#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnh s THR 2 N 0.00 3.09 -0.29 3.17 2.01 -1.26 -5.00 115.64 117.36 2pnh s THR 2 Ca 0.00 0.89 0.03 0.00 0.31 0.00 0.00 61.69 62.92 2pnh s THR 2 Cb 0.00 -3.57 0.18 0.00 0.01 0.00 0.00 72.50 69.12 2pnh s THR 2 CO 0.00 0.13 0.53 0.21 -0.69 0.00 0.00 174.62 174.80 2pnh s ASN 3 N 0.39 -0.92 -0.22 3.53 3.04 -1.26 -5.14 114.94 114.36 2pnh s ASN 3 Ca 0.58 0.14 -0.05 0.00 0.04 0.00 0.00 52.86 53.57 2pnh s ASN 3 Cb -0.38 1.74 0.11 0.00 -1.54 0.00 0.00 41.25 41.19 2pnh s ASN 3 CO 0.39 -0.31 0.40 -0.60 -3.04 0.00 0.00 177.10 173.94 2pnh s ARG 4 N 2.74 0.33 -0.20 0.43 3.52 -1.26 -4.44 118.95 120.08 2pnh s ARG 4 Ca 0.12 0.81 -0.04 0.00 -0.13 0.00 0.00 55.73 56.48 2pnh s ARG 4 Cb -0.12 -0.03 -0.02 0.00 -1.56 0.00 0.00 34.95 33.23 2pnh s ARG 4 CO -0.26 -0.44 -0.04 -1.17 -0.81 0.00 0.00 175.30 172.59 2pnh s LEU 5 N 2.59 3.02 -0.24 -0.88 2.96 0.12 -4.98 118.68 121.27 2pnh s LEU 5 Ca 0.05 -0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 53.59 2pnh s LEU 5 Cb -0.14 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 2pnh s LEU 5 CO -0.14 0.04 0.05 -0.69 -1.32 0.00 0.00 176.35 174.28 2pnh s VAL 6 N 1.14 4.14 -0.06 1.68 1.01 -1.26 -1.88 120.40 125.18 2pnh s VAL 6 Ca 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 2pnh s VAL 6 Cb -0.15 -2.92 0.04 0.00 0.00 0.00 0.00 36.38 33.35 2pnh s VAL 6 CO -0.00 0.36 0.11 -0.22 0.00 0.00 0.00 175.10 175.35 2pnh s LEU 7 N 1.50 0.42 0.18 3.92 2.96 -0.56 -4.99 118.68 122.11 2pnh s LEU 7 Ca 0.06 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.19 2pnh s LEU 7 Cb -0.15 0.15 -0.04 0.00 0.50 0.00 0.00 46.19 46.65 2pnh s LEU 7 CO 0.02 -0.20 0.35 -0.44 -1.32 0.00 0.00 176.35 174.76 2pnh s SER 8 N 1.71 6.37 -0.00 3.68 0.01 -1.26 -1.30 113.70 122.90 2pnh s SER 8 Ca -0.02 0.31 -0.01 0.00 1.31 0.00 0.00 55.95 57.53 2pnh s SER 8 Cb -0.12 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.14 2pnh s SER 8 CO -0.05 -0.00 0.06 0.61 0.41 0.00 0.00 173.24 174.27 2pnh n GLY 9 N -0.60 0.45 3.54 3.44 0.00 -0.50 -4.39 105.19 107.13 2pnh n GLY 9 Ca -0.06 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 2pnh n GLY 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pnh s THR 10 N -2.05 4.03 -0.06 2.61 2.01 -0.14 -1.63 115.64 120.40 2pnh s THR 10 Ca 0.01 -0.31 -0.30 0.00 0.31 0.00 0.00 61.69 61.40 2pnh s THR 10 Cb -0.00 -2.76 -0.06 0.00 0.01 0.00 0.00 72.50 69.69 2pnh s THR 10 CO -0.00 0.50 1.79 -0.69 -0.69 0.00 0.00 174.62 175.54 2pnh s VAL 11 N 0.19 3.38 -0.76 3.82 1.01 -0.24 -0.89 120.40 126.91 2pnh s VAL 11 Ca -0.01 0.45 0.21 0.00 0.00 0.00 0.00 61.98 62.63 2pnh s VAL 11 Cb -0.14 -3.32 -0.25 0.00 0.00 0.00 0.00 36.38 32.67 2pnh s VAL 11 CO 0.02 -0.07 0.79 0.00 0.00 0.00 0.00 175.10 175.85 2pnh s ARG 13 N -3.11 0.08 0.53 0.00 0.52 -1.22 -4.98 118.95 110.78 2pnh s ARG 13 Ca 0.04 0.18 -0.21 0.00 -0.52 0.00 0.00 55.73 55.23 2pnh s ARG 13 Cb 0.15 -0.40 -0.05 0.00 0.52 0.00 0.00 34.95 35.17 2pnh s ARG 13 CO 0.87 -0.19 1.24 0.00 0.02 0.00 0.00 175.30 177.24 2pnh s ALA 14 N 1.29 2.78 0.00 2.13 0.00 -1.26 -2.73 121.76 123.96 2pnh s ALA 14 Ca -0.06 1.08 -0.34 0.00 0.00 0.00 0.00 51.96 52.63 2pnh s ALA 14 Cb -0.13 -3.46 -0.13 0.00 0.00 0.00 0.00 23.12 19.41 2pnh s ALA 14 CO -0.03 -1.04 1.77 -2.30 0.00 0.00 0.00 175.76 174.16 2pnh n PRO 15 N -1.03 2.16 -3.40 0.00 -0.02 -1.25 -4.71 135.00 126.75 2pnh n PRO 15 Ca 0.10 0.79 -0.39 0.00 -2.02 0.00 0.00 63.50 61.99 2pnh n PRO 15 Cb 0.48 -2.61 -0.08 0.00 -0.02 0.00 0.00 33.50 31.27 2pnh n PRO 15 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2pnh s LEU 16 N 2.94 4.09 -0.03 2.45 2.96 0.21 -4.89 118.68 126.41 2pnh s LEU 16 Ca 0.88 0.39 -0.00 0.00 -0.22 0.00 0.00 54.13 55.18 2pnh s LEU 16 Cb -0.69 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 43.51 2pnh s LEU 16 CO 0.47 -0.13 0.01 -0.13 -1.32 0.00 0.00 176.35 175.25 2pnh s ARG 17 N 1.70 2.90 0.10 1.98 0.52 -1.26 -1.75 118.95 123.14 2pnh s ARG 17 Ca 0.17 -0.52 -0.11 0.00 -0.52 0.00 0.00 55.73 54.75 2pnh s ARG 17 Cb -0.15 -2.74 0.01 0.00 0.52 0.00 0.00 34.95 32.58 2pnh s ARG 17 CO 0.09 0.66 0.26 -1.59 0.02 0.00 0.00 175.30 174.74 2pnh s LYS 18 N -1.34 0.93 -0.03 3.54 -2.85 -0.79 -5.05 119.74 114.16 2pnh s LYS 18 Ca 0.18 -0.89 0.07 0.00 -1.00 0.00 0.00 55.97 54.33 2pnh s LYS 18 Cb -0.12 0.38 -0.02 0.00 -2.06 0.00 0.00 37.83 36.02 2pnh s LYS 18 CO 0.08 -0.32 -0.26 0.08 0.10 0.00 0.00 175.35 175.03 2pnh s VAL 19 N -3.85 2.05 0.64 1.79 1.01 -1.26 -0.48 120.40 120.30 2pnh s VAL 19 Ca 0.05 -1.09 -0.16 0.00 0.00 0.00 0.00 61.98 60.77 2pnh s VAL 19 Cb 0.04 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 2pnh s VAL 19 CO -0.11 0.58 1.14 -0.94 0.00 0.00 0.00 175.10 175.77 2pnh s SER 20 N -0.43 5.09 0.44 3.32 1.04 0.15 -4.89 113.70 118.42 2pnh s SER 20 Ca 0.05 2.13 0.24 0.00 0.48 0.00 0.00 55.95 58.85 2pnh s SER 20 Cb -0.11 -2.57 1.26 0.00 0.10 0.00 0.00 66.02 64.69 2pnh s SER 20 CO 0.01 -1.65 1.78 -0.65 0.98 0.00 0.00 173.24 173.71 2pnh h PRO 21 N 0.31 0.25 -0.00 4.02 0.11 -2.01 -0.00 132.00 134.67 2pnh h PRO 21 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2pnh h PRO 21 Cb 1.26 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2pnh h PRO 21 CO 0.54 0.16 -0.00 -1.13 -0.21 0.00 0.00 178.00 177.36 2pnh n SER 22 N -4.50 0.21 0.00 -2.05 3.41 -1.26 -4.89 113.62 104.54 2pnh n SER 22 Ca 0.26 -1.01 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 2pnh n SER 22 Cb 1.01 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.94 2pnh n SER 22 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pnh n GLY 23 N 1.05 1.01 3.61 5.00 0.00 -0.01 -5.07 105.19 110.77 2pnh n GLY 23 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2pnh n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pnh s ILE 24 N -2.00 4.91 0.18 -0.61 1.01 -1.25 -4.79 121.20 118.65 2pnh s ILE 24 Ca 0.00 1.05 -0.30 0.00 0.00 0.00 0.00 60.65 61.40 2pnh s ILE 24 Cb 0.00 -4.02 -0.08 0.00 0.01 0.00 0.00 42.46 38.37 2pnh s ILE 24 CO 0.00 -0.11 1.09 -2.16 0.00 0.00 0.00 174.94 173.76 2pnh s PRO 25 N 2.67 4.60 -0.04 2.79 0.04 -1.26 0.33 135.00 144.13 2pnh s PRO 25 Ca 0.28 1.71 0.04 0.00 0.04 0.00 0.00 61.00 63.06 2pnh s PRO 25 Cb -0.15 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2pnh s PRO 25 CO 0.11 0.09 -0.15 -1.01 0.04 0.00 0.00 177.00 176.07 2pnh s HIS 26 N -0.25 1.52 -0.09 0.56 3.76 0.36 -1.58 115.29 119.57 2pnh s HIS 26 Ca 0.49 -0.44 0.03 0.00 -0.15 0.00 0.00 55.06 54.98 2pnh s HIS 26 Cb -0.29 -1.04 0.01 0.00 1.11 0.00 0.00 32.58 32.37 2pnh s HIS 26 CO 0.35 -0.17 -0.16 0.00 -0.85 0.00 0.00 174.74 173.91 2pnh s GLN 28 N 0.66 2.22 0.33 0.00 -0.21 -0.72 0.56 119.66 122.51 2pnh s GLN 28 Ca -0.14 -0.59 -0.01 0.00 0.02 0.00 0.00 55.36 54.65 2pnh s GLN 28 Cb -0.16 -1.76 -0.01 0.00 1.00 0.00 0.00 33.01 32.08 2pnh s GLN 28 CO 0.04 0.07 0.42 -0.59 -2.12 0.00 0.00 175.29 173.12 2pnh s PHE 29 N 0.58 1.19 -0.09 0.91 -0.12 -0.95 0.67 117.98 120.17 2pnh s PHE 29 Ca -0.16 -1.36 0.03 0.00 -0.05 0.00 0.00 56.93 55.40 2pnh s PHE 29 Cb -0.17 -0.22 0.01 0.00 -0.63 0.00 0.00 43.02 42.01 2pnh s PHE 29 CO 0.05 -1.07 -0.20 0.08 -0.05 0.00 0.00 175.22 174.04 2pnh s VAL 30 N -3.18 1.71 -0.21 -2.49 1.01 -1.11 -0.68 120.40 115.46 2pnh s VAL 30 Ca 0.33 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 2pnh s VAL 30 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 2pnh s VAL 30 CO 0.21 0.48 -0.00 -0.22 0.00 0.00 0.00 175.10 175.58 2pnh s LEU 31 N 0.48 3.21 -0.36 3.92 2.96 0.12 -1.11 118.68 127.90 2pnh s LEU 31 Ca -0.17 -0.24 -0.14 0.00 -0.22 0.00 0.00 54.13 53.37 2pnh s LEU 31 Cb -0.17 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 2pnh s LEU 31 CO 0.07 0.04 0.27 -0.70 -1.32 0.00 0.00 176.35 174.71 2pnh s GLU 32 N 1.14 3.34 -0.14 1.98 2.12 -0.07 0.21 118.70 127.29 2pnh s GLU 32 Ca 0.03 -0.74 -0.13 0.00 0.36 0.00 0.00 54.97 54.48 2pnh s GLU 32 Cb -0.14 -3.86 -0.05 0.00 0.26 0.00 0.00 34.13 30.34 2pnh s GLU 32 CO 0.01 -0.55 0.30 -1.58 -0.54 0.00 0.00 175.26 172.91 2pnh s HIS 33 N 1.74 3.50 -0.04 5.30 5.65 0.92 -0.97 115.29 131.39 2pnh s HIS 33 Ca 0.06 0.64 -0.01 0.00 0.25 0.00 0.00 55.06 56.00 2pnh s HIS 33 Cb -0.18 -2.31 0.03 0.00 -1.18 0.00 0.00 32.58 28.94 2pnh s HIS 33 CO 0.11 0.32 0.08 -0.98 -0.65 0.00 0.00 174.74 173.62 2pnh s ARG 34 N 0.17 0.03 0.35 2.88 1.70 -1.26 -1.18 118.95 121.65 2pnh s ARG 34 Ca 0.17 0.25 -0.16 0.00 -0.47 0.00 0.00 55.73 55.52 2pnh s ARG 34 Cb -0.13 -0.18 0.04 0.00 -0.57 0.00 0.00 34.95 34.10 2pnh s ARG 34 CO 0.05 -0.15 0.74 -1.54 -1.08 0.00 0.00 175.30 173.32 2pnh s SER 35 N 0.97 0.02 -0.22 -2.89 1.04 -0.57 -5.00 113.70 107.05 2pnh s SER 35 Ca -0.08 -1.05 -0.06 0.00 0.48 0.00 0.00 55.95 55.24 2pnh s SER 35 Cb -0.11 0.80 -0.03 0.00 0.10 0.00 0.00 66.02 66.79 2pnh s SER 35 CO -0.04 -1.57 0.03 0.54 0.98 0.00 0.00 173.24 173.19 2pnh s VAL 36 N -2.77 4.14 0.33 5.02 0.11 -1.26 -1.06 120.40 124.91 2pnh s VAL 36 Ca 0.16 -0.24 0.09 0.00 -2.93 0.00 0.00 61.98 59.06 2pnh s VAL 36 Cb -0.05 -2.90 -0.05 0.00 -1.53 0.00 0.00 36.38 31.85 2pnh s VAL 36 CO 0.11 0.39 0.04 -1.10 -3.33 0.00 0.00 175.10 171.22 2pnh s GLN 37 N 1.25 2.18 -0.12 1.54 -1.52 0.08 -4.92 119.66 118.14 2pnh s GLN 37 Ca 0.04 -1.66 -0.00 0.00 -1.95 0.00 0.00 55.36 51.79 2pnh s GLN 37 Cb -0.15 -2.02 -0.02 0.00 -0.22 0.00 0.00 33.01 30.61 2pnh s GLN 37 CO 0.02 0.15 -0.12 -2.00 -0.25 0.00 0.00 175.29 173.10 2pnh s GLU 38 N -3.75 3.28 -0.16 2.91 2.12 -1.26 -1.53 118.70 120.31 2pnh s GLU 38 Ca 0.35 -0.66 -0.13 0.00 0.36 0.00 0.00 54.97 54.90 2pnh s GLU 38 Cb -0.01 -2.63 0.05 0.00 0.26 0.00 0.00 34.13 31.79 2pnh s GLU 38 CO 0.20 0.29 0.41 0.00 -0.54 0.00 0.00 175.26 175.63 2pnh s ALA 39 N 0.15 -1.03 -0.82 6.30 0.00 -1.18 -4.93 121.76 120.26 2pnh s ALA 39 Ca -0.06 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2pnh s ALA 39 Cb -0.15 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.21 2pnh s ALA 39 CO 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 175.76 175.59 2pnh n ALA 40 N 3.34 -0.25 -0.60 0.00 0.00 -1.26 -1.57 120.51 120.17 2pnh n ALA 40 Ca -0.17 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2pnh n ALA 40 Cb 0.56 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.03 2pnh n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pnh n GLY 41 N -0.24 0.66 2.99 0.00 0.00 -1.26 -5.07 105.19 102.26 2pnh n GLY 41 Ca -0.08 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 2pnh n GLY 41 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pnh s PHE 42 N -2.00 0.60 0.26 1.61 -0.12 -0.61 -5.14 117.98 112.57 2pnh s PHE 42 Ca 0.00 -0.16 -0.30 0.00 -0.05 0.00 0.00 56.93 56.43 2pnh s PHE 42 Cb 0.00 -0.38 -0.09 0.00 -0.63 0.00 0.00 43.02 41.92 2pnh s PHE 42 CO 0.00 -0.02 1.12 -1.01 -0.05 0.00 0.00 175.22 175.26 2pnh s HIS 43 N -0.31 3.55 -0.08 3.49 3.76 -1.26 -3.10 115.29 121.34 2pnh s HIS 43 Ca 0.01 1.65 -0.07 0.00 -0.15 0.00 0.00 55.06 56.50 2pnh s HIS 43 Cb -0.03 -3.31 0.02 0.00 1.11 0.00 0.00 32.58 30.37 2pnh s HIS 43 CO -0.00 -0.66 0.21 -0.98 -0.85 0.00 0.00 174.74 172.45 2pnh s ARG 44 N -1.24 0.24 0.21 1.40 1.70 -0.58 -4.97 118.95 115.70 2pnh s ARG 44 Ca 0.46 0.29 -0.32 0.00 -0.47 0.00 0.00 55.73 55.69 2pnh s ARG 44 Cb -0.32 0.11 -0.11 0.00 -0.57 0.00 0.00 34.95 34.06 2pnh s ARG 44 CO 0.40 -0.03 1.68 -1.14 -1.08 0.00 0.00 175.30 175.13 2pnh s GLN 45 N 0.13 4.15 -0.18 3.89 0.74 -1.26 -0.74 119.66 126.38 2pnh s GLN 45 Ca -0.00 2.55 -0.03 0.00 0.05 0.00 0.00 55.36 57.93 2pnh s GLN 45 Cb -0.02 -3.09 -0.01 0.00 1.10 0.00 0.00 33.01 30.99 2pnh s GLN 45 CO 0.00 -0.71 -0.06 0.00 -0.55 0.00 0.00 175.29 173.97 2pnh s ALA 46 N 1.06 2.80 -0.03 1.58 0.00 -0.23 -4.89 121.76 122.06 2pnh s ALA 46 Ca 0.73 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.69 2pnh s ALA 46 Cb -0.48 -1.54 0.01 0.00 0.00 0.00 0.00 23.12 21.11 2pnh s ALA 46 CO 0.33 -0.11 -0.07 -0.46 0.00 0.00 0.00 175.76 175.46 2pnh s TRP 47 N 0.93 0.82 -0.03 0.00 -0.00 -1.26 -1.51 118.94 117.89 2pnh s TRP 47 Ca -0.01 -0.21 -0.27 0.00 -0.00 0.00 0.00 56.10 55.61 2pnh s TRP 47 Cb -0.15 -0.63 0.06 0.00 -0.00 0.00 0.00 33.47 32.75 2pnh s TRP 47 CO 0.01 -0.12 0.58 0.00 -0.00 0.00 0.00 176.95 177.42 2pnh s GLN 49 N -1.41 2.79 -0.30 0.00 -0.21 -1.26 -0.05 119.66 119.22 2pnh s GLN 49 Ca -0.11 -1.13 -0.10 0.00 0.02 0.00 0.00 55.36 54.04 2pnh s GLN 49 Cb -0.01 -3.74 -0.03 0.00 1.00 0.00 0.00 33.01 30.23 2pnh s GLN 49 CO 0.07 -0.74 0.17 -1.64 -2.12 0.00 0.00 175.29 171.03 2pnh s MET 50 N 1.54 3.64 0.19 2.91 -1.94 0.13 -4.92 119.30 120.86 2pnh s MET 50 Ca 0.02 -0.52 -0.31 0.00 -1.71 0.00 0.00 55.69 53.17 2pnh s MET 50 Cb -0.20 -3.61 -0.10 0.00 2.01 0.00 0.00 34.83 32.94 2pnh s MET 50 CO 0.06 -0.30 1.47 -2.14 -0.01 0.00 0.00 175.02 174.10 2pnh s PRO 51 N 1.69 4.26 -0.01 2.03 0.02 -1.26 0.16 135.00 141.89 2pnh s PRO 51 Ca 0.06 2.27 0.05 0.00 0.02 0.00 0.00 61.00 63.40 2pnh s PRO 51 Cb -0.16 -3.15 -0.03 0.00 0.02 0.00 0.00 34.50 31.17 2pnh s PRO 51 CO 0.08 -0.48 -0.14 0.08 -0.33 0.00 0.00 177.00 176.21 2pnh s VAL 52 N 0.62 3.09 -0.12 3.83 1.01 0.14 -0.01 120.40 128.97 2pnh s VAL 52 Ca 0.64 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.76 2pnh s VAL 52 Cb -0.41 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 33.71 2pnh s VAL 52 CO 0.36 0.47 -0.17 -0.51 0.00 0.00 0.00 175.10 175.26 2pnh s ILE 53 N -0.85 1.64 -0.35 2.22 2.07 -0.21 -2.23 121.20 123.50 2pnh s ILE 53 Ca 0.14 -0.73 -0.08 0.00 -1.41 0.00 0.00 60.65 58.57 2pnh s ILE 53 Cb -0.11 -1.48 0.03 0.00 0.13 0.00 0.00 42.46 41.03 2pnh s ILE 53 CO 0.03 0.47 0.14 -0.69 -1.91 0.00 0.00 174.94 172.98 2pnh s VAL 54 N 0.94 4.09 0.07 4.00 1.01 0.19 -1.51 120.40 129.19 2pnh s VAL 54 Ca -0.07 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.00 2pnh s VAL 54 Cb -0.15 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2pnh s VAL 54 CO -0.02 -0.17 -0.13 -0.44 0.00 0.00 0.00 175.10 174.35 2pnh s SER 55 N 1.47 4.22 0.00 3.32 0.01 -1.26 0.30 113.70 121.76 2pnh s SER 55 Ca 0.00 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.88 2pnh s SER 55 Cb -0.19 -0.78 0.00 0.00 0.21 0.00 0.00 66.02 65.26 2pnh s SER 55 CO 0.04 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.52 2pnh n GLY 56 N 1.06 -0.74 0.19 3.44 0.00 -0.62 -4.66 105.19 103.87 2pnh n GLY 56 Ca -0.15 -1.65 0.06 0.00 0.00 0.00 0.00 46.02 44.28 2pnh n GLY 56 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2pnh h HIS 57 N 0.00 0.00 -0.30 1.61 3.86 -1.95 -3.35 115.15 115.02 2pnh h HIS 57 Ca 0.00 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.27 2pnh h HIS 57 Cb 0.00 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.41 2pnh h HIS 57 CO 0.00 0.37 -0.10 1.05 0.86 0.00 0.00 177.93 180.11 2pnh h GLU 58 N 0.00 -0.04 -0.40 2.45 -0.00 -1.98 -3.22 114.58 111.39 2pnh h GLU 58 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2pnh h GLU 58 Cb 0.89 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.65 2pnh h GLU 58 CO 0.05 -0.03 0.00 0.09 -0.00 0.00 0.00 179.01 179.12 2pnh n ASN 59 N -5.28 3.20 -0.03 3.06 3.02 -1.25 -4.65 115.26 113.31 2pnh n ASN 59 Ca 0.00 -1.92 -0.06 0.00 -0.03 0.00 0.00 54.58 52.57 2pnh n ASN 59 Cb 0.20 -0.26 0.14 0.00 -0.61 0.00 0.00 39.78 39.24 2pnh n ASN 59 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2pnh h GLN 60 N 3.38 0.62 -0.41 3.52 1.08 -1.71 -3.33 115.11 118.26 2pnh h GLN 60 Ca 0.00 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 56.93 2pnh h GLN 60 Cb 0.84 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.22 2pnh h GLN 60 CO 0.00 0.83 0.21 0.00 -0.95 0.00 0.00 178.83 178.91 2pnh h ALA 61 N 1.17 0.53 0.00 3.87 0.00 -1.83 -2.61 119.26 120.39 2pnh h ALA 61 Ca 0.07 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2pnh h ALA 61 Cb 0.74 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2pnh h ALA 61 CO 0.06 0.07 -0.23 0.97 0.00 0.00 0.00 179.25 180.12 2pnh h ILE 62 N 0.52 0.91 -0.33 0.00 2.10 -1.93 -2.41 117.51 116.38 2pnh h ILE 62 Ca 0.14 -0.88 0.09 0.00 1.08 0.00 0.00 64.86 65.30 2pnh h ILE 62 Cb 0.09 1.51 -0.01 0.00 -1.09 0.00 0.00 36.82 37.32 2pnh h ILE 62 CO -0.02 0.23 0.31 0.74 -1.08 0.00 0.00 178.15 178.33 2pnh h THR 63 N 0.00 0.53 -0.00 2.19 2.02 -1.59 -0.80 112.91 115.26 2pnh h THR 63 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2pnh h THR 63 Cb 0.49 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2pnh h THR 63 CO 0.03 0.00 -0.04 1.41 0.37 0.00 0.00 175.52 177.29 2pnh n HIS 64 N -3.95 0.00 0.26 3.16 8.25 -0.91 -2.21 115.22 119.82 2pnh n HIS 64 Ca 0.05 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.63 2pnh n HIS 64 Cb 0.47 -0.17 0.02 0.00 1.12 0.00 0.00 29.99 31.43 2pnh n HIS 64 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2pnh n SER 65 N -1.04 0.70 -4.67 0.41 7.64 -0.31 -4.90 113.62 111.45 2pnh n SER 65 Ca 0.17 0.16 -0.42 0.00 1.01 0.00 0.00 58.87 59.79 2pnh n SER 65 Cb 0.23 0.61 -0.03 0.00 -1.01 0.00 0.00 64.21 64.01 2pnh n SER 65 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2pnh s ILE 66 N -3.32 4.77 0.22 0.44 1.01 -0.94 -4.97 121.20 118.41 2pnh s ILE 66 Ca 0.01 1.95 0.00 0.00 0.00 0.00 0.00 60.65 62.61 2pnh s ILE 66 Cb 0.11 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 2pnh s ILE 66 CO 0.79 -0.05 0.15 0.42 0.00 0.00 0.00 174.94 176.25 2pnh s THR 67 N 2.45 0.01 -0.04 2.92 -4.23 -1.26 -4.65 115.64 110.83 2pnh s THR 67 Ca 0.45 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.66 2pnh s THR 67 Cb -0.17 -2.50 -0.07 0.00 1.34 0.00 0.00 72.50 71.10 2pnh s THR 67 CO 0.13 0.00 1.83 -0.69 -0.54 0.00 0.00 174.62 175.35 2pnh s VAL 68 N -4.04 3.31 0.00 2.29 1.01 -1.26 -1.49 120.40 120.22 2pnh s VAL 68 Ca 0.39 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.74 2pnh s VAL 68 Cb 0.06 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2pnh s VAL 68 CO 0.15 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.80 2pnh n GLY 69 N 4.49 2.27 3.73 4.51 0.00 -0.93 -5.01 105.19 114.25 2pnh n GLY 69 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2pnh n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pnh s SER 70 N -1.85 6.53 -0.23 1.61 0.01 -0.55 -4.76 113.70 114.46 2pnh s SER 70 Ca 0.00 2.72 -0.12 0.00 1.31 0.00 0.00 55.95 59.86 2pnh s SER 70 Cb 0.00 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 2pnh s SER 70 CO 0.00 -0.84 0.24 -0.13 0.41 0.00 0.00 173.24 172.92 2pnh s ARG 71 N 0.58 4.10 0.13 12.44 0.52 -1.26 -1.08 118.95 134.38 2pnh s ARG 71 Ca 0.68 -0.12 -0.03 0.00 -0.52 0.00 0.00 55.73 55.74 2pnh s ARG 71 Cb -0.45 -3.54 -0.03 0.00 0.52 0.00 0.00 34.95 31.45 2pnh s ARG 71 CO 0.36 0.02 0.11 0.96 0.02 0.00 0.00 175.30 176.77 2pnh s ILE 72 N 1.17 0.11 -0.06 1.52 -4.36 -0.65 -2.08 121.20 116.85 2pnh s ILE 72 Ca 0.11 -1.74 0.04 0.00 -0.26 0.00 0.00 60.65 58.81 2pnh s ILE 72 Cb -0.14 -1.90 0.00 0.00 1.25 0.00 0.00 42.46 41.67 2pnh s ILE 72 CO 0.06 -0.49 -0.18 -0.89 0.24 0.00 0.00 174.94 173.67 2pnh s THR 73 N -4.01 1.58 -0.08 8.37 2.01 -0.64 -1.40 115.64 121.47 2pnh s THR 73 Ca 0.20 -0.77 0.05 0.00 0.31 0.00 0.00 61.69 61.47 2pnh s THR 73 Cb 0.06 -1.37 -0.01 0.00 0.01 0.00 0.00 72.50 71.19 2pnh s THR 73 CO -0.01 0.45 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.46 2pnh s VAL 74 N 0.24 2.29 -0.10 3.82 1.01 -0.42 -0.82 120.40 126.42 2pnh s VAL 74 Ca -0.10 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 60.95 2pnh s VAL 74 Cb -0.14 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.37 2pnh s VAL 74 CO 0.04 0.56 -0.22 -1.58 0.00 0.00 0.00 175.10 173.91 2pnh s GLN 75 N -0.04 2.87 0.00 2.72 0.74 0.14 -1.49 119.66 124.60 2pnh s GLN 75 Ca -0.07 -0.81 0.00 0.00 0.05 0.00 0.00 55.36 54.53 2pnh s GLN 75 Cb -0.15 -2.20 0.00 0.00 1.10 0.00 0.00 33.01 31.76 2pnh s GLN 75 CO 0.05 0.13 0.00 0.41 -0.55 0.00 0.00 175.29 175.33 2pnh n GLY 76 N 3.64 -0.74 3.74 2.59 0.00 -0.79 0.33 105.19 113.96 2pnh n GLY 76 Ca -0.20 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 2pnh n GLY 76 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pnh s PHE 77 N -3.00 3.11 0.22 1.61 -0.12 -0.95 0.13 117.98 119.00 2pnh s PHE 77 Ca 0.00 0.04 -0.07 0.00 -0.05 0.00 0.00 56.93 56.85 2pnh s PHE 77 Cb 0.00 -1.59 -0.06 0.00 -0.63 0.00 0.00 43.02 40.74 2pnh s PHE 77 CO 0.00 0.51 0.50 0.96 -0.05 0.00 0.00 175.22 177.14 2pnh s ILE 78 N -1.37 5.02 -0.16 -4.49 -4.36 -1.26 -0.73 121.20 113.85 2pnh s ILE 78 Ca 0.28 0.23 -0.09 0.00 -0.26 0.00 0.00 60.65 60.81 2pnh s ILE 78 Cb -0.12 -3.65 0.06 0.00 1.25 0.00 0.00 42.46 39.99 2pnh s ILE 78 CO 0.21 -0.12 0.40 -0.55 0.24 0.00 0.00 174.94 175.12 2pnh s SER 79 N -2.62 -0.49 0.03 4.36 0.15 -0.59 -4.97 113.70 109.56 2pnh s SER 79 Ca 0.45 0.86 0.08 0.00 0.70 0.00 0.00 55.95 58.03 2pnh s SER 79 Cb -0.11 0.75 -0.03 0.00 -1.71 0.00 0.00 66.02 64.92 2pnh s SER 79 CO 0.25 -0.19 -0.21 0.00 1.20 0.00 0.00 173.24 174.29 2pnh s HIS 81 N -0.84 1.59 0.36 0.00 3.76 -0.80 -4.94 115.29 114.42 2pnh s HIS 81 Ca 0.13 -0.81 0.05 0.00 -0.15 0.00 0.00 55.06 54.28 2pnh s HIS 81 Cb -0.10 -0.88 -0.07 0.00 1.11 0.00 0.00 32.58 32.64 2pnh s HIS 81 CO 0.03 0.09 0.04 0.21 -0.85 0.00 0.00 174.74 174.26 2pnh s LYS 82 N -3.79 1.79 -0.86 1.40 2.20 -1.26 -0.52 119.74 118.70 2pnh s LYS 82 Ca 0.25 -2.01 -0.04 0.00 -0.36 0.00 0.00 55.97 53.81 2pnh s LYS 82 Cb 0.04 -1.16 -0.00 0.00 -1.51 0.00 0.00 37.83 35.20 2pnh s LYS 82 CO 0.07 -0.15 0.68 1.28 -0.36 0.00 0.00 175.35 176.87 2pnh n LEU 87 N -0.81 -4.02 -4.87 5.43 4.77 -1.26 -4.89 117.00 111.35 2pnh n LEU 87 Ca -0.04 -0.63 -0.36 0.00 -0.03 0.00 0.00 56.01 54.96 2pnh n LEU 87 Cb 0.67 -2.45 -0.06 0.00 -2.33 0.00 0.00 43.42 39.25 2pnh n LEU 87 CO 0.44 -0.19 -0.01 -0.94 -1.33 0.00 0.00 177.39 175.36 2pnh s SER 88 N -3.09 6.58 -0.02 -1.43 1.04 -1.26 -5.10 113.70 110.42 2pnh s SER 88 Ca 0.10 0.69 0.02 0.00 0.48 0.00 0.00 55.95 57.24 2pnh s SER 88 Cb -0.04 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.95 2pnh s SER 88 CO 0.83 0.28 -0.08 -1.59 0.98 0.00 0.00 173.24 173.67 2pnh s LYS 89 N -1.49 0.79 -0.07 4.02 0.00 0.32 -4.96 119.74 118.35 2pnh s LYS 89 Ca 0.25 -0.26 -0.10 0.00 0.00 0.00 0.00 55.97 55.87 2pnh s LYS 89 Cb -0.14 -0.76 -0.05 0.00 0.00 0.00 0.00 37.83 36.89 2pnh s LYS 89 CO 0.14 0.10 0.25 1.41 0.00 0.00 0.00 175.35 177.25 2pnh s MET 90 N 0.16 3.64 0.01 1.78 -2.45 -1.26 -1.91 119.30 119.27 2pnh s MET 90 Ca -0.02 0.09 0.05 0.00 -1.25 0.00 0.00 55.69 54.56 2pnh s MET 90 Cb -0.07 -3.20 -0.02 0.00 1.25 0.00 0.00 34.83 32.79 2pnh s MET 90 CO 0.00 0.74 -0.16 0.08 1.05 0.00 0.00 175.02 176.73 2pnh s VAL 91 N -1.03 1.25 -0.37 10.11 1.01 0.36 -4.33 120.40 127.40 2pnh s VAL 91 Ca 0.18 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 61.16 2pnh s VAL 91 Cb -0.14 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.17 2pnh s VAL 91 CO 0.08 0.23 0.42 -0.22 0.00 0.00 0.00 175.10 175.60 2pnh s LEU 92 N -0.71 4.56 -0.45 3.92 2.96 0.99 -1.55 118.68 128.40 2pnh s LEU 92 Ca 0.05 -0.34 -0.25 0.00 -0.22 0.00 0.00 54.13 53.37 2pnh s LEU 92 Cb -0.07 -2.40 0.03 0.00 0.50 0.00 0.00 46.19 44.24 2pnh s LEU 92 CO 0.00 -0.44 0.91 -1.00 -1.32 0.00 0.00 176.35 174.50 2pnh s HIS 93 N 2.13 2.95 0.13 5.38 3.76 0.10 -1.05 115.29 128.69 2pnh s HIS 93 Ca 0.13 0.41 -0.31 0.00 -0.15 0.00 0.00 55.06 55.15 2pnh s HIS 93 Cb -0.16 -3.89 -0.07 0.00 1.11 0.00 0.00 32.58 29.56 2pnh s HIS 93 CO 0.13 -1.05 1.29 0.00 -0.85 0.00 0.00 174.74 174.25 2pnh s ALA 94 N 3.66 3.50 -0.04 -1.40 0.00 -0.57 -2.23 121.76 124.68 2pnh s ALA 94 Ca 0.36 1.01 0.05 0.00 0.00 0.00 0.00 51.96 53.39 2pnh s ALA 94 Cb -0.11 -3.48 -0.07 0.00 0.00 0.00 0.00 23.12 19.46 2pnh s ALA 94 CO 0.25 -0.51 0.04 0.39 0.00 0.00 0.00 175.76 175.94 2pnh n GLU 95 N 3.41 2.50 -3.85 0.00 1.02 0.15 -4.72 120.64 119.15 2pnh n GLU 95 Ca 0.08 -0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.09 2pnh n GLU 95 Cb 0.44 -1.14 -0.14 0.00 -0.02 0.00 0.00 31.44 30.57 2pnh n GLU 95 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2pnh s GLN 96 N -2.19 -0.01 -0.10 3.49 -0.21 -0.40 -5.00 119.66 115.25 2pnh s GLN 96 Ca -0.03 0.03 0.02 0.00 0.02 0.00 0.00 55.36 55.40 2pnh s GLN 96 Cb 0.02 -0.04 0.01 0.00 1.00 0.00 0.00 33.01 34.01 2pnh s GLN 96 CO 0.23 -0.03 -0.14 0.42 -2.12 0.00 0.00 175.29 173.65 2pnh s ILE 97 N 0.17 1.41 -0.18 1.08 1.01 -1.26 -0.68 121.20 122.74 2pnh s ILE 97 Ca -0.01 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 60.00 2pnh s ILE 97 Cb -0.02 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 2pnh s ILE 97 CO -0.00 0.42 -0.05 -0.70 0.00 0.00 0.00 174.94 174.61 2pnh s GLU 98 N 0.91 3.49 -0.43 2.79 2.12 0.00 -4.99 118.70 122.61 2pnh s GLU 98 Ca -0.09 -0.59 -0.26 0.00 0.36 0.00 0.00 54.97 54.39 2pnh s GLU 98 Cb -0.15 -2.93 0.02 0.00 0.26 0.00 0.00 34.13 31.33 2pnh s GLU 98 CO -0.00 0.02 0.96 -0.51 -0.54 0.00 0.00 175.26 175.19 2pnh s LEU 99 N 0.92 3.94 0.00 2.70 1.43 -1.26 -1.62 118.68 124.79 2pnh s LEU 99 Ca -0.01 0.35 0.32 0.00 -1.03 0.00 0.00 54.13 53.76 2pnh s LEU 99 Cb -0.15 -3.28 1.81 0.00 0.03 0.00 0.00 46.19 44.61 2pnh s LEU 99 CO 0.01 -1.01 2.18 -0.38 0.23 0.00 0.00 176.35 177.38