 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 1woc s SER 70 CO 0.00 -0.54 0.08 -0.13 1.20 0.00 0.00 173.24 173.84 1woc s ARG 71 N -0.50 3.88 0.20 5.44 0.52 -1.26 -0.30 118.95 126.92 1woc s ARG 71 Ca 0.55 -0.38 -0.03 0.00 -0.52 0.00 0.00 55.73 55.36 1woc s ARG 71 Cb -0.38 -3.28 -0.03 0.00 0.52 0.00 0.00 34.95 31.77 1woc s ARG 71 CO 0.42 0.10 0.17 0.96 0.02 0.00 0.00 175.30 176.97 1woc s ILE 72 N 0.84 0.02 -0.10 1.52 -4.36 -0.19 -3.42 121.20 115.51 1woc s ILE 72 Ca 0.04 -1.90 -0.00 0.00 -0.26 0.00 0.00 60.65 58.53 1woc s ILE 72 Cb -0.14 -2.39 0.02 0.00 1.25 0.00 0.00 42.46 41.21 1woc s ILE 72 CO 0.02 -0.07 -0.07 -0.89 0.24 0.00 0.00 174.94 174.18 1woc s THR 73 N -4.12 0.91 0.01 8.37 2.01 -0.86 -0.77 115.64 121.20 1woc s THR 73 Ca 0.34 -0.23 0.05 0.00 0.31 0.00 0.00 61.69 62.16 1woc s THR 73 Cb 0.06 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 1woc s THR 73 CO 0.10 0.34 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.57 1woc s VAL 74 N 1.63 3.27 -0.06 3.82 1.01 0.79 -1.74 120.40 129.11 1woc s VAL 74 Ca 0.03 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.11 1woc s VAL 74 Cb -0.13 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.86 1woc s VAL 74 CO -0.06 0.38 -0.18 -1.58 0.00 0.00 0.00 175.10 173.66 1woc s GLN 75 N -1.38 2.09 0.00 2.72 -0.44 -0.59 -0.74 119.66 121.32 1woc s GLN 75 Ca 0.16 -0.63 0.00 0.00 -2.50 0.00 0.00 55.36 52.39 1woc s GLN 75 Cb -0.11 -1.72 0.00 0.00 -1.64 0.00 0.00 33.01 29.55 1woc s GLN 75 CO 0.06 0.18 0.00 0.41 0.50 0.00 0.00 175.29 176.44 1woc n GLY 76 N 3.41 -0.91 3.65 2.59 0.00 -0.66 -0.37 105.19 112.91 1woc n GLY 76 Ca -0.20 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.85 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 2.83 0.10 1.61 -0.71 -0.88 -0.51 117.98 117.42 1woc s PHE 77 Ca 0.00 -0.14 0.02 0.00 -1.04 0.00 0.00 56.93 55.77 1woc s PHE 77 Cb 0.00 -1.38 -0.04 0.00 -1.21 0.00 0.00 43.02 40.39 1woc s PHE 77 CO 0.00 0.51 0.19 0.96 -1.34 0.00 0.00 175.22 175.54 1woc s ILE 78 N -1.67 5.06 -0.05 -4.49 -4.36 -1.26 -0.68 121.20 113.75 1woc s ILE 78 Ca 0.27 -0.64 -0.30 0.00 -0.26 0.00 0.00 60.65 59.71 1woc s ILE 78 Cb -0.09 -3.51 0.07 0.00 1.25 0.00 0.00 42.46 40.17 1woc s ILE 78 CO 0.18 0.04 0.66 -0.55 0.24 0.00 0.00 174.94 175.51 1woc s SER 79 N -2.75 -0.64 -0.01 4.36 0.15 -0.91 -4.98 113.70 108.93 1woc s SER 79 Ca 0.33 0.70 -0.08 0.00 0.70 0.00 0.00 55.95 57.60 1woc s SER 79 Cb -0.12 0.55 -0.05 0.00 -1.71 0.00 0.00 66.02 64.69 1woc s SER 79 CO 0.26 -0.59 0.28 0.00 1.20 0.00 0.00 173.24 174.39 1woc s HIS 81 N -1.22 0.71 -0.68 0.00 3.76 0.80 -4.92 115.29 113.75 1woc s HIS 81 Ca 0.25 -0.22 -0.22 0.00 -0.15 0.00 0.00 55.06 54.72 1woc s HIS 81 Cb -0.14 -0.44 0.07 0.00 1.11 0.00 0.00 32.58 33.18 1woc s HIS 81 CO 0.14 -0.02 0.98 0.15 -0.85 0.00 0.00 174.74 175.14 1woc s LYS 82 N -0.56 3.14 1.20 1.40 1.02 -1.26 0.86 119.74 125.54 1woc s LYS 82 Ca 0.00 -0.87 -0.19 0.00 0.02 0.00 0.00 55.97 54.93 1woc s LYS 82 Cb -0.05 -4.27 0.29 0.00 -0.52 0.00 0.00 37.83 33.28 1woc s LYS 82 CO 0.00 -1.82 1.10 0.00 -0.92 0.00 0.00 175.35 173.71 1woc s ALA 83 N 4.03 0.57 0.29 5.17 0.00 -0.98 -4.86 121.76 125.98 1woc s ALA 83 Ca 0.23 -0.92 0.23 0.00 0.00 0.00 0.00 51.96 51.49 1woc s ALA 83 Cb -0.16 -2.90 1.06 0.00 0.00 0.00 0.00 23.12 21.12 1woc s ALA 83 CO 0.09 -3.60 1.91 -0.22 0.00 0.00 0.00 175.76 173.94 1woc h LYS 84 N -2.58 0.00 0.00 0.00 1.63 -1.96 -0.71 116.57 112.95 1woc h LYS 84 Ca -0.45 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 1woc h LYS 84 Cb 1.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 1woc h LYS 84 CO 0.35 0.23 0.00 0.09 -3.45 0.00 0.00 179.45 176.67 1woc n ASN 85 N -3.63 0.00 0.00 4.20 4.13 -1.26 -4.86 115.26 113.84 1woc n ASN 85 Ca -0.01 -0.28 0.00 0.00 1.68 0.00 0.00 54.58 55.97 1woc n ASN 85 Cb 0.36 -0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.46 1woc n ASN 85 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1woc n GLY 86 N 0.24 1.81 3.35 7.41 0.00 -0.27 -4.98 105.19 112.75 1woc n GLY 86 Ca 0.12 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1woc n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1woc n LEU 87 N 0.00 -1.51 -4.78 0.99 4.32 -1.26 -4.40 117.00 110.36 1woc n LEU 87 Ca 0.00 -0.00 -0.39 0.00 -0.02 0.00 0.00 56.01 55.60 1woc n LEU 87 Cb 0.00 -1.07 -0.06 0.00 -1.62 0.00 0.00 43.42 40.67 1woc n LEU 87 CO 0.00 -3.22 0.27 -0.44 -1.22 0.00 0.00 177.39 172.78 1woc s SER 88 N -1.98 6.98 0.00 -1.43 0.01 -1.26 -2.33 113.70 113.68 1woc s SER 88 Ca 0.58 1.16 0.00 0.00 1.31 0.00 0.00 55.95 59.01 1woc s SER 88 Cb -0.16 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1woc s SER 88 CO 0.66 0.17 0.00 1.17 0.41 0.00 0.00 173.24 175.65 1woc n LYS 89 N 2.38 3.02 0.00 12.44 4.81 0.25 -4.91 118.16 136.14 1woc n LYS 89 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 1woc n LYS 89 Cb 0.51 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.56 1woc n LYS 89 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1woc n VAL 91 N -0.02 0.00 -3.36 3.15 0.24 -0.38 -0.14 118.33 117.82 1woc n VAL 91 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.91 1woc n VAL 91 Cb 0.00 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.28 1woc n VAL 91 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1woc s LEU 92 N 0.00 4.04 -0.49 1.34 2.96 0.86 -2.13 118.68 125.26 1woc s LEU 92 Ca 0.00 0.34 -0.19 0.00 -0.22 0.00 0.00 54.13 54.05 1woc s LEU 92 Cb 0.00 -2.47 0.05 0.00 0.50 0.00 0.00 46.19 44.27 1woc s LEU 92 CO 0.00 -0.20 0.63 -1.00 -1.32 0.00 0.00 176.35 174.46 1woc s HIS 93 N 2.09 3.05 0.37 5.38 3.76 0.15 -0.70 115.29 129.39 1woc s HIS 93 Ca 0.16 -0.42 -0.27 0.00 -0.15 0.00 0.00 55.06 54.38 1woc s HIS 93 Cb -0.16 -3.48 -0.09 0.00 1.11 0.00 0.00 32.58 29.96 1woc s HIS 93 CO 0.10 -0.99 1.27 0.00 -0.85 0.00 0.00 174.74 174.26 1woc s ALA 94 N 2.68 3.34 0.00 -1.40 0.00 -0.11 -2.08 121.76 124.19 1woc s ALA 94 Ca 0.17 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1woc s ALA 94 Cb -0.18 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1woc s ALA 94 CO 0.14 -0.67 0.00 0.39 0.00 0.00 0.00 175.76 175.62 1woc n GLU 95 N 0.43 2.27 -4.16 0.00 1.02 0.50 -4.62 120.64 116.08 1woc n GLU 95 Ca 0.02 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.01 1woc n GLU 95 Cb 0.43 -0.98 -0.13 0.00 -0.02 0.00 0.00 31.44 30.75 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 -1.96 0.61 -0.09 3.49 -0.21 -0.48 -4.98 119.66 116.03 1woc s GLN 96 Ca 0.00 -0.62 -0.06 0.00 0.02 0.00 0.00 55.36 54.70 1woc s GLN 96 Cb 0.00 -0.49 0.04 0.00 1.00 0.00 0.00 33.01 33.56 1woc s GLN 96 CO 0.00 0.11 0.22 0.42 -2.12 0.00 0.00 175.29 173.93 1woc s ILE 97 N -0.94 -0.03 -0.03 1.08 1.01 -1.26 -1.55 121.20 119.48 1woc s ILE 97 Ca -0.04 0.11 0.06 0.00 0.00 0.00 0.00 60.65 60.78 1woc s ILE 97 Cb -0.07 -0.34 -0.02 0.00 0.01 0.00 0.00 42.46 42.03 1woc s ILE 97 CO 0.01 0.04 -0.21 -1.61 0.00 0.00 0.00 174.94 173.17 1woc s GLU 98 N 0.92 2.29 0.00 2.79 2.02 -0.71 -5.00 118.70 121.02 1woc s GLU 98 Ca -0.07 -0.83 0.27 0.00 0.02 0.00 0.00 54.97 54.37 1woc s GLU 98 Cb -0.08 -2.19 1.25 0.00 0.10 0.00 0.00 34.13 33.21 1woc s GLU 98 CO -0.06 0.58 1.84 1.28 0.02 0.00 0.00 175.26 178.93 1woc n LEU 99 N 2.39 0.95 0.00 1.80 7.99 -1.26 -2.02 117.00 126.85 1woc n LEU 99 Ca -0.17 -0.34 0.00 0.00 -0.01 0.00 0.00 56.01 55.49 1woc n LEU 99 Cb 0.52 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.81 1woc n LEU 99 CO 0.24 0.17 0.19 2.30 -1.51 0.00 0.00 177.39 178.78