#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l5p s THR 2 N 0.00 0.04 0.17 2.61 -4.23 -1.26 0.19 115.64 113.16 1l5p s THR 2 Ca 0.00 -0.36 0.06 0.00 -1.18 0.00 0.00 61.69 60.21 1l5p s THR 2 Cb 0.00 -0.24 -0.05 0.00 1.34 0.00 0.00 72.50 73.55 1l5p s THR 2 CO 0.00 -0.20 -0.12 0.27 -0.54 0.00 0.00 174.62 174.03 1l5p s ILE 3 N -0.63 1.44 -0.17 2.99 -5.25 -0.12 0.01 121.20 119.46 1l5p s ILE 3 Ca -0.07 -2.12 -0.03 0.00 -0.99 0.00 0.00 60.65 57.44 1l5p s ILE 3 Cb -0.04 -1.93 -0.02 0.00 2.95 0.00 0.00 42.46 43.42 1l5p s ILE 3 CO 0.00 -0.67 -0.05 -0.89 -1.79 0.00 0.00 174.94 171.54 1l5p s THR 4 N -3.13 3.57 -0.08 8.37 2.01 -0.11 -0.66 115.64 125.62 1l5p s THR 4 Ca 0.19 -0.46 -0.03 0.00 0.31 0.00 0.00 61.69 61.70 1l5p s THR 4 Cb 0.01 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 1l5p s THR 4 CO 0.03 0.47 0.05 0.00 -0.69 0.00 0.00 174.62 174.49 1l5p s ALA 5 N 0.73 3.49 -0.25 7.40 0.00 -0.48 -0.30 121.76 132.36 1l5p s ALA 5 Ca -0.02 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.17 1l5p s ALA 5 Cb -0.15 -1.63 0.07 0.00 0.00 0.00 0.00 23.12 21.41 1l5p s ALA 5 CO 0.02 0.61 -0.04 0.08 0.00 0.00 0.00 175.76 176.44 1l5p s VAL 6 N -0.97 1.55 -0.10 0.00 1.01 0.50 -0.53 120.40 121.86 1l5p s VAL 6 Ca 0.15 -1.32 0.04 0.00 0.00 0.00 0.00 61.98 60.86 1l5p s VAL 6 Cb -0.12 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 1l5p s VAL 6 CO 0.04 -0.17 -0.24 -0.75 0.00 0.00 0.00 175.10 173.98 1l5p s LYS 7 N 1.37 2.99 -1.35 2.72 2.20 -0.73 -0.87 119.74 126.07 1l5p s LYS 7 Ca -0.04 -0.88 -0.01 0.00 -0.36 0.00 0.00 55.97 54.69 1l5p s LYS 7 Cb -0.19 -2.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.86 1l5p s LYS 7 CO -0.07 0.20 0.62 0.41 -0.36 0.00 0.00 175.35 176.15 1l5p n GLY 8 N 3.46 -0.28 3.88 5.54 0.00 -1.26 -1.17 105.19 115.37 1l5p n GLY 8 Ca -0.19 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1l5p n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l5p n GLY 9 N -1.70 0.38 3.59 -0.02 0.00 -1.26 -4.95 105.19 101.23 1l5p n GLY 9 Ca -0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 1l5p n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1l5p s VAL 10 N -1.76 4.72 0.18 1.61 0.11 -0.31 -5.08 120.40 119.88 1l5p s VAL 10 Ca 0.00 -0.05 -0.25 0.00 -2.93 0.00 0.00 61.98 58.75 1l5p s VAL 10 Cb 0.00 -3.16 -0.08 0.00 -1.53 0.00 0.00 36.38 31.61 1l5p s VAL 10 CO 0.00 0.41 0.79 -0.54 -3.33 0.00 0.00 175.10 172.44 1l5p s LYS 11 N 0.78 4.57 -0.15 1.54 1.02 -1.26 -1.77 119.74 124.47 1l5p s LYS 11 Ca 0.04 1.17 -0.04 0.00 0.02 0.00 0.00 55.97 57.16 1l5p s LYS 11 Cb -0.13 -3.22 0.06 0.00 -0.52 0.00 0.00 37.83 34.02 1l5p s LYS 11 CO 0.02 0.54 0.14 0.15 -0.92 0.00 0.00 175.35 175.28 1l5p s LYS 12 N -1.25 0.08 0.04 1.68 3.01 0.30 -5.00 119.74 118.60 1l5p s LYS 12 Ca 0.37 0.20 -0.30 0.00 -1.01 0.00 0.00 55.97 55.23 1l5p s LYS 12 Cb -0.23 -1.15 -0.05 0.00 -1.01 0.00 0.00 37.83 35.39 1l5p s LYS 12 CO 0.26 -0.55 1.22 -0.65 0.51 0.00 0.00 175.35 176.14 1l5p s GLN 13 N 2.23 4.40 0.00 1.68 -1.52 -1.26 -1.38 119.66 123.82 1l5p s GLN 13 Ca 0.04 1.77 0.06 0.00 -1.95 0.00 0.00 55.36 55.28 1l5p s GLN 13 Cb -0.15 -3.40 -0.02 0.00 -0.22 0.00 0.00 33.01 29.23 1l5p s GLN 13 CO -0.08 -0.32 -0.20 -0.51 -0.25 0.00 0.00 175.29 173.93 1l5p s LEU 14 N 1.37 2.07 0.08 2.90 1.43 0.17 -4.98 118.68 121.73 1l5p s LEU 14 Ca 0.59 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 53.18 1l5p s LEU 14 Cb -0.29 -1.00 -0.06 0.00 0.03 0.00 0.00 46.19 44.88 1l5p s LEU 14 CO 0.28 0.22 0.42 -0.54 0.23 0.00 0.00 176.35 176.96 1l5p s LYS 15 N -0.65 3.80 0.11 1.70 1.02 -1.26 -0.95 119.74 123.52 1l5p s LYS 15 Ca 0.07 0.24 0.06 0.00 0.02 0.00 0.00 55.97 56.36 1l5p s LYS 15 Cb -0.08 -3.01 -0.04 0.00 -0.52 0.00 0.00 37.83 34.19 1l5p s LYS 15 CO -0.00 0.56 -0.15 -0.59 -0.92 0.00 0.00 175.35 174.25 1l5p s PHE 16 N -1.38 1.42 -0.14 3.18 -0.12 0.13 -4.94 117.98 116.15 1l5p s PHE 16 Ca 0.33 -0.51 -0.03 0.00 -0.05 0.00 0.00 56.93 56.67 1l5p s PHE 16 Cb -0.14 -0.76 -0.03 0.00 -0.63 0.00 0.00 43.02 41.46 1l5p s PHE 16 CO 0.18 0.14 -0.03 -1.21 -0.05 0.00 0.00 175.22 174.24 1l5p s GLU 17 N -2.36 3.48 0.34 1.99 2.02 -1.26 -1.74 118.70 121.16 1l5p s GLU 17 Ca 0.06 -0.50 -0.24 0.00 0.02 0.00 0.00 54.97 54.31 1l5p s GLU 17 Cb -0.07 -2.87 -0.15 0.00 0.10 0.00 0.00 34.13 31.14 1l5p s GLU 17 CO 0.03 0.36 0.40 -0.25 0.02 0.00 0.00 175.26 175.82 1l5p n ASP 18 N 3.18 -1.60 0.00 -0.19 10.43 -1.26 -1.43 116.55 125.68 1l5p n ASP 18 Ca -0.18 0.96 0.00 0.00 2.57 0.00 0.00 54.79 58.14 1l5p n ASP 18 Cb 0.53 -0.99 0.00 0.00 1.84 0.00 0.00 41.12 42.50 1l5p n ASP 18 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1l5p n ASP 19 N 1.90 -2.39 -4.84 -2.24 10.43 0.77 -5.00 116.55 115.17 1l5p n ASP 19 Ca 0.13 0.00 -0.36 0.00 2.57 0.00 0.00 54.79 57.14 1l5p n ASP 19 Cb 0.35 -0.97 -0.06 0.00 1.84 0.00 0.00 41.12 42.28 1l5p n ASP 19 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1l5p s GLN 20 N -0.38 4.02 0.29 -1.24 -0.21 -0.51 -4.78 119.66 116.86 1l5p s GLN 20 Ca 0.00 0.55 -0.07 0.00 0.02 0.00 0.00 55.36 55.86 1l5p s GLN 20 Cb 0.00 -2.96 -0.06 0.00 1.00 0.00 0.00 33.01 30.99 1l5p s GLN 20 CO 0.00 0.49 0.59 0.95 -2.12 0.00 0.00 175.29 175.20 1l5p s THR 21 N -1.44 4.95 0.47 -0.19 -4.23 -1.26 0.98 115.64 114.93 1l5p s THR 21 Ca 0.37 0.29 0.13 0.00 -1.18 0.00 0.00 61.69 61.30 1l5p s THR 21 Cb -0.16 -3.70 0.28 0.00 1.34 0.00 0.00 72.50 70.27 1l5p s THR 21 CO 0.19 -0.28 2.08 0.25 -0.54 0.00 0.00 174.62 176.32 1l5p h LEU 22 N 1.86 0.23 -0.26 4.79 5.85 -1.00 -1.26 115.31 125.52 1l5p h LEU 22 Ca -0.47 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 1l5p h LEU 22 Cb 1.18 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1l5p h LEU 22 CO 0.67 0.16 0.14 0.15 -0.34 0.00 0.00 178.44 179.22 1l5p h PHE 23 N 0.27 0.35 0.21 1.25 3.57 -1.69 0.36 116.94 121.26 1l5p h PHE 23 Ca 0.11 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1l5p h PHE 23 Cb 0.11 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1l5p h PHE 23 CO -0.00 0.30 -0.17 1.15 -2.23 0.00 0.00 178.31 177.35 1l5p h THR 24 N 0.30 0.62 -0.74 4.41 2.02 -1.58 0.29 112.91 118.24 1l5p h THR 24 Ca 0.09 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.23 1l5p h THR 24 Cb 0.06 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 1l5p h THR 24 CO -0.01 0.00 0.31 -0.37 0.37 0.00 0.00 175.52 175.82 1l5p h VAL 25 N -0.40 1.25 -0.10 3.16 -1.51 -1.16 0.34 116.25 117.83 1l5p h VAL 25 Ca -0.01 -0.76 -0.03 0.00 -1.23 0.00 0.00 66.70 64.68 1l5p h VAL 25 Cb 0.36 0.37 -0.00 0.00 -2.13 0.00 0.00 31.29 29.89 1l5p h VAL 25 CO -0.02 0.31 -0.05 -0.07 -1.23 0.00 0.00 177.57 176.50 1l5p h LEU 26 N 1.05 0.22 -0.61 4.19 3.38 -0.08 -3.01 115.31 120.44 1l5p h LEU 26 Ca 0.25 -0.42 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 1l5p h LEU 26 Cb 0.19 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1l5p h LEU 26 CO -0.02 0.59 0.04 0.00 0.09 0.00 0.00 178.44 179.14 1l5p h THR 27 N -0.15 1.26 0.00 0.22 1.03 -0.36 -2.35 112.91 112.57 1l5p h THR 27 Ca 0.02 -1.10 0.00 0.00 -0.01 0.00 0.00 66.41 65.32 1l5p h THR 27 Cb 0.51 0.76 0.00 0.00 -1.07 0.00 0.00 68.15 68.36 1l5p h THR 27 CO 0.02 0.40 0.00 -0.62 -0.01 0.00 0.00 175.52 175.31 1l5p n GLU 28 N -4.22 0.26 -0.05 0.00 1.02 0.10 -2.25 120.64 115.51 1l5p n GLU 28 Ca 0.03 0.12 0.04 0.00 -0.02 0.00 0.00 57.16 57.33 1l5p n GLU 28 Cb 0.32 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.30 1l5p n GLU 28 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1l5p n ALA 29 N -1.26 2.34 -0.95 0.62 0.00 -0.99 -4.99 120.51 115.29 1l5p n ALA 29 Ca 0.08 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1l5p n ALA 29 Cb 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.31 1l5p n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1l5p n GLY 30 N 0.31 0.86 0.18 0.00 0.00 -0.95 -4.87 105.19 100.71 1l5p n GLY 30 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 1l5p n GLY 30 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1l5p h LEU 31 N 0.00 0.00 -7.66 0.99 3.38 -1.68 -3.45 115.31 106.89 1l5p h LEU 31 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 1l5p h LEU 31 Cb 0.01 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.45 1l5p h LEU 31 CO 0.00 0.27 -0.73 -0.32 0.09 0.00 0.00 178.44 177.75 1l5p s MET 32 N -3.08 0.10 0.14 1.13 0.00 -1.10 -4.97 119.30 111.52 1l5p s MET 32 Ca 0.05 0.05 -0.19 0.00 0.00 0.00 0.00 55.69 55.60 1l5p s MET 32 Cb 0.06 -0.22 -0.07 0.00 0.00 0.00 0.00 34.83 34.60 1l5p s MET 32 CO 0.71 -0.06 0.63 -1.54 0.00 0.00 0.00 175.02 174.76 1l5p s SER 33 N 0.51 7.06 0.00 1.11 1.04 -1.26 -3.72 113.70 118.44 1l5p s SER 33 Ca -0.05 1.32 0.20 0.00 0.48 0.00 0.00 55.95 57.90 1l5p s SER 33 Cb -0.07 -2.38 0.44 0.00 0.10 0.00 0.00 66.02 64.12 1l5p s SER 33 CO -0.01 0.17 1.37 0.00 0.98 0.00 0.00 173.24 175.75 1l5p n ALA 34 N 1.26 2.36 -1.79 5.32 0.00 -1.26 -4.92 120.51 121.48 1l5p n ALA 34 Ca -0.07 -1.09 -0.40 0.00 0.00 0.00 0.00 53.44 51.88 1l5p n ALA 34 Cb 0.51 -0.76 -0.06 0.00 0.00 0.00 0.00 19.45 19.14 1l5p n ALA 34 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1l5p s ASP 35 N -1.19 7.59 -1.05 0.00 -4.77 -1.26 -3.24 116.67 112.75 1l5p s ASP 35 Ca 0.37 1.98 0.00 0.00 -3.30 0.00 0.00 52.55 51.60 1l5p s ASP 35 Cb 0.20 -2.61 0.00 0.00 -1.09 0.00 0.00 42.92 39.42 1l5p s ASP 35 CO 0.28 0.11 0.00 0.47 0.70 0.00 0.00 175.17 176.72 1l5p n ASP 36 N 1.55 -4.90 -4.67 2.11 8.00 -1.26 -4.98 116.55 112.40 1l5p n ASP 36 Ca -0.02 0.25 -0.23 0.00 0.71 0.00 0.00 54.79 55.50 1l5p n ASP 36 Cb 0.47 -3.27 -0.07 0.00 -0.02 0.00 0.00 41.12 38.23 1l5p n ASP 36 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1l5p s THR 37 N -2.13 3.57 -1.55 -3.53 -4.23 -1.20 -4.98 115.64 101.59 1l5p s THR 37 Ca 0.00 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 1l5p s THR 37 Cb 0.00 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.93 1l5p s THR 37 CO 0.00 -0.37 0.57 0.00 -0.54 0.00 0.00 174.62 174.28 1l5p n GLN 39 N -0.21 -5.47 -2.79 0.00 1.13 -1.26 -3.17 117.38 105.60 1l5p n GLN 39 Ca 0.00 0.71 -0.09 0.00 -1.94 0.00 0.00 57.00 55.68 1l5p n GLN 39 Cb 0.08 -5.45 0.03 0.00 0.11 0.00 0.00 30.24 25.01 1l5p n GLN 39 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1l5p n GLY 40 N -1.39 0.30 0.85 1.08 0.00 -1.26 -4.96 105.19 99.81 1l5p n GLY 40 Ca -0.29 -0.35 0.07 0.00 0.00 0.00 0.00 46.02 45.45 1l5p n GLY 40 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1l5p n ASN 41 N -0.15 3.43 -3.87 1.61 3.02 -1.19 -4.93 115.26 113.17 1l5p n ASN 41 Ca -0.01 -2.31 -0.28 0.00 -0.03 0.00 0.00 54.58 51.95 1l5p n ASN 41 Cb 0.53 -0.36 0.03 0.00 -0.61 0.00 0.00 39.78 39.37 1l5p n ASN 41 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1l5p n LYS 42 N 0.39 -5.27 0.00 3.52 5.02 -1.26 -4.85 118.16 115.70 1l5p n LYS 42 Ca 0.16 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 1l5p n LYS 42 Cb 0.61 -5.37 0.00 0.00 -0.02 0.00 0.00 35.03 30.25 1l5p n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1l5p n ALA 43 N -4.57 1.22 -0.06 7.82 0.00 -1.26 -4.86 120.51 118.80 1l5p n ALA 43 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.30 1l5p n ALA 43 Cb 0.57 0.07 -0.15 0.00 0.00 0.00 0.00 19.45 19.94 1l5p n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l5p n GLY 45 N 1.64 -0.05 0.01 0.00 0.00 -1.26 -4.93 105.19 100.58 1l5p n GLY 45 Ca -0.24 -0.37 0.10 0.00 0.00 0.00 0.00 46.02 45.51 1l5p n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1l5p n LYS 46 N -2.23 0.55 -0.53 1.61 5.02 -1.26 -4.49 118.16 116.84 1l5p n LYS 46 Ca -0.11 -0.14 -0.04 0.00 -2.02 0.00 0.00 58.31 55.99 1l5p n LYS 46 Cb 0.59 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 34.13 1l5p n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1l5p s ILE 48 N -0.59 2.84 0.31 0.00 1.01 -1.26 -1.04 121.20 122.47 1l5p s ILE 48 Ca 0.08 0.74 -0.03 0.00 0.00 0.00 0.00 60.65 61.44 1l5p s ILE 48 Cb 0.07 -3.47 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 1l5p s ILE 48 CO 0.00 0.13 0.42 0.00 0.00 0.00 0.00 174.94 175.49 1l5p s LYS 50 N -3.34 2.60 -0.56 0.00 3.01 0.52 -1.20 119.74 120.77 1l5p s LYS 50 Ca 0.31 -0.69 -0.27 0.00 -1.01 0.00 0.00 55.97 54.32 1l5p s LYS 50 Cb 0.01 -2.24 0.03 0.00 -1.01 0.00 0.00 37.83 34.62 1l5p s LYS 50 CO 0.19 -0.15 1.09 -1.58 0.51 0.00 0.00 175.35 175.42 1l5p s HIS 51 N 1.19 2.69 -0.21 3.18 5.65 -0.58 0.17 115.29 127.38 1l5p s HIS 51 Ca -0.00 0.28 0.15 0.00 0.25 0.00 0.00 55.06 55.74 1l5p s HIS 51 Cb -0.14 -4.34 -0.21 0.00 -1.18 0.00 0.00 32.58 26.71 1l5p s HIS 51 CO -0.07 -1.48 0.41 1.33 -0.65 0.00 0.00 174.74 174.29 1l5p n VAL 52 N 6.51 0.00 -3.53 0.89 0.24 -0.22 -4.91 118.33 117.31 1l5p n VAL 52 Ca 0.06 -0.29 -0.12 0.00 -2.04 0.00 0.00 64.34 61.95 1l5p n VAL 52 Cb 0.48 0.39 -0.03 0.00 -1.47 0.00 0.00 33.84 33.21 1l5p n VAL 52 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1l5p s SER 53 N -3.36 -0.42 0.00 -1.34 0.15 -0.99 -4.94 113.70 102.79 1l5p s SER 53 Ca -0.02 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1l5p s SER 53 Cb 0.10 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 1l5p s SER 53 CO 0.62 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1l5p n GLY 54 N -0.21 -1.73 3.68 9.45 0.00 -1.26 -1.44 105.19 113.69 1l5p n GLY 54 Ca -0.17 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 1l5p n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1l5p s LYS 55 N -2.17 4.39 -0.09 1.61 1.02 -1.26 -4.92 119.74 118.32 1l5p s LYS 55 Ca 0.00 1.31 -0.04 0.00 0.02 0.00 0.00 55.97 57.26 1l5p s LYS 55 Cb 0.00 -3.55 0.05 0.00 -0.52 0.00 0.00 37.83 33.81 1l5p s LYS 55 CO 0.00 -0.32 0.20 0.08 -0.92 0.00 0.00 175.35 174.39 1l5p s VAL 56 N 2.04 -0.17 0.27 3.17 1.01 -1.26 -4.27 120.40 121.19 1l5p s VAL 56 Ca 0.46 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 62.38 1l5p s VAL 56 Cb -0.18 -0.33 -0.14 0.00 0.00 0.00 0.00 36.38 35.73 1l5p s VAL 56 CO 0.16 0.10 1.14 0.00 0.00 0.00 0.00 175.10 176.51 1l5p n ALA 57 N 4.72 0.13 -1.63 5.51 0.00 -1.26 -4.89 120.51 123.09 1l5p n ALA 57 Ca -0.17 0.40 -0.39 0.00 0.00 0.00 0.00 53.44 53.29 1l5p n ALA 57 Cb 0.51 -2.10 0.04 0.00 0.00 0.00 0.00 19.45 17.90 1l5p n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l5p n ALA 58 N 0.73 0.35 -1.77 0.00 0.00 -1.26 -4.92 120.51 113.65 1l5p n ALA 58 Ca 0.10 0.07 -0.39 0.00 0.00 0.00 0.00 53.44 53.22 1l5p n ALA 58 Cb 0.31 -2.13 -0.02 0.00 0.00 0.00 0.00 19.45 17.61 1l5p n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l5p s ALA 59 N -1.44 3.28 0.63 0.00 0.00 -1.26 -5.03 121.76 117.94 1l5p s ALA 59 Ca 0.72 1.08 -0.08 0.00 0.00 0.00 0.00 51.96 53.68 1l5p s ALA 59 Cb -0.45 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.27 1l5p s ALA 59 CO 0.50 -0.58 0.97 -2.00 0.00 0.00 0.00 175.76 174.65 1l5p s GLU 60 N -2.08 2.89 0.32 0.00 2.12 -1.26 -4.82 118.70 115.87 1l5p s GLU 60 Ca 0.54 0.15 0.05 0.00 0.36 0.00 0.00 54.97 56.07 1l5p s GLU 60 Cb -0.34 -2.19 0.68 0.00 0.26 0.00 0.00 34.13 32.54 1l5p s GLU 60 CO 0.44 -0.82 1.86 -0.44 -0.54 0.00 0.00 175.26 175.76 1l5p h ASP 61 N -0.34 0.80 -0.73 -1.70 3.32 -1.98 -0.78 116.42 115.01 1l5p h ASP 61 Ca -0.45 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.60 1l5p h ASP 61 Cb 1.26 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 1l5p h ASP 61 CO 0.62 0.42 0.29 -2.24 -1.72 0.00 0.00 179.24 176.61 1l5p h ASP 62 N 0.85 1.01 -0.12 6.45 -0.00 -2.01 -2.43 116.42 120.18 1l5p h ASP 62 Ca 0.46 -0.15 -0.05 0.00 -0.00 0.00 0.00 57.03 57.30 1l5p h ASP 62 Cb 0.57 -0.26 -0.00 0.00 -0.00 0.00 0.00 39.33 39.64 1l5p h ASP 62 CO -0.23 0.90 -0.11 -0.08 -0.00 0.00 0.00 179.24 179.72 1l5p h GLU 63 N 1.07 0.28 -0.60 4.15 4.81 -1.66 -3.07 114.58 119.56 1l5p h GLU 63 Ca 0.25 -0.14 0.17 0.00 -0.13 0.00 0.00 59.36 59.51 1l5p h GLU 63 Cb 0.21 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1l5p h GLU 63 CO -0.02 0.68 0.56 0.87 -0.73 0.00 0.00 179.01 180.36 1l5p h LYS 64 N -0.12 0.00 -0.59 1.92 1.57 -0.98 0.24 116.57 118.60 1l5p h LYS 64 Ca 0.02 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1l5p h LYS 64 Cb 0.62 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 1l5p h LYS 64 CO 0.03 0.00 0.21 0.93 -0.57 0.00 0.00 179.45 180.05 1l5p h GLU 65 N 0.00 0.88 -0.00 3.15 5.08 -1.33 -2.48 114.58 119.87 1l5p h GLU 65 Ca 0.28 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1l5p h GLU 65 Cb 1.39 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1l5p h GLU 65 CO -0.00 0.74 -0.19 1.19 -1.00 0.00 0.00 179.01 179.74 1l5p n PHE 66 N -4.30 0.00 0.33 4.33 3.01 0.82 -3.84 117.46 117.81 1l5p n PHE 66 Ca 0.05 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.60 1l5p n PHE 66 Cb 0.19 -0.37 0.15 0.00 -0.01 0.00 0.00 39.48 39.43 1l5p n PHE 66 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1l5p n LEU 67 N -1.43 2.93 -0.23 4.37 4.77 -0.95 -4.63 117.00 121.83 1l5p n LEU 67 Ca 0.07 -1.41 -0.03 0.00 -0.03 0.00 0.00 56.01 54.62 1l5p n LEU 67 Cb 0.33 -0.16 0.08 0.00 -2.33 0.00 0.00 43.42 41.34 1l5p n LEU 67 CO 0.29 0.62 1.12 -0.33 -1.33 0.00 0.00 177.39 177.76 1l5p h GLU 68 N 3.49 0.75 -0.64 3.23 5.08 -1.63 -2.32 114.58 122.54 1l5p h GLU 68 Ca 0.00 -0.05 -0.25 0.00 -1.00 0.00 0.00 59.36 58.06 1l5p h GLU 68 Cb 0.81 -0.17 -0.15 0.00 0.50 0.00 0.00 28.75 29.74 1l5p h GLU 68 CO 0.00 0.50 0.24 -0.40 -1.00 0.00 0.00 179.01 178.34 1l5p n ASP 69 N -4.72 3.81 -4.67 1.42 3.85 -1.26 -4.96 116.55 110.02 1l5p n ASP 69 Ca 0.07 -3.44 -0.23 0.00 -0.71 0.00 0.00 54.79 50.48 1l5p n ASP 69 Cb 0.11 -0.71 -0.07 0.00 -1.35 0.00 0.00 41.12 39.10 1l5p n ASP 69 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 1l5p s GLN 70 N -3.12 2.27 0.61 0.11 -1.52 -0.87 -5.10 119.66 112.05 1l5p s GLN 70 Ca 0.51 -1.53 -0.18 0.00 -1.95 0.00 0.00 55.36 52.21 1l5p s GLN 70 Cb 0.43 -2.12 -0.05 0.00 -0.22 0.00 0.00 33.01 31.05 1l5p s GLN 70 CO 0.09 0.23 0.89 -2.30 -0.25 0.00 0.00 175.29 173.95 1l5p n PRO 71 N -0.99 0.77 0.01 2.91 -0.02 -1.26 -4.84 135.00 131.59 1l5p n PRO 71 Ca -0.05 0.31 0.23 0.00 -2.02 0.00 0.00 63.50 61.96 1l5p n PRO 71 Cb 0.60 -2.10 0.72 0.00 -0.02 0.00 0.00 33.50 32.71 1l5p n PRO 71 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1l5p h ALA 72 N 0.33 2.34 -0.47 3.55 0.00 -1.98 -0.25 119.26 122.79 1l5p h ALA 72 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1l5p h ALA 72 Cb 1.37 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1l5p h ALA 72 CO 0.50 -0.83 0.00 0.27 0.00 0.00 0.00 179.25 179.19 1l5p n ASN 73 N -3.81 4.00 -4.78 0.00 6.94 -1.26 -5.00 115.26 111.35 1l5p n ASN 73 Ca 0.11 -2.45 -0.37 0.00 -0.02 0.00 0.00 54.58 51.85 1l5p n ASN 73 Cb 0.75 -0.47 -0.05 0.00 -2.36 0.00 0.00 39.78 37.66 1l5p n ASN 73 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1l5p s ALA 74 N -1.82 3.15 0.07 -2.53 0.00 -0.11 -1.53 121.76 119.00 1l5p s ALA 74 Ca 0.41 0.65 -0.07 0.00 0.00 0.00 0.00 51.96 52.95 1l5p s ALA 74 Cb 0.27 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.14 1l5p s ALA 74 CO 0.18 -0.07 0.13 1.03 0.00 0.00 0.00 175.76 177.04 1l5p s ARG 75 N -2.28 0.77 -0.26 0.00 1.81 -0.34 -4.90 118.95 113.75 1l5p s ARG 75 Ca 0.54 -0.99 -0.18 0.00 -1.72 0.00 0.00 55.73 53.38 1l5p s ARG 75 Cb -0.21 0.30 -0.03 0.00 -0.45 0.00 0.00 34.95 34.56 1l5p s ARG 75 CO 0.27 -0.22 0.52 -0.51 -0.68 0.00 0.00 175.30 174.68 1l5p s LEU 76 N -2.79 4.05 0.36 2.53 1.43 -1.26 -1.57 118.68 121.43 1l5p s LEU 76 Ca 0.04 0.53 0.08 0.00 -1.03 0.00 0.00 54.13 53.75 1l5p s LEU 76 Cb 0.05 -2.67 0.80 0.00 0.03 0.00 0.00 46.19 44.40 1l5p s LEU 76 CO -0.10 -0.29 1.90 0.00 0.23 0.00 0.00 176.35 178.09 1l5p h ALA 77 N 8.01 1.81 0.00 4.21 0.00 -1.44 -0.90 119.26 130.95 1l5p h ALA 77 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1l5p h ALA 77 Cb 1.14 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1l5p h ALA 77 CO 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.96 1l5p n ALA 79 N -1.72 3.17 -2.60 0.00 0.00 -0.35 -4.76 120.51 114.25 1l5p n ALA 79 Ca 0.04 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.66 1l5p n ALA 79 Cb 0.30 -1.12 -0.11 0.00 0.00 0.00 0.00 19.45 18.53 1l5p n ALA 79 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1l5p s ILE 80 N -2.57 5.03 -0.36 0.00 1.01 -1.06 -5.03 121.20 118.23 1l5p s ILE 80 Ca 0.22 -0.63 -0.15 0.00 0.00 0.00 0.00 60.65 60.09 1l5p s ILE 80 Cb 0.19 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 1l5p s ILE 80 CO 0.55 -0.22 0.35 -0.89 0.00 0.00 0.00 174.94 174.72 1l5p s THR 81 N 1.65 5.19 0.25 2.92 2.01 -1.26 -1.37 115.64 125.02 1l5p s THR 81 Ca 0.04 -0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.62 1l5p s THR 81 Cb -0.19 -3.84 -0.09 0.00 0.01 0.00 0.00 72.50 68.39 1l5p s THR 81 CO 0.09 -0.15 1.14 -0.76 -0.69 0.00 0.00 174.62 174.25 1l5p s LEU 82 N 1.95 4.51 0.30 4.42 1.43 0.28 -4.86 118.68 126.71 1l5p s LEU 82 Ca 0.10 2.26 -0.03 0.00 -1.03 0.00 0.00 54.13 55.43 1l5p s LEU 82 Cb -0.17 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.42 1l5p s LEU 82 CO 0.12 -0.23 0.39 -0.94 0.23 0.00 0.00 176.35 175.91 1l5p s SER 83 N -0.50 0.68 0.43 2.29 1.04 -1.26 -0.17 113.70 116.22 1l5p s SER 83 Ca 0.47 -1.40 0.21 0.00 0.48 0.00 0.00 55.95 55.72 1l5p s SER 83 Cb -0.32 0.58 1.17 0.00 0.10 0.00 0.00 66.02 67.55 1l5p s SER 83 CO 0.40 -1.15 1.82 1.23 0.98 0.00 0.00 173.24 176.52 1l5p h GLY 84 N 2.24 0.84 2.00 7.32 0.00 -1.98 0.12 103.07 113.60 1l5p h GLY 84 Ca -0.29 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1l5p h GLY 84 CO 0.40 -0.05 -0.01 -2.09 0.00 0.00 0.00 176.54 174.79 1l5p h GLU 85 N 0.33 0.00 -0.10 4.80 4.81 -1.96 -1.49 114.58 120.96 1l5p h GLU 85 Ca 0.52 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 1l5p h GLU 85 Cb 1.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.83 1l5p h GLU 85 CO -0.19 0.01 0.00 0.09 -0.73 0.00 0.00 179.01 178.19 1l5p n ASN 86 N -3.33 1.92 -4.64 1.04 4.13 0.41 -4.49 115.26 110.31 1l5p n ASN 86 Ca -0.03 -1.68 -0.42 0.00 1.68 0.00 0.00 54.58 54.13 1l5p n ASN 86 Cb 0.11 -0.06 -0.03 0.00 -1.54 0.00 0.00 39.78 38.26 1l5p n ASN 86 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1l5p n ASP 87 N 0.49 3.89 0.00 6.41 -0.08 -0.57 -1.26 116.55 125.44 1l5p n ASP 87 Ca 0.17 0.68 0.00 0.00 -1.51 0.00 0.00 54.79 54.13 1l5p n ASP 87 Cb 0.40 -1.54 0.00 0.00 2.34 0.00 0.00 41.12 42.32 1l5p n ASP 87 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1l5p n GLY 88 N 4.95 0.44 3.76 0.27 0.00 0.10 -4.94 105.19 109.76 1l5p n GLY 88 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 1l5p n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l5p s ALA 89 N -2.00 2.84 -0.10 4.61 0.00 -0.39 -4.61 121.76 122.12 1l5p s ALA 89 Ca 0.00 1.19 0.04 0.00 0.00 0.00 0.00 51.96 53.19 1l5p s ALA 89 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1l5p s ALA 89 CO 0.00 -1.15 -0.22 0.08 0.00 0.00 0.00 175.76 174.47 1l5p s VAL 90 N -1.39 1.91 0.02 0.00 1.01 -0.52 -0.93 120.40 120.49 1l5p s VAL 90 Ca 0.70 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.81 1l5p s VAL 90 Cb -0.36 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 1l5p s VAL 90 CO 0.43 0.53 -0.19 -0.36 0.00 0.00 0.00 175.10 175.50 1l5p s PHE 91 N 0.45 1.72 -0.15 5.22 0.40 0.58 -1.06 117.98 125.14 1l5p s PHE 91 Ca -0.17 -0.35 -0.03 0.00 -0.60 0.00 0.00 56.93 55.78 1l5p s PHE 91 Cb -0.17 -1.06 -0.03 0.00 0.51 0.00 0.00 43.02 42.27 1l5p s PHE 91 CO 0.07 0.03 -0.05 -1.21 0.70 0.00 0.00 175.22 174.77 1l5p s GLU 92 N -0.85 3.57 0.00 0.44 2.02 0.13 -0.37 118.70 123.63 1l5p s GLU 92 Ca 0.07 -0.53 0.26 0.00 0.02 0.00 0.00 54.97 54.78 1l5p s GLU 92 Cb -0.08 -2.86 0.52 0.00 0.10 0.00 0.00 34.13 31.81 1l5p s GLU 92 CO 0.01 0.28 1.45 1.28 0.02 0.00 0.00 175.26 178.30