#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d1p s LEU 2 N 0.00 4.14 -0.15 3.17 2.96 -0.54 -2.72 118.68 125.54 2d1p s LEU 2 Ca 0.00 0.46 -0.08 0.00 -0.22 0.00 0.00 54.13 54.29 2d1p s LEU 2 Cb 0.00 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 2d1p s LEU 2 CO 0.00 -0.08 0.14 -1.00 -1.32 0.00 0.00 176.35 174.09 2d1p s HIS 3 N 1.38 3.52 -0.10 5.38 3.76 0.10 -1.00 115.29 128.34 2d1p s HIS 3 Ca 0.18 0.46 0.04 0.00 -0.15 0.00 0.00 55.06 55.58 2d1p s HIS 3 Cb -0.15 -2.04 0.00 0.00 1.11 0.00 0.00 32.58 31.51 2d1p s HIS 3 CO 0.08 0.55 -0.24 0.99 -0.85 0.00 0.00 174.74 175.28 2d1p s THR 4 N -0.46 2.09 -0.25 1.30 2.01 -0.24 0.19 115.64 120.28 2d1p s THR 4 Ca 0.12 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 61.13 2d1p s THR 4 Cb -0.12 -1.79 0.06 0.00 0.01 0.00 0.00 72.50 70.66 2d1p s THR 4 CO 0.02 0.56 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.23 2d1p s LEU 5 N 0.36 2.91 0.00 4.42 2.96 -0.50 0.85 118.68 129.68 2d1p s LEU 5 Ca -0.18 -1.31 0.20 0.00 -0.22 0.00 0.00 54.13 52.62 2d1p s LEU 5 Cb -0.18 -1.29 0.01 0.00 0.50 0.00 0.00 46.19 45.24 2d1p s LEU 5 CO 0.08 -0.24 1.02 0.00 -1.32 0.00 0.00 176.35 175.89 2d1p n HIS 6 N 4.59 0.00 -4.24 5.38 1.44 -1.26 -1.85 115.22 119.28 2d1p n HIS 6 Ca -0.11 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.37 2d1p n HIS 6 Cb 0.43 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.47 2d1p n HIS 6 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2d1p s ARG 7 N -2.20 2.33 0.30 -1.40 0.52 -1.26 -2.26 118.95 114.97 2d1p s ARG 7 Ca 0.17 -1.46 -0.30 0.00 -0.52 0.00 0.00 55.73 53.63 2d1p s ARG 7 Cb 0.16 -2.17 -0.12 0.00 0.52 0.00 0.00 34.95 33.35 2d1p s ARG 7 CO 0.48 0.28 1.50 0.45 0.02 0.00 0.00 175.30 178.03 2d1p n SER 8 N -0.98 3.46 0.32 0.23 2.88 -1.25 -3.42 113.62 114.86 2d1p n SER 8 Ca -0.05 1.16 0.21 0.00 -1.33 0.00 0.00 58.87 58.86 2d1p n SER 8 Cb 0.60 -1.55 1.07 0.00 -0.75 0.00 0.00 64.21 63.58 2d1p n SER 8 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2d1p h PRO 9 N 4.13 0.00 0.00 -1.46 0.13 -1.87 -0.63 132.00 132.31 2d1p h PRO 9 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2d1p h PRO 9 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2d1p h PRO 9 CO 0.74 0.00 0.00 -1.49 -0.23 0.00 0.00 178.00 177.03 2d1p h TRP 10 N 0.00 0.00 -0.12 1.56 6.55 -1.98 -3.02 115.95 118.93 2d1p h TRP 10 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2d1p h TRP 10 Cb 0.14 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.44 2d1p h TRP 10 CO 0.00 0.00 0.00 1.28 -1.05 0.00 0.00 178.44 178.67 2d1p n LEU 11 N -2.40 2.99 -4.42 -4.49 4.77 -0.26 -5.00 117.00 108.18 2d1p n LEU 11 Ca 0.04 -2.93 -0.28 0.00 -0.03 0.00 0.00 56.01 52.81 2d1p n LEU 11 Cb 0.36 -0.44 -0.12 0.00 -2.33 0.00 0.00 43.42 40.89 2d1p n LEU 11 CO 0.27 0.68 -0.54 -0.89 -1.33 0.00 0.00 177.39 175.58 2d1p s THR 12 N -2.63 2.39 -1.26 -5.08 2.01 -1.10 -4.90 115.64 105.07 2d1p s THR 12 Ca 0.34 -1.83 -0.18 0.00 0.31 0.00 0.00 61.69 60.33 2d1p s THR 12 Cb 0.28 -2.10 0.08 0.00 0.01 0.00 0.00 72.50 70.77 2d1p s THR 12 CO 0.06 0.01 1.67 -0.62 -0.69 0.00 0.00 174.62 175.05 2d1p s ASP 13 N -2.32 6.83 0.29 3.53 -1.08 -1.26 -4.78 116.67 117.89 2d1p s ASP 13 Ca 0.17 -2.41 -0.03 0.00 -0.52 0.00 0.00 52.55 49.76 2d1p s ASP 13 Cb -0.09 -2.56 0.41 0.00 -1.46 0.00 0.00 42.92 39.22 2d1p s ASP 13 CO 0.08 -1.15 1.95 0.15 0.52 0.00 0.00 175.17 176.72 2d1p h PHE 14 N 7.75 1.06 -0.82 -5.34 3.57 -1.96 -2.20 116.94 119.01 2d1p h PHE 14 Ca 0.41 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.93 2d1p h PHE 14 Cb 0.89 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 2d1p h PHE 14 CO 1.38 0.69 0.53 0.00 -2.23 0.00 0.00 178.31 178.67 2d1p h ALA 15 N 1.45 1.04 -0.80 2.41 0.00 -1.97 -0.35 119.26 121.04 2d1p h ALA 15 Ca 0.30 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 2d1p h ALA 15 Cb -0.10 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.33 2d1p h ALA 15 CO -0.06 0.46 0.32 0.00 0.00 0.00 0.00 179.25 179.97 2d1p h ALA 16 N 1.29 1.03 -0.25 0.00 0.00 -1.83 -2.23 119.26 117.28 2d1p h ALA 16 Ca 0.30 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2d1p h ALA 16 Cb -0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 2d1p h ALA 16 CO -0.06 0.66 0.04 1.25 0.00 0.00 0.00 179.25 181.14 2d1p h LEU 17 N 1.16 0.39 -1.28 0.00 6.46 -0.80 -3.08 115.31 118.15 2d1p h LEU 17 Ca 0.27 -0.26 0.02 0.00 -0.12 0.00 0.00 57.88 57.79 2d1p h LEU 17 Cb 0.21 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.00 2d1p h LEU 17 CO -0.02 0.55 0.50 -0.07 -0.62 0.00 0.00 178.44 178.77 2d1p h LEU 18 N 0.22 0.83 -2.36 2.25 3.38 -0.90 -2.45 115.31 116.27 2d1p h LEU 18 Ca 0.07 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2d1p h LEU 18 Cb 0.32 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2d1p h LEU 18 CO 0.00 0.58 0.00 0.03 0.09 0.00 0.00 178.44 179.15 2d1p h ARG 19 N 0.97 0.00 -0.01 1.13 3.08 -1.31 -2.67 114.38 115.56 2d1p h ARG 19 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2d1p h ARG 19 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2d1p h ARG 19 CO -0.07 0.00 -0.54 1.28 -1.07 0.00 0.00 179.97 179.57 2d1p n LEU 20 N -2.96 1.11 -4.67 3.04 4.32 -0.92 -4.92 117.00 112.00 2d1p n LEU 20 Ca -0.02 -0.36 -0.43 0.00 -0.02 0.00 0.00 56.01 55.19 2d1p n LEU 20 Cb 0.13 -0.10 -0.02 0.00 -1.62 0.00 0.00 43.42 41.81 2d1p n LEU 20 CO 0.21 0.23 0.97 -0.76 -1.22 0.00 0.00 177.39 176.81 2d1p s LEU 21 N -2.74 4.21 0.14 2.23 1.43 -1.01 -5.03 118.68 117.90 2d1p s LEU 21 Ca 0.16 1.65 0.07 0.00 -1.03 0.00 0.00 54.13 54.97 2d1p s LEU 21 Cb 0.18 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 2d1p s LEU 21 CO 0.66 -0.64 -0.01 -0.44 0.23 0.00 0.00 176.35 176.14 2d1p s SER 22 N 1.54 4.79 0.32 2.29 0.01 -1.26 -4.92 113.70 116.46 2d1p s SER 22 Ca 0.52 -0.33 -0.29 0.00 1.31 0.00 0.00 55.95 57.16 2d1p s SER 22 Cb -0.21 -1.04 -0.12 0.00 0.21 0.00 0.00 66.02 64.86 2d1p s SER 22 CO 0.16 0.13 1.50 1.21 0.41 0.00 0.00 173.24 176.65 2d1p n GLU 23 N 0.20 2.54 0.00 12.44 2.13 -1.26 -1.05 120.64 135.65 2d1p n GLU 23 Ca -0.11 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.61 2d1p n GLU 23 Cb 0.54 -2.63 0.00 0.00 0.27 0.00 0.00 31.44 29.62 2d1p n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2d1p n GLY 24 N 1.50 3.29 3.86 8.31 0.00 -1.20 -5.02 105.19 115.93 2d1p n GLY 24 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2d1p n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2d1p s ASP 25 N -1.06 4.89 0.03 1.61 1.01 -0.21 -4.70 116.67 118.24 2d1p s ASP 25 Ca 0.00 1.09 0.01 0.00 0.71 0.00 0.00 52.55 54.36 2d1p s ASP 25 Cb 0.00 -1.79 -0.02 0.00 1.01 0.00 0.00 42.92 42.12 2d1p s ASP 25 CO 0.00 -1.69 -0.06 -1.61 0.21 0.00 0.00 175.17 172.02 2d1p s GLU 26 N -5.35 0.43 -0.14 8.23 2.02 -1.10 -3.56 118.70 119.23 2d1p s GLU 26 Ca 0.60 -0.59 0.01 0.00 0.02 0.00 0.00 54.97 55.01 2d1p s GLU 26 Cb -0.12 -0.20 -0.00 0.00 0.10 0.00 0.00 34.13 33.91 2d1p s GLU 26 CO 0.52 0.03 -0.18 -1.17 0.02 0.00 0.00 175.26 174.48 2d1p s LEU 27 N -1.25 2.34 -0.17 1.80 2.96 -0.60 0.02 118.68 123.79 2d1p s LEU 27 Ca -0.09 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 53.28 2d1p s LEU 27 Cb -0.08 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 2d1p s LEU 27 CO -0.00 0.11 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.89 2d1p s LEU 28 N 0.67 3.19 -0.20 -0.68 2.96 0.13 0.06 118.68 124.81 2d1p s LEU 28 Ca -0.09 -0.18 -0.14 0.00 -0.22 0.00 0.00 54.13 53.50 2d1p s LEU 28 Cb -0.16 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 2d1p s LEU 28 CO 0.02 0.13 0.30 -0.76 -1.32 0.00 0.00 176.35 174.72 2d1p s LEU 29 N 0.62 4.17 0.19 -0.68 1.43 0.16 -1.41 118.68 123.16 2d1p s LEU 29 Ca -0.02 0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 53.47 2d1p s LEU 29 Cb -0.14 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 2d1p s LEU 29 CO 0.02 0.01 0.13 -1.48 0.23 0.00 0.00 176.35 175.27 2d1p s LEU 30 N 1.00 1.23 0.00 1.79 2.34 -0.77 -1.05 118.68 123.21 2d1p s LEU 30 Ca 0.15 -1.33 0.00 0.00 0.06 0.00 0.00 54.13 53.02 2d1p s LEU 30 Cb -0.14 0.44 0.00 0.00 -0.56 0.00 0.00 46.19 45.93 2d1p s LEU 30 CO 0.06 -0.83 0.00 0.00 -1.06 0.00 0.00 176.35 174.51 2d1p n GLN 31 N -0.24 0.00 0.13 1.48 6.02 -1.26 0.20 117.38 123.70 2d1p n GLN 31 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.11 2d1p n GLN 31 Cb 0.65 0.00 0.49 0.00 1.02 0.00 0.00 30.24 32.40 2d1p n GLN 31 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2d1p n ASP 32 N 2.26 0.62 0.27 1.08 8.00 -0.96 -3.04 116.55 124.79 2d1p n ASP 32 Ca 0.00 0.67 0.13 0.00 0.71 0.00 0.00 54.79 56.30 2d1p n ASP 32 Cb 0.00 -0.79 0.79 0.00 -0.02 0.00 0.00 41.12 41.09 2d1p n ASP 32 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2d1p h GLY 33 N 1.98 0.00 2.00 0.44 0.00 -0.21 -2.88 103.07 104.40 2d1p h GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2d1p h GLY 33 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 176.54 176.15 2d1p h VAL 34 N 0.00 0.00 0.00 4.60 -1.51 -1.61 -2.01 116.25 115.72 2d1p h VAL 34 Ca -0.00 -0.08 -0.00 0.00 -1.23 0.00 0.00 66.70 65.39 2d1p h VAL 34 Cb 0.20 0.68 -0.00 0.00 -2.13 0.00 0.00 31.29 30.05 2d1p h VAL 34 CO 0.01 0.00 -0.01 0.71 -1.23 0.00 0.00 177.57 177.05 2d1p h THR 35 N 0.00 0.07 0.00 7.19 1.35 -1.78 -0.33 112.91 119.41 2d1p h THR 35 Ca 0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 2d1p h THR 35 Cb 0.12 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 2d1p h THR 35 CO 0.00 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.28 2d1p n ALA 36 N -2.11 2.04 1.10 6.62 0.00 -0.75 -2.57 120.51 124.83 2d1p n ALA 36 Ca -0.02 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.45 2d1p n ALA 36 Cb 0.17 -1.34 0.15 0.00 0.00 0.00 0.00 19.45 18.43 2d1p n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d1p n ALA 37 N -1.38 3.44 -2.01 0.00 0.00 -0.13 -4.36 120.51 116.07 2d1p n ALA 37 Ca 0.08 -0.54 -0.42 0.00 0.00 0.00 0.00 53.44 52.56 2d1p n ALA 37 Cb 0.20 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 2d1p n ALA 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2d1p s VAL 38 N -2.54 3.53 0.04 0.00 1.01 -1.06 -1.76 120.40 119.62 2d1p s VAL 38 Ca 0.20 0.70 -0.35 0.00 0.00 0.00 0.00 61.98 62.52 2d1p s VAL 38 Cb 0.18 -3.45 -0.14 0.00 0.00 0.00 0.00 36.38 32.97 2d1p s VAL 38 CO 0.57 -0.05 1.63 -0.67 0.00 0.00 0.00 175.10 176.58 2d1p n ASP 39 N 6.90 2.84 0.00 3.32 2.03 0.29 -1.59 116.55 130.35 2d1p n ASP 39 Ca 0.17 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.54 2d1p n ASP 39 Cb 0.43 -1.34 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 2d1p n ASP 39 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2d1p n GLY 40 N 3.58 0.76 3.80 0.27 0.00 -1.26 -5.00 105.19 107.35 2d1p n GLY 40 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2d1p n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d1p s ASN 41 N -2.93 6.09 0.52 1.61 4.22 -0.62 -4.94 114.94 118.90 2d1p s ASN 41 Ca 0.00 1.85 0.31 0.00 -2.14 0.00 0.00 52.86 52.87 2d1p s ASN 41 Cb 0.00 -2.54 1.45 0.00 1.28 0.00 0.00 41.25 41.44 2d1p s ASN 41 CO 0.00 -0.96 1.87 -0.09 -2.04 0.00 0.00 177.10 175.88 2d1p h ARG 42 N 0.96 0.04 0.00 3.55 2.43 -1.97 -2.46 114.38 116.94 2d1p h ARG 42 Ca -0.48 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2d1p h ARG 42 Cb 1.22 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2d1p h ARG 42 CO 0.58 0.03 -0.84 0.66 -1.51 0.00 0.00 179.97 178.89 2d1p n TYR 43 N -4.29 0.14 -0.23 2.20 4.02 -1.26 -4.44 117.16 113.30 2d1p n TYR 43 Ca 0.20 0.04 -0.03 0.00 -0.01 0.00 0.00 57.90 58.10 2d1p n TYR 43 Cb 0.98 -0.30 0.08 0.00 -0.02 0.00 0.00 39.34 40.09 2d1p n TYR 43 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 2d1p h LEU 44 N 0.00 0.61 -0.47 7.72 5.85 -1.64 -2.97 115.31 124.41 2d1p h LEU 44 Ca 0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.75 2d1p h LEU 44 Cb 0.61 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2d1p h LEU 44 CO 0.00 0.41 0.29 -0.08 -0.34 0.00 0.00 178.44 178.72 2d1p h GLU 45 N 0.74 0.57 -0.42 1.25 4.57 -1.78 -1.30 114.58 118.21 2d1p h GLU 45 Ca 0.28 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.40 2d1p h GLU 45 Cb 0.09 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 2d1p h GLU 45 CO -0.14 0.38 0.16 0.66 -1.18 0.00 0.00 179.01 178.89 2d1p h SER 46 N 0.59 0.55 -0.15 1.04 4.64 -1.81 -0.28 113.55 118.12 2d1p h SER 46 Ca 0.18 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 2d1p h SER 46 Cb -0.02 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 2d1p h SER 46 CO -0.06 0.51 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.32 2d1p h LEU 47 N 0.60 0.28 -1.65 5.97 3.38 -1.27 -2.65 115.31 119.97 2d1p h LEU 47 Ca 0.15 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2d1p h LEU 47 Cb 0.14 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2d1p h LEU 47 CO -0.01 0.55 0.08 0.03 0.09 0.00 0.00 178.44 179.18 2d1p h ARG 48 N 0.00 0.30 -0.00 1.13 3.08 -0.78 -0.63 114.38 117.48 2d1p h ARG 48 Ca 0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2d1p h ARG 48 Cb 0.42 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2d1p h ARG 48 CO 0.01 0.26 -0.02 0.09 -1.07 0.00 0.00 179.97 179.24 2d1p n ASN 49 N -4.44 0.09 -4.82 7.04 5.03 -0.16 -4.81 115.26 113.20 2d1p n ASN 49 Ca 0.00 -0.40 -0.35 0.00 0.87 0.00 0.00 54.58 54.70 2d1p n ASN 49 Cb 0.13 -0.19 -0.06 0.00 -1.02 0.00 0.00 39.78 38.64 2d1p n ASN 49 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2d1p s ALA 50 N -2.44 3.37 0.00 5.41 0.00 -0.24 -4.94 121.76 122.92 2d1p s ALA 50 Ca 0.33 0.17 -0.03 0.00 0.00 0.00 0.00 51.96 52.42 2d1p s ALA 50 Cb 0.21 -2.84 -0.15 0.00 0.00 0.00 0.00 23.12 20.34 2d1p s ALA 50 CO 0.44 0.31 2.42 -0.35 0.00 0.00 0.00 175.76 178.59 2d1p n PRO 51 N 0.43 1.25 -4.13 0.00 -0.04 -1.26 -4.82 135.00 126.44 2d1p n PRO 51 Ca -0.00 -0.56 -0.11 0.00 -0.04 0.00 0.00 63.50 62.79 2d1p n PRO 51 Cb 0.52 -1.71 -0.09 0.00 -0.04 0.00 0.00 33.50 32.18 2d1p n PRO 51 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2d1p s ILE 52 N 1.41 0.03 -0.14 0.52 -4.36 -1.26 -3.27 121.20 114.13 2d1p s ILE 52 Ca 0.37 -1.81 -0.07 0.00 -0.26 0.00 0.00 60.65 58.88 2d1p s ILE 52 Cb 0.18 -2.26 -0.04 0.00 1.25 0.00 0.00 42.46 41.59 2d1p s ILE 52 CO 0.00 -0.15 0.11 -0.54 0.24 0.00 0.00 174.94 174.60 2d1p s LYS 53 N -4.09 3.59 -0.14 0.37 1.02 -1.23 -4.98 119.74 114.29 2d1p s LYS 53 Ca 0.30 -0.21 -0.03 0.00 0.02 0.00 0.00 55.97 56.05 2d1p s LYS 53 Cb 0.05 -3.18 -0.03 0.00 -0.52 0.00 0.00 37.83 34.16 2d1p s LYS 53 CO 0.07 0.61 -0.05 0.08 -0.92 0.00 0.00 175.35 175.15 2d1p s VAL 54 N -0.56 3.80 0.18 3.17 1.01 -1.26 -1.55 120.40 125.18 2d1p s VAL 54 Ca 0.12 -0.40 0.11 0.00 0.00 0.00 0.00 61.98 61.81 2d1p s VAL 54 Cb -0.12 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 2d1p s VAL 54 CO 0.02 0.51 -0.22 -0.31 0.00 0.00 0.00 175.10 175.10 2d1p s TYR 55 N 0.17 2.36 -0.04 5.22 2.02 0.11 -1.47 117.35 125.73 2d1p s TYR 55 Ca -0.02 -0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.36 2d1p s TYR 55 Cb -0.14 -1.19 0.01 0.00 -0.40 0.00 0.00 41.96 40.25 2d1p s TYR 55 CO 0.03 0.48 -0.06 0.00 -1.57 0.00 0.00 175.55 174.42 2d1p s ALA 56 N -1.57 0.74 -0.28 3.71 0.00 -0.42 0.41 121.76 124.34 2d1p s ALA 56 Ca 0.20 -0.16 -0.29 0.00 0.00 0.00 0.00 51.96 51.71 2d1p s ALA 56 Cb -0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 2d1p s ALA 56 CO 0.10 0.05 1.47 -1.17 0.00 0.00 0.00 175.76 176.22 2d1p s LEU 57 N 0.61 3.83 0.26 0.00 2.96 -0.22 -1.98 118.68 124.14 2d1p s LEU 57 Ca -0.09 1.33 -0.02 0.00 -0.22 0.00 0.00 54.13 55.14 2d1p s LEU 57 Cb -0.12 -3.54 0.51 0.00 0.50 0.00 0.00 46.19 43.54 2d1p s LEU 57 CO 0.01 -1.23 1.74 -1.13 -1.32 0.00 0.00 176.35 174.42 2d1p h ASN 58 N 10.26 0.41 -0.56 3.68 -1.24 -1.05 -1.45 115.58 125.64 2d1p h ASN 58 Ca -0.30 0.10 0.04 0.00 0.71 0.00 0.00 56.30 56.86 2d1p h ASN 58 Cb 1.13 0.05 -0.03 0.00 0.73 0.00 0.00 38.32 40.19 2d1p h ASN 58 CO 1.03 0.16 0.37 -0.33 -1.29 0.00 0.00 177.43 177.37 2d1p h GLU 59 N 0.53 0.58 0.00 6.67 3.07 -1.91 -0.59 114.58 122.93 2d1p h GLU 59 Ca 0.45 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 59.14 2d1p h GLU 59 Cb 0.66 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 2d1p h GLU 59 CO -0.39 0.38 -0.61 -0.44 -1.40 0.00 0.00 179.01 176.55 2d1p h ASP 60 N 0.60 0.00 -0.04 1.42 3.32 -1.63 -1.87 116.42 118.21 2d1p h ASP 60 Ca 0.23 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.07 2d1p h ASP 60 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2d1p h ASP 60 CO -0.06 0.61 -0.74 -0.07 -1.72 0.00 0.00 179.24 177.26 2d1p h LEU 61 N 0.00 0.81 -0.42 1.55 3.38 -0.97 -2.60 115.31 117.06 2d1p h LEU 61 Ca -0.01 -0.52 -0.05 0.00 0.09 0.00 0.00 57.88 57.39 2d1p h LEU 61 Cb 1.37 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2d1p h LEU 61 CO 0.08 1.30 0.06 0.40 0.09 0.00 0.00 178.44 180.37 2d1p h ILE 62 N 0.48 1.24 -0.56 1.22 2.04 -1.10 0.14 117.51 120.97 2d1p h ILE 62 Ca -0.04 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 64.94 2d1p h ILE 62 Cb 1.35 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 2d1p h ILE 62 CO 0.15 0.31 0.37 0.00 0.00 0.00 0.00 178.15 178.98 2d1p h ALA 63 N 0.93 1.62 -0.31 1.87 0.00 -1.31 -2.42 119.26 119.63 2d1p h ALA 63 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2d1p h ALA 63 Cb 0.38 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2d1p h ALA 63 CO 0.01 0.35 0.00 0.54 0.00 0.00 0.00 179.25 180.15 2d1p n ARG 64 N -4.45 2.34 -3.43 0.00 1.74 -0.98 -4.97 116.66 106.90 2d1p n ARG 64 Ca 0.06 -2.02 -0.19 0.00 -0.77 0.00 0.00 57.85 54.93 2d1p n ARG 64 Cb 0.06 -1.49 0.08 0.00 -1.02 0.00 0.00 32.46 30.09 2d1p n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2d1p n GLY 65 N 1.42 -0.38 0.00 -0.13 0.00 -0.14 -4.93 105.19 101.03 2d1p n GLY 65 Ca 0.18 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2d1p n GLY 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d1p n LEU 66 N -4.28 1.51 -0.00 0.99 4.77 0.31 -4.79 117.00 115.50 2d1p n LEU 66 Ca -0.17 -1.51 0.22 0.00 -0.03 0.00 0.00 56.01 54.51 2d1p n LEU 66 Cb 0.62 0.00 0.71 0.00 -2.33 0.00 0.00 43.42 42.43 2d1p n LEU 66 CO 0.59 0.38 1.20 0.71 -1.33 0.00 0.00 177.39 178.94 2d1p h THR 67 N 0.21 0.62 -0.70 -5.08 1.35 -1.92 -1.60 112.91 105.80 2d1p h THR 67 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2d1p h THR 67 Cb 0.38 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 2d1p h THR 67 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2d1p n GLY 68 N -1.61 2.34 0.11 5.82 0.00 -1.26 -4.26 105.19 106.33 2d1p n GLY 68 Ca 0.10 -0.77 0.07 0.00 0.00 0.00 0.00 46.02 45.42 2d1p n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2d1p n GLN 69 N 1.49 1.32 -2.90 1.61 6.02 -0.60 -5.06 117.38 119.27 2d1p n GLN 69 Ca 0.24 -2.19 -0.39 0.00 -0.01 0.00 0.00 57.00 54.65 2d1p n GLN 69 Cb 0.63 -1.29 -0.06 0.00 1.02 0.00 0.00 30.24 30.55 2d1p n GLN 69 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2d1p s ILE 70 N -2.21 4.29 0.55 5.09 -1.09 -1.24 -0.54 121.20 126.04 2d1p s ILE 70 Ca 0.23 1.77 -0.21 0.00 -2.23 0.00 0.00 60.65 60.22 2d1p s ILE 70 Cb 0.20 -4.13 -0.05 0.00 -1.58 0.00 0.00 42.46 36.90 2d1p s ILE 70 CO 0.02 0.41 1.24 -0.55 -1.23 0.00 0.00 174.94 174.83 2d1p s SER 71 N -1.31 5.43 0.23 3.58 0.15 -0.72 -4.70 113.70 116.35 2d1p s SER 71 Ca 0.41 2.47 0.24 0.00 0.70 0.00 0.00 55.95 59.77 2d1p s SER 71 Cb -0.22 -2.61 0.93 0.00 -1.71 0.00 0.00 66.02 62.41 2d1p s SER 71 CO 0.27 -1.44 1.72 0.59 1.20 0.00 0.00 173.24 175.58 2d1p n ASN 72 N -1.19 0.66 0.19 5.45 3.02 -1.26 -2.37 115.26 119.76 2d1p n ASN 72 Ca 0.11 0.63 0.13 0.00 -0.03 0.00 0.00 54.58 55.43 2d1p n ASN 72 Cb 0.48 -0.78 0.33 0.00 -0.61 0.00 0.00 39.78 39.20 2d1p n ASN 72 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2d1p h ASP 73 N 0.00 0.00 -3.33 6.41 3.32 -1.97 -3.44 116.42 117.41 2d1p h ASP 73 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 2d1p h ASP 73 Cb 0.46 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.92 2d1p h ASP 73 CO 0.00 0.00 -0.17 -0.63 -1.72 0.00 0.00 179.24 176.72 2d1p s ILE 74 N -3.25 5.21 -0.19 0.35 1.01 -1.00 -4.62 121.20 118.72 2d1p s ILE 74 Ca 0.07 0.87 -0.22 0.00 0.00 0.00 0.00 60.65 61.37 2d1p s ILE 74 Cb 0.08 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 2d1p s ILE 74 CO 0.61 0.33 0.68 -0.63 0.00 0.00 0.00 174.94 175.93 2d1p s ILE 75 N 0.65 4.99 -0.10 2.92 1.01 -0.54 -4.89 121.20 125.23 2d1p s ILE 75 Ca 0.24 1.29 -0.26 0.00 0.00 0.00 0.00 60.65 61.91 2d1p s ILE 75 Cb -0.15 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 2d1p s ILE 75 CO 0.09 0.09 0.86 -0.22 0.00 0.00 0.00 174.94 175.76 2d1p s LEU 76 N 1.94 4.25 0.18 2.97 2.96 -1.26 -1.31 118.68 128.42 2d1p s LEU 76 Ca 0.31 1.32 0.02 0.00 -0.22 0.00 0.00 54.13 55.56 2d1p s LEU 76 Cb -0.16 -3.31 -0.05 0.00 0.50 0.00 0.00 46.19 43.17 2d1p s LEU 76 CO 0.11 -0.32 0.02 0.27 -1.32 0.00 0.00 176.35 175.11 2d1p s ILE 77 N 1.61 0.63 0.24 6.68 -4.36 -0.84 -4.95 121.20 120.21 2d1p s ILE 77 Ca 0.42 -1.98 0.02 0.00 -0.26 0.00 0.00 60.65 58.85 2d1p s ILE 77 Cb -0.18 -2.19 0.02 0.00 1.25 0.00 0.00 42.46 41.36 2d1p s ILE 77 CO 0.17 -0.40 0.16 -0.90 0.24 0.00 0.00 174.94 174.21 2d1p n ASP 78 N -0.27 1.87 -0.12 4.36 5.68 -1.26 -0.36 116.55 126.45 2d1p n ASP 78 Ca -0.05 -1.86 -0.01 0.00 -0.50 0.00 0.00 54.79 52.36 2d1p n ASP 78 Cb 0.64 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.86 2d1p n ASP 78 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 2d1p h TYR 79 N 0.63 0.80 -0.77 2.11 0.05 -2.00 -0.59 116.97 117.21 2d1p h TYR 79 Ca -0.16 -0.04 -0.05 0.00 0.05 0.00 0.00 58.73 58.53 2d1p h TYR 79 Cb 0.57 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 38.03 2d1p h TYR 79 CO 0.00 0.62 0.28 1.15 -1.05 0.00 0.00 178.16 179.16 2d1p h THR 80 N 0.79 1.26 -0.70 -2.88 2.02 -1.99 0.89 112.91 112.30 2d1p h THR 80 Ca 0.19 -0.86 -0.07 0.00 0.77 0.00 0.00 66.41 66.43 2d1p h THR 80 Cb 0.15 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 2d1p h THR 80 CO -0.02 0.35 0.15 0.44 0.37 0.00 0.00 175.52 176.81 2d1p h ASP 81 N 1.13 1.09 -0.05 4.18 3.32 -1.80 -1.80 116.42 122.48 2d1p h ASP 81 Ca 0.25 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 57.08 2d1p h ASP 81 Cb 0.26 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2d1p h ASP 81 CO -0.01 1.05 -0.07 0.15 -1.72 0.00 0.00 179.24 178.63 2d1p h PHE 82 N 1.07 -0.18 -0.27 4.55 3.04 -0.30 0.34 116.94 125.19 2d1p h PHE 82 Ca 0.22 0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.24 2d1p h PHE 82 Cb 0.40 0.09 -0.06 0.00 2.56 0.00 0.00 35.95 38.94 2d1p h PHE 82 CO 0.03 -0.11 -0.09 0.28 -2.02 0.00 0.00 178.31 176.39 2d1p h VAL 83 N -0.10 0.67 0.00 1.41 2.07 -0.54 -1.21 116.25 118.55 2d1p h VAL 83 Ca 0.05 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 2d1p h VAL 83 Cb 0.17 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2d1p h VAL 83 CO -0.11 0.00 -0.14 0.03 0.02 0.00 0.00 177.57 177.37 2d1p h ARG 84 N -0.04 0.00 -0.47 1.57 3.08 -0.85 -1.42 114.38 116.25 2d1p h ARG 84 Ca 0.14 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 2d1p h ARG 84 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2d1p h ARG 84 CO -0.30 0.14 -0.12 1.25 -1.07 0.00 0.00 179.97 179.86 2d1p h LEU 85 N 0.00 0.86 -0.71 3.04 5.85 0.24 -0.42 115.31 124.17 2d1p h LEU 85 Ca -0.00 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 2d1p h LEU 85 Cb 0.25 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2d1p h LEU 85 CO 0.02 0.99 -0.19 0.71 -0.34 0.00 0.00 178.44 179.63 2d1p h THR 86 N 0.77 0.39 0.06 1.05 1.35 -0.61 -2.10 112.91 113.82 2d1p h THR 86 Ca 0.12 -1.20 -0.26 0.00 -0.55 0.00 0.00 66.41 64.52 2d1p h THR 86 Cb 0.63 1.90 0.02 0.00 -1.73 0.00 0.00 68.15 68.97 2d1p h THR 86 CO 0.04 0.18 -1.10 0.58 -0.25 0.00 0.00 175.52 174.98 2d1p h VAL 87 N 0.00 1.35 -0.55 6.82 2.07 -0.86 -3.30 116.25 121.78 2d1p h VAL 87 Ca -0.00 -2.49 -0.10 0.00 0.82 0.00 0.00 66.70 64.93 2d1p h VAL 87 Cb 0.89 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 33.20 2d1p h VAL 87 CO 0.02 0.75 -0.03 0.50 0.02 0.00 0.00 177.57 178.83 2d1p h LYS 88 N 0.26 0.99 -5.38 1.57 3.64 -0.88 -3.42 116.57 113.34 2d1p h LYS 88 Ca -0.13 -0.33 -0.60 0.00 -1.27 0.00 0.00 60.65 58.32 2d1p h LYS 88 Cb 1.76 -0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 33.39 2d1p h LYS 88 CO 0.20 1.01 -0.39 -1.01 -2.27 0.00 0.00 179.45 176.99 2d1p s HIS 89 N -4.96 3.43 0.40 1.91 3.76 -0.81 -4.98 115.29 114.03 2d1p s HIS 89 Ca -0.12 0.48 0.08 0.00 -0.15 0.00 0.00 55.06 55.34 2d1p s HIS 89 Cb 0.13 -2.28 0.83 0.00 1.11 0.00 0.00 32.58 32.36 2d1p s HIS 89 CO 0.85 0.23 2.00 -1.35 -0.85 0.00 0.00 174.74 175.62 2d1p h PRO 90 N 6.77 0.42 -4.78 8.40 0.11 -1.82 -3.45 132.00 137.64 2d1p h PRO 90 Ca -0.41 -0.05 -0.26 0.00 0.11 0.00 0.00 66.00 65.39 2d1p h PRO 90 Cb 1.16 -0.08 -0.15 0.00 0.11 0.00 0.00 31.00 32.04 2d1p h PRO 90 CO 0.75 0.37 -0.69 -1.54 -0.21 0.00 0.00 178.00 176.68 2d1p s SER 91 N -6.77 1.32 -0.02 -2.05 1.04 -1.26 -5.08 113.70 100.87 2d1p s SER 91 Ca -0.07 -1.04 0.03 0.00 0.48 0.00 0.00 55.95 55.35 2d1p s SER 91 Cb 0.17 0.07 -0.00 0.00 0.10 0.00 0.00 66.02 66.36 2d1p s SER 91 CO 0.73 -0.45 -0.12 -1.58 0.98 0.00 0.00 173.24 172.79 2d1p s GLN 92 N -3.83 1.18 -0.38 4.02 0.74 -1.26 -1.46 119.66 118.67 2d1p s GLN 92 Ca 0.15 -0.44 -0.02 0.00 0.05 0.00 0.00 55.36 55.10 2d1p s GLN 92 Cb 0.05 -1.09 0.09 0.00 1.10 0.00 0.00 33.01 33.16 2d1p s GLN 92 CO -0.02 0.21 0.15 1.41 -0.55 0.00 0.00 175.29 176.49 2d1p s MET 93 N -0.04 2.10 -0.32 1.67 -2.45 -0.17 -4.96 119.30 115.13 2d1p s MET 93 Ca 0.00 -1.66 -0.18 0.00 -1.25 0.00 0.00 55.69 52.59 2d1p s MET 93 Cb -0.08 -3.47 -0.01 0.00 1.25 0.00 0.00 34.83 32.52 2d1p s MET 93 CO 0.00 -0.94 0.54 0.00 1.05 0.00 0.00 175.02 175.67 2d1p s ALA 94 N 1.17 3.51 -1.95 4.11 0.00 -1.26 -1.08 121.76 126.26 2d1p s ALA 94 Ca 0.05 -0.83 0.16 0.00 0.00 0.00 0.00 51.96 51.34 2d1p s ALA 94 Cb -0.22 -3.00 0.12 0.00 0.00 0.00 0.00 23.12 20.03 2d1p s ALA 94 CO -0.03 -1.07 0.99 0.91 0.00 0.00 0.00 175.76 176.57