#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2p n ASN 2 N 0.00 2.20 -3.82 1.20 2.04 -1.26 -1.15 115.26 114.47 1b2p n ASN 2 Ca 0.00 -1.61 -0.13 0.00 -0.44 0.00 0.00 54.58 52.41 1b2p n ASN 2 Cb 0.00 -0.06 -0.13 0.00 -2.53 0.00 0.00 39.78 37.06 1b2p n ASN 2 CO 0.00 0.00 0.00 -0.51 -0.44 0.00 0.00 177.26 176.31 1b2p s ILE 3 N -0.97 -0.01 -0.12 1.53 2.07 -1.26 -1.21 121.20 121.23 1b2p s ILE 3 Ca 0.16 0.03 -0.01 0.00 -1.41 0.00 0.00 60.65 59.42 1b2p s ILE 3 Cb 0.10 -0.17 -0.02 0.00 0.13 0.00 0.00 42.46 42.50 1b2p s ILE 3 CO 0.15 0.01 -0.09 -0.63 -1.91 0.00 0.00 174.94 172.47 1b2p s ILE 4 N 0.21 3.44 0.04 2.00 1.01 -0.43 -4.40 121.20 123.07 1b2p s ILE 4 Ca -0.01 -0.54 -0.12 0.00 0.00 0.00 0.00 60.65 59.98 1b2p s ILE 4 Cb -0.02 -2.45 -0.06 0.00 0.01 0.00 0.00 42.46 39.94 1b2p s ILE 4 CO -0.01 0.53 0.40 -0.36 0.00 0.00 0.00 174.94 175.50 1b2p s PHE 5 N 0.10 3.64 0.67 3.97 0.08 0.01 -1.04 117.98 125.41 1b2p s PHE 5 Ca -0.04 0.87 -0.17 0.00 0.12 0.00 0.00 56.93 57.71 1b2p s PHE 5 Cb -0.14 -2.21 -0.00 0.00 -0.57 0.00 0.00 43.02 40.10 1b2p s PHE 5 CO 0.04 0.58 1.21 -1.13 -0.10 0.00 0.00 175.22 175.81 1b2p n SER 6 N 1.32 1.62 -4.69 1.36 3.41 -0.61 -4.34 113.62 111.69 1b2p n SER 6 Ca -0.11 0.78 -0.44 0.00 -0.26 0.00 0.00 58.87 58.85 1b2p n SER 6 Cb 0.52 -1.52 -0.03 0.00 -0.26 0.00 0.00 64.21 62.92 1b2p n SER 6 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1b2p n LYS 7 N -1.96 2.62 -3.66 4.33 5.02 -0.13 -4.88 118.16 119.49 1b2p n LYS 7 Ca 0.15 0.95 -0.08 0.00 -2.02 0.00 0.00 58.31 57.31 1b2p n LYS 7 Cb 0.48 -2.81 -0.02 0.00 -0.02 0.00 0.00 35.03 32.66 1b2p n LYS 7 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1b2p s GLN 8 N 2.28 1.44 -1.21 1.97 -2.07 -1.26 -4.60 119.66 116.21 1b2p s GLN 8 Ca 0.81 -0.70 -0.07 0.00 -1.82 0.00 0.00 55.36 53.58 1b2p s GLN 8 Cb -0.54 0.55 0.22 0.00 -1.09 0.00 0.00 33.01 32.15 1b2p s GLN 8 CO 0.38 -0.65 1.75 -0.35 -1.32 0.00 0.00 175.29 175.10 1b2p n PRO 9 N -0.41 3.94 -3.87 9.60 -0.04 -1.26 -4.84 135.00 138.12 1b2p n PRO 9 Ca -0.09 -3.88 -0.09 0.00 -0.04 0.00 0.00 63.50 59.39 1b2p n PRO 9 Cb 0.62 -2.78 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 1b2p n PRO 9 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1b2p s ASP 10 N -0.09 0.11 -0.25 3.54 1.47 -1.26 -5.03 116.67 115.15 1b2p s ASP 10 Ca 0.37 -1.11 0.03 0.00 1.18 0.00 0.00 52.55 53.02 1b2p s ASP 10 Cb 0.08 0.79 0.42 0.00 -0.34 0.00 0.00 42.92 43.88 1b2p s ASP 10 CO 0.04 -1.55 1.50 0.47 0.68 0.00 0.00 175.17 176.31 1b2p n ASP 11 N -1.22 3.53 -4.74 2.11 8.00 -1.26 -4.86 116.55 118.10 1b2p n ASP 11 Ca -0.06 -2.90 -0.40 0.00 0.71 0.00 0.00 54.79 52.13 1b2p n ASP 11 Cb 0.60 -0.69 -0.05 0.00 -0.02 0.00 0.00 41.12 40.96 1b2p n ASP 11 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1b2p s ASN 12 N -0.40 7.57 0.05 -2.24 0.02 -1.26 -4.99 114.94 113.68 1b2p s ASN 12 Ca 0.34 1.93 -0.09 0.00 -1.02 0.00 0.00 52.86 54.02 1b2p s ASN 12 Cb 0.28 -2.60 0.00 0.00 0.02 0.00 0.00 41.25 38.95 1b2p s ASN 12 CO 0.07 0.06 0.18 -1.38 0.02 0.00 0.00 177.10 176.05 1b2p s HIS 13 N -0.80 0.09 0.56 2.20 -3.43 -1.26 -4.50 115.29 108.16 1b2p s HIS 13 Ca 0.43 -0.36 -0.17 0.00 -0.80 0.00 0.00 55.06 54.16 1b2p s HIS 13 Cb -0.26 -0.05 -0.05 0.00 -1.43 0.00 0.00 32.58 30.79 1b2p s HIS 13 CO 0.32 -0.44 1.05 -1.25 -2.00 0.00 0.00 174.74 172.42 1b2p s PRO 14 N -2.78 3.48 0.00 -0.38 0.04 -1.26 -4.87 135.00 129.23 1b2p s PRO 14 Ca -0.03 1.24 0.02 0.00 0.04 0.00 0.00 61.00 62.26 1b2p s PRO 14 Cb -0.00 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.51 1b2p s PRO 14 CO -0.05 -0.69 0.74 1.04 0.04 0.00 0.00 177.00 178.08 1b2p n GLN 15 N -1.71 0.63 -3.73 4.56 6.02 -1.26 -0.81 117.38 121.07 1b2p n GLN 15 Ca 0.09 -0.97 -0.13 0.00 -0.01 0.00 0.00 57.00 55.98 1b2p n GLN 15 Cb 0.53 -1.04 -0.10 0.00 1.02 0.00 0.00 30.24 30.65 1b2p n GLN 15 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1b2p s ILE 16 N -0.46 0.01 -0.37 5.09 1.01 -1.26 -4.32 121.20 120.90 1b2p s ILE 16 Ca 0.03 -0.09 -0.09 0.00 0.00 0.00 0.00 60.65 60.49 1b2p s ILE 16 Cb 0.02 -0.59 0.04 0.00 0.01 0.00 0.00 42.46 41.93 1b2p s ILE 16 CO 0.02 -0.05 0.17 -0.76 0.00 0.00 0.00 174.94 174.32 1b2p s LEU 17 N -0.15 4.63 0.75 2.97 1.43 0.23 -4.97 118.68 123.56 1b2p s LEU 17 Ca -0.03 -1.13 -0.10 0.00 -1.03 0.00 0.00 54.13 51.84 1b2p s LEU 17 Cb -0.03 -1.96 0.06 0.00 0.03 0.00 0.00 46.19 44.29 1b2p s LEU 17 CO 0.02 -0.39 1.10 -1.00 0.23 0.00 0.00 176.35 176.31 1b2p s HIS 18 N 1.47 3.02 0.24 0.29 3.76 -1.26 -0.64 115.29 122.17 1b2p s HIS 18 Ca 0.01 0.69 -0.31 0.00 -0.15 0.00 0.00 55.06 55.30 1b2p s HIS 18 Cb -0.20 -3.29 -0.14 0.00 1.11 0.00 0.00 32.58 30.07 1b2p s HIS 18 CO 0.04 -1.51 1.33 0.00 -0.85 0.00 0.00 174.74 173.76 1b2p n ALA 19 N -3.10 0.77 0.00 -1.40 0.00 -1.09 -0.78 120.51 114.91 1b2p n ALA 19 Ca 0.08 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1b2p n ALA 19 Cb 0.60 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1b2p n ALA 19 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1b2p n THR 20 N 1.55 0.00 -2.09 0.00 -2.24 0.13 -4.93 114.28 106.70 1b2p n THR 20 Ca 0.11 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.60 1b2p n THR 20 Cb 0.31 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.58 1b2p n THR 20 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1b2p s GLU 21 N -0.03 2.98 0.16 -0.78 2.02 0.04 -4.86 118.70 118.22 1b2p s GLU 21 Ca 0.00 0.32 -0.17 0.00 0.02 0.00 0.00 54.97 55.14 1b2p s GLU 21 Cb 0.00 -2.13 0.03 0.00 0.10 0.00 0.00 34.13 32.13 1b2p s GLU 21 CO 0.00 -0.84 0.46 -1.54 0.02 0.00 0.00 175.26 173.36 1b2p s SER 22 N -4.31 -0.25 0.17 -0.19 1.04 -1.26 -1.61 113.70 107.29 1b2p s SER 22 Ca 0.56 -0.41 -0.06 0.00 0.48 0.00 0.00 55.95 56.52 1b2p s SER 22 Cb -0.11 0.53 -0.06 0.00 0.10 0.00 0.00 66.02 66.48 1b2p s SER 22 CO 0.49 -0.96 0.43 -0.76 0.98 0.00 0.00 173.24 173.42 1b2p s LEU 23 N -2.84 4.24 -0.17 2.42 1.43 -0.39 -4.77 118.68 118.59 1b2p s LEU 23 Ca 0.07 0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 53.73 1b2p s LEU 23 Cb 0.00 -3.42 0.05 0.00 0.03 0.00 0.00 46.19 42.86 1b2p s LEU 23 CO -0.07 0.01 0.43 -0.70 0.23 0.00 0.00 176.35 176.25 1b2p s GLU 24 N -2.72 0.44 0.24 1.70 2.12 -0.30 -0.89 118.70 119.28 1b2p s GLU 24 Ca 0.43 0.75 0.01 0.00 0.36 0.00 0.00 54.97 56.52 1b2p s GLU 24 Cb -0.12 0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.30 1b2p s GLU 24 CO 0.24 -0.13 0.17 0.96 -0.54 0.00 0.00 175.26 175.96 1b2p s ILE 25 N 1.06 0.06 0.03 -3.70 -4.36 -0.76 -3.99 121.20 109.55 1b2p s ILE 25 Ca -0.07 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.38 1b2p s ILE 25 Cb -0.07 -2.51 -0.03 0.00 1.25 0.00 0.00 42.46 41.10 1b2p s ILE 25 CO -0.09 0.00 -0.12 -0.76 0.24 0.00 0.00 174.94 174.21 1b2p s LEU 26 N -3.24 2.93 -0.29 0.37 1.02 -1.26 -0.53 118.68 117.68 1b2p s LEU 26 Ca 0.39 -0.29 -0.01 0.00 0.02 0.00 0.00 54.13 54.23 1b2p s LEU 26 Cb 0.06 -1.70 0.09 0.00 0.02 0.00 0.00 46.19 44.66 1b2p s LEU 26 CO 0.16 0.26 0.09 0.12 0.02 0.00 0.00 176.35 177.00 1b2p s PHE 27 N -1.00 1.43 0.00 0.29 5.36 0.73 -4.98 117.98 119.81 1b2p s PHE 27 Ca 0.17 -1.51 0.00 0.00 -0.96 0.00 0.00 56.93 54.63 1b2p s PHE 27 Cb -0.11 -1.51 0.00 0.00 -0.34 0.00 0.00 43.02 41.06 1b2p s PHE 27 CO 0.08 -0.84 0.00 0.41 -1.46 0.00 0.00 175.22 173.41 1b2p n GLY 28 N 4.93 2.83 1.23 13.12 0.00 -1.26 -1.11 105.19 124.93 1b2p n GLY 28 Ca -0.04 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 45.86 1b2p n GLY 28 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b2p n THR 29 N 0.00 1.07 -3.20 2.61 -2.24 -1.26 -4.92 114.28 106.34 1b2p n THR 29 Ca 0.00 -1.02 -0.37 0.00 -2.27 0.00 0.00 64.05 60.39 1b2p n THR 29 Cb 0.00 0.47 -0.06 0.00 -2.10 0.00 0.00 70.33 68.64 1b2p n THR 29 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1b2p s HIS 30 N -1.08 3.72 -0.17 4.78 4.02 -0.26 -5.00 115.29 121.29 1b2p s HIS 30 Ca 0.44 1.30 -0.05 0.00 1.02 0.00 0.00 55.06 57.77 1b2p s HIS 30 Cb 0.24 -2.54 -0.03 0.00 -1.02 0.00 0.00 32.58 29.23 1b2p s HIS 30 CO 0.29 0.46 -0.00 0.08 1.02 0.00 0.00 174.74 176.59 1b2p s VAL 31 N -1.34 4.16 -0.19 -0.90 1.01 -1.26 -0.19 120.40 121.69 1b2p s VAL 31 Ca 0.37 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 1b2p s VAL 31 Cb -0.18 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 1b2p s VAL 31 CO 0.21 0.47 -0.02 -0.31 0.00 0.00 0.00 175.10 175.45 1b2p s TYR 32 N 0.50 3.02 -0.03 5.22 2.02 0.31 -0.62 117.35 127.77 1b2p s TYR 32 Ca -0.01 -0.47 0.03 0.00 -0.37 0.00 0.00 57.07 56.25 1b2p s TYR 32 Cb -0.14 -2.05 -0.00 0.00 -0.40 0.00 0.00 41.96 39.38 1b2p s TYR 32 CO 0.02 -0.22 -0.13 1.03 -1.57 0.00 0.00 175.55 174.69 1b2p s ARG 33 N 0.86 1.25 -0.30 -0.62 0.52 -0.82 -1.83 118.95 118.00 1b2p s ARG 33 Ca 0.00 -0.44 0.02 0.00 -0.52 0.00 0.00 55.73 54.79 1b2p s ARG 33 Cb -0.14 -1.14 0.08 0.00 0.52 0.00 0.00 34.95 34.26 1b2p s ARG 33 CO 0.02 0.20 -0.01 0.12 0.02 0.00 0.00 175.30 175.64 1b2p s PHE 34 N 0.01 3.45 -0.03 -0.53 5.36 -0.07 -0.71 117.98 125.47 1b2p s PHE 34 Ca -0.01 -2.47 0.06 0.00 -0.96 0.00 0.00 56.93 53.55 1b2p s PHE 34 Cb -0.09 -2.38 -0.01 0.00 -0.34 0.00 0.00 43.02 40.20 1b2p s PHE 34 CO 0.01 -0.90 -0.21 -1.50 -1.46 0.00 0.00 175.22 171.16 1b2p s ILE 35 N 1.07 1.65 -0.63 3.12 2.07 0.09 -1.26 121.20 127.32 1b2p s ILE 35 Ca -0.01 -0.88 -0.23 0.00 -1.41 0.00 0.00 60.65 58.13 1b2p s ILE 35 Cb -0.20 -1.39 0.06 0.00 0.13 0.00 0.00 42.46 41.07 1b2p s ILE 35 CO -0.05 0.47 0.95 -0.32 -1.91 0.00 0.00 174.94 174.08 1b2p s MET 36 N -0.32 3.17 0.64 3.50 -2.45 -0.63 -1.31 119.30 121.89 1b2p s MET 36 Ca 0.04 -0.66 -0.11 0.00 -1.25 0.00 0.00 55.69 53.71 1b2p s MET 36 Cb -0.10 -4.17 -0.02 0.00 1.25 0.00 0.00 34.83 31.79 1b2p s MET 36 CO 0.00 -1.71 1.03 -0.65 1.05 0.00 0.00 175.02 174.75 1b2p s GLN 37 N 4.03 3.36 0.55 4.11 -0.21 -0.52 0.20 119.66 131.19 1b2p s GLN 37 Ca 0.24 0.62 0.26 0.00 0.02 0.00 0.00 55.36 56.50 1b2p s GLN 37 Cb -0.15 -2.08 1.60 0.00 1.00 0.00 0.00 33.01 33.37 1b2p s GLN 37 CO 0.13 -0.69 2.18 1.15 -2.12 0.00 0.00 175.29 175.94 1b2p h THR 38 N -0.38 0.65 -0.20 -0.19 2.02 -1.92 -1.46 112.91 111.43 1b2p h THR 38 Ca -0.44 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1b2p h THR 38 Cb 1.21 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 1b2p h THR 38 CO 0.62 0.04 0.00 -0.90 0.37 0.00 0.00 175.52 175.66 1b2p n ASP 39 N -3.93 1.46 0.00 4.18 5.75 -1.26 -4.42 116.55 118.34 1b2p n ASP 39 Ca -0.03 -2.07 0.00 0.00 -0.01 0.00 0.00 54.79 52.68 1b2p n ASP 39 Cb 0.13 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 1b2p n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b2p s ASN 41 N -2.37 6.71 -0.25 0.00 3.04 -1.26 -4.33 114.94 116.48 1b2p s ASN 41 Ca 0.00 0.84 -0.08 0.00 0.04 0.00 0.00 52.86 53.67 1b2p s ASN 41 Cb 0.00 -2.26 -0.03 0.00 -1.54 0.00 0.00 41.25 37.41 1b2p s ASN 41 CO 0.00 0.13 0.08 -0.22 -3.04 0.00 0.00 177.10 174.05 1b2p s LEU 42 N -0.02 3.52 -0.01 3.21 2.96 -1.26 -1.44 118.68 125.65 1b2p s LEU 42 Ca 0.24 -0.16 0.05 0.00 -0.22 0.00 0.00 54.13 54.04 1b2p s LEU 42 Cb -0.16 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 1b2p s LEU 42 CO 0.11 -0.02 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.27 1b2p s VAL 43 N 1.52 1.23 -0.24 1.68 1.01 -0.43 -1.34 120.40 123.83 1b2p s VAL 43 Ca 0.06 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.24 1b2p s VAL 43 Cb -0.15 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1b2p s VAL 43 CO 0.04 0.31 0.10 -0.22 0.00 0.00 0.00 175.10 175.34 1b2p s LEU 44 N -0.47 3.70 -0.06 3.92 2.96 0.37 -0.73 118.68 128.38 1b2p s LEU 44 Ca 0.06 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1b2p s LEU 44 Cb -0.06 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 1b2p s LEU 44 CO -0.00 0.01 -0.00 -0.31 -1.32 0.00 0.00 176.35 174.72 1b2p s TYR 45 N 1.38 3.12 -0.36 5.38 2.02 0.11 -0.45 117.35 128.55 1b2p s TYR 45 Ca 0.06 0.15 -0.07 0.00 -0.37 0.00 0.00 57.07 56.83 1b2p s TYR 45 Cb -0.15 -1.75 0.05 0.00 -0.40 0.00 0.00 41.96 39.71 1b2p s TYR 45 CO 0.05 0.46 0.15 0.34 -1.57 0.00 0.00 175.55 174.98 1b2p s ASP 46 N -1.08 5.43 1.63 2.29 -1.08 0.06 -1.94 116.67 121.98 1b2p s ASP 46 Ca 0.15 -1.23 0.00 0.00 -0.52 0.00 0.00 52.55 50.95 1b2p s ASP 46 Cb -0.11 -1.91 0.00 0.00 -1.46 0.00 0.00 42.92 39.44 1b2p s ASP 46 CO 0.05 -0.38 0.00 0.59 0.52 0.00 0.00 175.17 175.94 1b2p n ASN 47 N 4.84 0.00 -1.40 -0.34 5.03 0.21 -1.66 115.26 121.94 1b2p n ASN 47 Ca -0.11 0.00 0.09 0.00 0.87 0.00 0.00 54.58 55.43 1b2p n ASN 47 Cb 0.44 0.00 0.32 0.00 -1.02 0.00 0.00 39.78 39.52 1b2p n ASN 47 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1b2p n ASN 48 N 5.64 4.11 -4.69 6.41 4.13 -1.26 -4.90 115.26 124.69 1b2p n ASN 48 Ca 0.00 -2.25 -0.36 0.00 1.68 0.00 0.00 54.58 53.65 1b2p n ASN 48 Cb 0.00 -0.52 -0.09 0.00 -1.54 0.00 0.00 39.78 37.64 1b2p n ASN 48 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1b2p s ASN 49 N -0.91 6.12 0.02 6.41 0.01 -0.67 -5.06 114.94 120.87 1b2p s ASN 49 Ca 0.46 0.17 -0.30 0.00 -0.71 0.00 0.00 52.86 52.48 1b2p s ASN 49 Cb 0.28 -2.08 -0.05 0.00 0.41 0.00 0.00 41.25 39.81 1b2p s ASN 49 CO 0.26 0.13 1.16 -2.16 -1.51 0.00 0.00 177.10 174.98 1b2p s PRO 50 N 0.64 4.43 -0.01 -0.60 0.04 -1.26 -0.76 135.00 137.48 1b2p s PRO 50 Ca 0.07 1.68 0.07 0.00 0.04 0.00 0.00 61.00 62.87 1b2p s PRO 50 Cb -0.12 -3.42 -0.10 0.00 0.04 0.00 0.00 34.50 30.90 1b2p s PRO 50 CO 0.01 -0.27 0.18 0.44 0.04 0.00 0.00 177.00 177.40 1b2p n ILE 51 N 4.09 0.00 -3.52 0.56 -5.35 0.41 -4.91 119.36 110.63 1b2p n ILE 51 Ca 0.09 -0.20 -0.17 0.00 -0.27 0.00 0.00 62.75 62.19 1b2p n ILE 51 Cb 0.47 0.50 -0.06 0.00 -1.74 0.00 0.00 39.64 38.81 1b2p n ILE 51 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 1b2p s TRP 52 N -2.28 -0.64 0.17 4.28 -0.00 -1.15 -5.00 118.94 114.32 1b2p s TRP 52 Ca -0.01 1.08 -0.17 0.00 -0.00 0.00 0.00 56.10 56.99 1b2p s TRP 52 Cb 0.05 0.42 0.03 0.00 -0.00 0.00 0.00 33.47 33.97 1b2p s TRP 52 CO 0.29 -0.61 0.48 0.00 -0.00 0.00 0.00 176.95 177.10 1b2p s ALA 53 N -1.30 -0.93 -1.14 5.86 0.00 -1.26 -0.48 121.76 122.51 1b2p s ALA 53 Ca -0.10 -0.15 0.29 0.00 0.00 0.00 0.00 51.96 52.01 1b2p s ALA 53 Cb -0.00 0.80 1.32 0.00 0.00 0.00 0.00 23.12 25.25 1b2p s ALA 53 CO 0.09 -0.74 1.97 0.25 0.00 0.00 0.00 175.76 177.32 1b2p n THR 54 N -0.30 0.01 -3.57 0.00 -2.24 -0.45 -4.94 114.28 102.80 1b2p n THR 54 Ca -0.12 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.45 1b2p n THR 54 Cb 0.63 -0.50 0.07 0.00 -2.10 0.00 0.00 70.33 68.43 1b2p n THR 54 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1b2p n ASN 55 N -1.43 -3.31 -0.35 3.42 5.03 -1.26 -4.94 115.26 112.42 1b2p n ASN 55 Ca 0.09 -0.65 0.05 0.00 0.87 0.00 0.00 54.58 54.94 1b2p n ASN 55 Cb 0.31 -4.81 0.11 0.00 -1.02 0.00 0.00 39.78 34.37 1b2p n ASN 55 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1b2p n THR 56 N -4.44 1.34 -1.83 3.41 -2.24 -1.26 -5.04 114.28 104.22 1b2p n THR 56 Ca -0.18 -1.34 -0.41 0.00 -2.27 0.00 0.00 64.05 59.84 1b2p n THR 56 Cb 0.63 0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 69.11 1b2p n THR 56 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1b2p s GLY 57 N -1.45 2.17 0.00 3.38 0.00 -1.26 -2.03 107.32 108.14 1b2p s GLY 57 Ca 0.19 1.52 0.00 0.00 0.00 0.00 0.00 44.72 46.43 1b2p s GLY 57 CO 0.07 2.49 0.00 0.61 0.00 0.00 0.00 173.10 176.26 1b2p n GLY 58 N 2.15 1.56 0.02 0.20 0.00 0.59 -4.87 105.19 104.83 1b2p n GLY 58 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1b2p n GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b2p n LEU 59 N 0.00 0.30 -3.85 0.99 4.77 -0.86 -4.93 117.00 113.42 1b2p n LEU 59 Ca 0.00 0.38 -0.03 0.00 -0.03 0.00 0.00 56.01 56.32 1b2p n LEU 59 Cb 0.00 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 40.71 1b2p n LEU 59 CO 0.00 -0.01 0.78 -0.83 -1.33 0.00 0.00 177.39 176.01 1b2p s GLY 60 N -3.15 0.07 0.16 -0.72 0.00 -1.26 -5.03 107.32 97.38 1b2p s GLY 60 Ca 0.12 -0.27 0.11 0.00 0.00 0.00 0.00 44.72 44.67 1b2p s GLY 60 CO 0.59 1.81 -0.23 -1.31 0.00 0.00 0.00 173.10 173.97 1b2p s ASN 61 N -3.30 3.54 -1.22 1.64 0.01 -1.26 -4.41 114.94 109.95 1b2p s ASN 61 Ca 0.20 -0.75 -0.06 0.00 -0.71 0.00 0.00 52.86 51.53 1b2p s ASN 61 Cb -0.02 -0.33 0.01 0.00 0.41 0.00 0.00 41.25 41.31 1b2p s ASN 61 CO 0.05 0.15 1.06 0.61 -1.51 0.00 0.00 177.10 177.45 1b2p n GLY 62 N 0.54 -0.40 3.86 0.66 0.00 -1.26 -1.19 105.19 107.39 1b2p n GLY 62 Ca -0.15 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1b2p n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b2p s ARG 64 N -4.64 0.59 -0.08 0.00 1.70 -0.12 -2.69 118.95 113.73 1b2p s ARG 64 Ca 0.56 -1.05 0.02 0.00 -0.47 0.00 0.00 55.73 54.79 1b2p s ARG 64 Cb -0.10 -0.00 -0.03 0.00 -0.57 0.00 0.00 34.95 34.25 1b2p s ARG 64 CO 0.43 -0.05 -0.11 0.00 -1.08 0.00 0.00 175.30 174.49 1b2p s ALA 65 N -2.92 2.77 0.06 7.88 0.00 0.18 -0.74 121.76 128.99 1b2p s ALA 65 Ca 0.01 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.06 1b2p s ALA 65 Cb 0.01 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 1b2p s ALA 65 CO -0.05 0.49 -0.07 0.14 0.00 0.00 0.00 175.76 176.26 1b2p s VAL 66 N -0.50 0.59 -0.34 0.00 -7.23 -0.61 -0.60 120.40 111.71 1b2p s VAL 66 Ca 0.07 -1.39 -0.08 0.00 -1.81 0.00 0.00 61.98 58.77 1b2p s VAL 66 Cb -0.12 -1.00 0.03 0.00 0.56 0.00 0.00 36.38 35.85 1b2p s VAL 66 CO 0.02 -0.56 0.13 -0.22 -0.31 0.00 0.00 175.10 174.16 1b2p s LEU 67 N -2.11 4.31 0.97 1.32 2.96 -1.26 -0.72 118.68 124.15 1b2p s LEU 67 Ca -0.02 -0.95 -0.14 0.00 -0.22 0.00 0.00 54.13 52.80 1b2p s LEU 67 Cb -0.04 -1.93 0.17 0.00 0.50 0.00 0.00 46.19 44.89 1b2p s LEU 67 CO -0.02 -0.30 1.15 -1.10 -1.32 0.00 0.00 176.35 174.76 1b2p s GLN 68 N 1.49 0.63 0.00 1.98 -0.21 -0.01 -0.96 119.66 122.58 1b2p s GLN 68 Ca 0.01 0.16 0.23 0.00 0.02 0.00 0.00 55.36 55.78 1b2p s GLN 68 Cb -0.19 -1.79 1.38 0.00 1.00 0.00 0.00 33.01 33.41 1b2p s GLN 68 CO 0.04 -2.52 1.86 -2.30 -2.12 0.00 0.00 175.29 170.26 1b2p n PRO 69 N -3.96 0.96 -0.28 2.91 -0.02 -1.26 -0.88 135.00 132.45 1b2p n PRO 69 Ca 0.08 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.64 1b2p n PRO 69 Cb 0.59 -1.38 0.22 0.00 -0.02 0.00 0.00 33.50 32.91 1b2p n PRO 69 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1b2p n ASP 70 N -0.88 3.41 0.00 2.55 5.75 -1.26 -0.65 116.55 125.47 1b2p n ASP 70 Ca 0.17 -2.14 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 1b2p n ASP 70 Cb 0.08 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 1b2p n ASP 70 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b2p n GLY 71 N 0.71 0.72 3.69 6.12 0.00 -0.06 -0.09 105.19 116.28 1b2p n GLY 71 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1b2p n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b2p s VAL 72 N -2.61 4.99 -0.01 1.61 1.01 -1.26 -4.84 120.40 119.29 1b2p s VAL 72 Ca 0.00 1.45 -0.22 0.00 0.00 0.00 0.00 61.98 63.21 1b2p s VAL 72 Cb 0.00 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 1b2p s VAL 72 CO 0.00 0.16 0.65 -0.22 0.00 0.00 0.00 175.10 175.69 1b2p s LEU 73 N 1.40 4.39 0.10 3.92 2.96 -1.26 -0.83 118.68 129.36 1b2p s LEU 73 Ca 0.36 1.21 0.04 0.00 -0.22 0.00 0.00 54.13 55.52 1b2p s LEU 73 Cb -0.17 -3.02 -0.04 0.00 0.50 0.00 0.00 46.19 43.47 1b2p s LEU 73 CO 0.15 0.02 -0.10 0.68 -1.32 0.00 0.00 176.35 175.78 1b2p s VAL 74 N 0.13 0.95 -0.16 1.68 -7.23 0.10 -0.80 120.40 115.07 1b2p s VAL 74 Ca 0.34 -1.66 -0.00 0.00 -1.81 0.00 0.00 61.98 58.85 1b2p s VAL 74 Cb -0.18 -1.38 -0.00 0.00 0.56 0.00 0.00 36.38 35.37 1b2p s VAL 74 CO 0.18 -0.57 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.58 1b2p s VAL 75 N -2.48 2.76 -0.03 1.32 1.01 -0.76 -1.57 120.40 120.66 1b2p s VAL 75 Ca 0.06 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.36 1b2p s VAL 75 Cb -0.03 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1b2p s VAL 75 CO -0.00 0.51 -0.18 -0.63 0.00 0.00 0.00 175.10 174.80 1b2p s ILE 76 N 0.86 1.47 0.89 2.22 1.01 0.08 -1.23 121.20 126.49 1b2p s ILE 76 Ca -0.04 -0.77 -0.09 0.00 0.00 0.00 0.00 60.65 59.75 1b2p s ILE 76 Cb -0.15 -1.24 0.19 0.00 0.01 0.00 0.00 42.46 41.27 1b2p s ILE 76 CO -0.01 0.42 1.21 0.42 0.00 0.00 0.00 174.94 176.98 1b2p s THR 77 N -0.23 2.01 -2.00 2.92 -4.23 0.02 -0.94 115.64 113.18 1b2p s THR 77 Ca 0.02 -0.28 0.21 0.00 -1.18 0.00 0.00 61.69 60.47 1b2p s THR 77 Cb -0.09 -2.73 0.59 0.00 1.34 0.00 0.00 72.50 71.61 1b2p s THR 77 CO 0.01 0.00 1.68 -0.46 -0.54 0.00 0.00 174.62 175.31 1b2p n ASN 78 N -3.44 0.00 -1.15 3.99 2.04 -0.34 -0.48 115.26 115.89 1b2p n ASN 78 Ca 0.17 -0.95 0.08 0.00 -0.44 0.00 0.00 54.58 53.44 1b2p n ASN 78 Cb 0.60 0.00 0.28 0.00 -2.53 0.00 0.00 39.78 38.13 1b2p n ASN 78 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1b2p n GLU 79 N -0.91 3.30 -3.33 -3.83 -0.58 -1.26 -4.97 120.64 109.07 1b2p n GLU 79 Ca 0.16 -2.65 -0.24 0.00 -0.42 0.00 0.00 57.16 54.01 1b2p n GLU 79 Cb 0.07 -1.71 0.05 0.00 -0.57 0.00 0.00 31.44 29.29 1b2p n GLU 79 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1b2p n ASN 80 N 0.55 -6.09 -4.70 1.62 5.03 0.37 -4.98 115.26 107.06 1b2p n ASN 80 Ca 0.21 -0.43 -0.37 0.00 0.87 0.00 0.00 54.58 54.86 1b2p n ASN 80 Cb 0.76 -4.86 -0.07 0.00 -1.02 0.00 0.00 39.78 34.59 1b2p n ASN 80 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1b2p s VAL 81 N -3.24 5.23 -0.13 2.41 1.01 -1.26 -4.84 120.40 119.59 1b2p s VAL 81 Ca 0.45 0.69 -0.27 0.00 0.00 0.00 0.00 61.98 62.85 1b2p s VAL 81 Cb -0.20 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 1b2p s VAL 81 CO 0.55 0.31 0.89 -0.89 0.00 0.00 0.00 175.10 175.96 1b2p s THR 82 N 0.92 4.86 -1.30 3.92 2.01 -1.26 -0.80 115.64 124.00 1b2p s THR 82 Ca 0.19 1.77 0.14 0.00 0.31 0.00 0.00 61.69 64.11 1b2p s THR 82 Cb -0.14 -4.20 0.01 0.00 0.01 0.00 0.00 72.50 68.18 1b2p s THR 82 CO 0.07 0.05 0.78 1.33 -0.69 0.00 0.00 174.62 176.16 1b2p n VAL 83 N 4.55 0.00 -3.61 3.82 0.24 -0.36 -4.98 118.33 117.98 1b2p n VAL 83 Ca 0.05 -0.37 -0.12 0.00 -2.04 0.00 0.00 64.34 61.87 1b2p n VAL 83 Cb 0.49 1.17 -0.07 0.00 -1.47 0.00 0.00 33.84 33.97 1b2p n VAL 83 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1b2p s TRP 84 N -1.64 -0.57 0.01 6.34 -0.00 -1.21 -4.98 118.94 116.89 1b2p s TRP 84 Ca 0.12 1.28 -0.06 0.00 -0.00 0.00 0.00 56.10 57.44 1b2p s TRP 84 Cb 0.11 0.36 -0.00 0.00 -0.00 0.00 0.00 33.47 33.94 1b2p s TRP 84 CO 0.33 -0.34 0.12 1.14 -0.00 0.00 0.00 176.95 178.20 1b2p s GLN 85 N -0.14 0.49 0.78 5.86 -2.07 -1.26 -1.83 119.66 121.50 1b2p s GLN 85 Ca -0.00 -0.48 -0.11 0.00 -1.82 0.00 0.00 55.36 52.95 1b2p s GLN 85 Cb -0.04 0.20 0.06 0.00 -1.09 0.00 0.00 33.01 32.14 1b2p s GLN 85 CO -0.01 -0.12 1.08 -1.54 -1.32 0.00 0.00 175.29 173.39 1b2p s SER 86 N -1.53 4.53 0.00 12.60 1.04 0.02 -4.94 113.70 125.42 1b2p s SER 86 Ca -0.13 1.66 0.26 0.00 0.48 0.00 0.00 55.95 58.22 1b2p s SER 86 Cb -0.07 -2.40 0.68 0.00 0.10 0.00 0.00 66.02 64.33 1b2p s SER 86 CO 0.00 -2.00 1.53 -0.81 0.98 0.00 0.00 173.24 172.94 1b2p n PRO 87 N -3.48 1.52 -4.56 4.02 -0.04 -1.26 -4.77 135.00 126.42 1b2p n PRO 87 Ca 0.08 -1.03 -0.23 0.00 -0.04 0.00 0.00 63.50 62.28 1b2p n PRO 87 Cb 0.54 -1.48 -0.16 0.00 -0.04 0.00 0.00 33.50 32.36 1b2p n PRO 87 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1b2p s VAL 88 N -2.19 1.05 0.16 0.52 0.11 -1.26 -5.14 120.40 113.65 1b2p s VAL 88 Ca 0.30 -0.49 0.09 0.00 -2.93 0.00 0.00 61.98 58.95 1b2p s VAL 88 Cb 0.20 -0.92 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 1b2p s VAL 88 CO 0.41 0.32 -0.13 0.00 -3.33 0.00 0.00 175.10 172.36 1b2p s ALA 89 N 0.22 2.85 0.16 1.54 0.00 -1.26 -4.46 121.76 120.81 1b2p s ALA 89 Ca -0.05 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.46 1b2p s ALA 89 Cb -0.11 -0.68 -0.00 0.00 0.00 0.00 0.00 23.12 22.33 1b2p s ALA 89 CO 0.01 0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.69 1b2p n GLY 90 N 0.27 3.99 3.75 0.00 0.00 0.88 -5.05 105.19 109.03 1b2p n GLY 90 Ca -0.12 -2.26 -0.33 0.00 0.00 0.00 0.00 46.02 43.31 1b2p n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b2p s LYS 91 N -2.59 2.39 0.30 1.61 -2.85 -1.26 -4.66 119.74 112.68 1b2p s LYS 91 Ca 0.00 1.41 -0.30 0.00 -1.00 0.00 0.00 55.97 56.08 1b2p s LYS 91 Cb 0.00 -1.90 -0.11 0.00 -2.06 0.00 0.00 37.83 33.76 1b2p s LYS 91 CO 0.00 -1.57 1.54 0.00 0.10 0.00 0.00 175.35 175.42 1b2p s ALA 92 N -2.46 3.69 0.00 0.59 0.00 -1.26 -4.51 121.76 117.81 1b2p s ALA 92 Ca 0.67 1.53 0.00 0.00 0.00 0.00 0.00 51.96 54.15 1b2p s ALA 92 Cb -0.21 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.29 1b2p s ALA 92 CO 0.47 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.69 1b2p n GLY 93 N 1.84 -0.92 3.31 0.00 0.00 0.17 -5.00 105.19 104.59 1b2p n GLY 93 Ca 0.06 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1b2p n GLY 93 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1b2p s HIS 94 N -4.00 2.48 0.11 1.61 3.76 -1.26 -4.71 115.29 113.28 1b2p s HIS 94 Ca 0.00 -0.58 -0.01 0.00 -0.15 0.00 0.00 55.06 54.32 1b2p s HIS 94 Cb 0.00 -1.60 -0.04 0.00 1.11 0.00 0.00 32.58 32.05 1b2p s HIS 94 CO 0.00 -0.13 0.02 0.71 -0.85 0.00 0.00 174.74 174.49 1b2p s TYR 95 N -0.30 0.80 0.01 1.40 1.51 -1.26 -2.90 117.35 116.62 1b2p s TYR 95 Ca 0.01 -1.14 0.01 0.00 -1.01 0.00 0.00 57.07 54.94 1b2p s TYR 95 Cb -0.13 -0.48 -0.01 0.00 -0.11 0.00 0.00 41.96 41.23 1b2p s TYR 95 CO 0.02 -0.42 -0.05 0.14 -1.11 0.00 0.00 175.55 174.13 1b2p s VAL 96 N -3.94 0.36 -0.16 0.71 -7.23 -0.54 -1.57 120.40 108.02 1b2p s VAL 96 Ca 0.18 -0.47 -0.05 0.00 -1.81 0.00 0.00 61.98 59.83 1b2p s VAL 96 Cb 0.07 -0.36 -0.03 0.00 0.56 0.00 0.00 36.38 36.62 1b2p s VAL 96 CO -0.02 -0.08 0.02 -0.22 -0.31 0.00 0.00 175.10 174.49 1b2p s LEU 97 N -0.59 3.57 -0.06 1.32 0.20 -0.21 -0.50 118.68 122.41 1b2p s LEU 97 Ca -0.03 0.00 0.04 0.00 0.69 0.00 0.00 54.13 54.83 1b2p s LEU 97 Cb -0.04 -1.88 0.00 0.00 -0.43 0.00 0.00 46.19 43.84 1b2p s LEU 97 CO -0.00 0.19 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.38 1b2p s VAL 98 N 0.27 1.50 -0.27 1.68 1.01 0.36 -1.31 120.40 123.64 1b2p s VAL 98 Ca 0.01 -0.74 -0.20 0.00 0.00 0.00 0.00 61.98 61.05 1b2p s VAL 98 Cb -0.13 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 1b2p s VAL 98 CO 0.01 0.43 0.61 -0.22 0.00 0.00 0.00 175.10 175.94 1b2p s LEU 99 N 0.20 4.08 0.22 3.92 2.96 -0.35 -1.81 118.68 127.90 1b2p s LEU 99 Ca -0.08 0.60 0.06 0.00 -0.22 0.00 0.00 54.13 54.49 1b2p s LEU 99 Cb -0.14 -2.81 -0.03 0.00 0.50 0.00 0.00 46.19 43.71 1b2p s LEU 99 CO 0.04 -0.38 0.23 -1.10 -1.32 0.00 0.00 176.35 173.81 1b2p s GLN 100 N 2.50 3.08 0.59 1.98 -0.21 -0.52 -4.88 119.66 122.20 1b2p s GLN 100 Ca 0.25 -0.91 0.35 0.00 0.02 0.00 0.00 55.36 55.07 1b2p s GLN 100 Cb -0.15 -2.69 1.87 0.00 1.00 0.00 0.00 33.01 33.04 1b2p s GLN 100 CO 0.09 0.44 2.20 -1.35 -2.12 0.00 0.00 175.29 174.55 1b2p h PRO 101 N 1.67 0.00 -0.08 2.91 0.11 -1.95 0.02 132.00 134.67 1b2p h PRO 101 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1b2p h PRO 101 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1b2p h PRO 101 CO 0.62 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 178.05 1b2p n ASP 102 N -3.40 0.58 0.00 -2.05 5.75 -1.26 -4.88 116.55 111.29 1b2p n ASP 102 Ca -0.02 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 1b2p n ASP 102 Cb 0.16 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 1b2p n ASP 102 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1b2p n ARG 103 N -0.30 0.00 -3.32 0.11 0.63 -0.01 -5.03 116.66 108.74 1b2p n ARG 103 Ca 0.09 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.70 1b2p n ARG 103 Cb 0.13 -2.83 -0.06 0.00 0.45 0.00 0.00 32.46 30.15 1b2p n ARG 103 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1b2p s ASN 104 N -2.21 6.72 -0.17 6.15 2.47 -1.26 -4.84 114.94 121.80 1b2p s ASN 104 Ca 0.00 1.06 -0.01 0.00 0.42 0.00 0.00 52.86 54.33 1b2p s ASN 104 Cb 0.00 -2.28 -0.00 0.00 -1.45 0.00 0.00 41.25 37.51 1b2p s ASN 104 CO 0.00 -0.06 -0.13 -0.69 -3.72 0.00 0.00 177.10 172.50 1b2p s VAL 105 N -1.77 2.86 -0.00 -5.21 1.01 -1.26 -1.44 120.40 114.58 1b2p s VAL 105 Ca 0.47 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.79 1b2p s VAL 105 Cb -0.12 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 1b2p s VAL 105 CO 0.20 0.50 -0.12 -0.69 0.00 0.00 0.00 175.10 174.99 1b2p s VAL 106 N 0.93 0.94 -0.20 2.92 1.01 -0.75 -4.95 120.40 120.30 1b2p s VAL 106 Ca -0.03 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 1b2p s VAL 106 Cb -0.15 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1b2p s VAL 106 CO -0.01 0.23 0.09 -0.63 0.00 0.00 0.00 175.10 174.78 1b2p s ILE 107 N -0.34 4.99 0.08 2.22 1.01 -1.26 -0.49 121.20 127.41 1b2p s ILE 107 Ca 0.04 0.04 0.09 0.00 0.00 0.00 0.00 60.65 60.82 1b2p s ILE 107 Cb -0.05 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 1b2p s ILE 107 CO -0.00 0.43 -0.22 -0.31 0.00 0.00 0.00 174.94 174.83 1b2p s TYR 108 N 0.54 2.43 -5.00 3.97 2.02 0.35 -4.98 117.35 116.68 1b2p s TYR 108 Ca 0.05 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 1b2p s TYR 108 Cb -0.12 -1.37 0.00 0.00 -0.40 0.00 0.00 41.96 40.06 1b2p s TYR 108 CO 0.01 0.26 0.00 0.41 -1.57 0.00 0.00 175.55 174.66 1b2p n GLY 109 N 1.32 -2.54 1.25 0.71 0.00 -1.26 -1.47 105.19 103.21 1b2p n GLY 109 Ca -0.17 -1.32 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 1b2p n GLY 109 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b2p n ASP 110 N 3.00 0.06 -4.72 1.61 5.75 -1.26 -5.05 116.55 115.94 1b2p n ASP 110 Ca 0.00 -1.17 -0.42 0.00 -0.01 0.00 0.00 54.79 53.19 1b2p n ASP 110 Cb 0.00 -0.32 -0.03 0.00 -1.03 0.00 0.00 41.12 39.74 1b2p n ASP 110 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b2p s ALA 111 N -3.91 3.59 -0.15 2.12 0.00 -1.14 -4.93 121.76 117.34 1b2p s ALA 111 Ca 0.24 1.13 -0.04 0.00 0.00 0.00 0.00 51.96 53.30 1b2p s ALA 111 Cb -0.01 -3.53 -0.24 0.00 0.00 0.00 0.00 23.12 19.34 1b2p s ALA 111 CO 0.17 -0.61 0.25 -0.11 0.00 0.00 0.00 175.76 175.46 1b2p n LEU 112 N 3.63 2.61 -3.51 0.00 7.94 -1.26 -5.01 117.00 121.39 1b2p n LEU 112 Ca 0.10 0.14 -0.15 0.00 -1.11 0.00 0.00 56.01 55.00 1b2p n LEU 112 Cb 0.42 -1.01 -0.05 0.00 0.53 0.00 0.00 43.42 43.32 1b2p n LEU 112 CO 0.59 0.85 0.38 0.86 -1.11 0.00 0.00 177.39 178.95 1b2p s TRP 113 N -2.55 -0.55 0.13 1.96 -0.00 -1.26 -5.19 118.94 111.47 1b2p s TRP 113 Ca -0.24 0.72 -0.06 0.00 -0.00 0.00 0.00 56.10 56.51 1b2p s TRP 113 Cb 0.07 0.42 -0.02 0.00 -0.00 0.00 0.00 33.47 33.95 1b2p s TRP 113 CO 0.74 -0.68 0.18 0.00 -0.00 0.00 0.00 176.95 177.19 1b2p s ALA 114 N -2.22 0.17 -0.43 5.86 0.00 -1.26 -5.02 121.76 118.86 1b2p s ALA 114 Ca -0.06 -0.97 0.26 0.00 0.00 0.00 0.00 51.96 51.19 1b2p s ALA 114 Cb -0.01 0.70 0.87 0.00 0.00 0.00 0.00 23.12 24.68 1b2p s ALA 114 CO 0.01 -0.55 1.77 1.79 0.00 0.00 0.00 175.76 178.77 1b2p h THR 115 N 2.73 0.00 -5.19 0.00 1.35 -2.07 -3.47 112.91 106.25 1b2p h THR 115 Ca -0.33 -0.54 -0.26 0.00 -0.55 0.00 0.00 66.41 64.73 1b2p h THR 115 Cb 1.21 1.46 0.16 0.00 -1.73 0.00 0.00 68.15 69.25 1b2p h THR 115 CO 0.54 0.00 -0.71 0.00 -0.25 0.00 0.00 175.52 175.10 1b2p n GLN 116 N -2.61 -4.08 -0.33 4.72 6.02 -1.26 -4.95 117.38 114.88 1b2p n GLN 116 Ca 0.03 0.76 0.08 0.00 -0.01 0.00 0.00 57.00 57.86 1b2p n GLN 116 Cb 0.37 -5.40 0.15 0.00 1.02 0.00 0.00 30.24 26.38 1b2p n GLN 116 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1b2p n THR 117 N -3.42 1.83 -1.69 5.09 -2.24 -1.26 -5.05 114.28 107.54 1b2p n THR 117 Ca -0.17 -2.44 -0.43 0.00 -2.27 0.00 0.00 64.05 58.74 1b2p n THR 117 Cb 0.63 -0.15 -0.01 0.00 -2.10 0.00 0.00 70.33 68.69 1b2p n THR 117 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1b2p n VAL 118 N -1.18 1.55 0.00 2.28 0.31 -1.26 -5.31 118.33 114.71 1b2p n VAL 118 Ca 0.16 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1b2p n VAL 118 Cb 0.68 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 1b2p n VAL 118 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40