#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pcp s LYS 2 N 0.00 1.88 0.00 3.44 2.36 -1.25 -3.35 119.74 122.82 1pcp s LYS 2 Ca 0.00 -1.67 0.00 0.00 -2.55 0.00 0.00 55.97 51.75 1pcp s LYS 2 Cb 0.00 -3.22 0.00 0.00 -1.05 0.00 0.00 37.83 33.56 1pcp s LYS 2 CO 0.00 -0.85 0.00 -0.35 1.55 0.00 0.00 175.35 175.70 1pcp n PRO 3 N 4.41 1.88 0.00 4.03 -0.04 -1.26 -5.10 135.00 138.92 1pcp n PRO 3 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1pcp n PRO 3 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 1pcp n PRO 3 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pcp n ALA 4 N -3.00 0.00 0.00 0.55 0.00 -1.26 -5.09 120.51 111.71 1pcp n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pcp n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pcp n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pcp n ALA 5 N -3.00 2.49 -0.34 0.00 0.00 -1.26 -4.77 120.51 113.63 1pcp n ALA 5 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.71 1pcp n ALA 5 Cb 0.00 0.15 0.58 0.00 0.00 0.00 0.00 19.45 20.18 1pcp n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pcp n ARG 7 N -4.54 1.72 0.01 0.00 1.85 -1.26 -2.63 116.66 111.81 1pcp n ARG 7 Ca 0.27 -1.07 0.00 0.00 -1.00 0.00 0.00 57.85 56.05 1pcp n ARG 7 Cb 1.03 -1.52 0.00 0.00 -1.05 0.00 0.00 32.46 30.92 1pcp n ARG 7 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1pcp n SER 9 N -2.56 3.14 -0.73 0.00 3.41 0.57 -3.47 113.62 113.99 1pcp n SER 9 Ca 0.00 -2.48 -0.02 0.00 -0.26 0.00 0.00 58.87 56.11 1pcp n SER 9 Cb 0.00 -0.60 -0.02 0.00 -0.26 0.00 0.00 64.21 63.33 1pcp n SER 9 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1pcp n ARG 10 N 0.16 0.00 0.00 4.33 3.00 -1.08 -4.92 116.66 118.16 1pcp n ARG 10 Ca 0.15 -0.52 0.00 0.00 -0.00 0.00 0.00 57.85 57.48 1pcp n ARG 10 Cb 0.75 0.14 0.00 0.00 0.00 0.00 0.00 32.46 33.35 1pcp n ARG 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1pcp n GLN 11 N 0.02 2.89 -3.86 -0.14 6.02 -1.23 -4.83 117.38 116.26 1pcp n GLN 11 Ca -0.10 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.56 1pcp n GLN 11 Cb 0.62 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.83 1pcp n GLN 11 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1pcp s ASP 12 N -1.96 6.41 -1.12 1.08 -1.08 -1.26 -4.99 116.67 113.75 1pcp s ASP 12 Ca 0.00 0.40 -0.16 0.00 -0.52 0.00 0.00 52.55 52.26 1pcp s ASP 12 Cb 0.00 -2.02 -0.07 0.00 -1.46 0.00 0.00 42.92 39.38 1pcp s ASP 12 CO 0.00 0.22 2.15 -0.81 0.52 0.00 0.00 175.17 177.25 1pcp n PRO 13 N 0.76 2.26 -1.40 4.34 -0.04 -1.26 -4.43 135.00 135.22 1pcp n PRO 13 Ca -0.09 -2.12 0.00 0.00 -0.04 0.00 0.00 63.50 61.25 1pcp n PRO 13 Cb 0.52 -3.00 0.00 0.00 -0.04 0.00 0.00 33.50 30.98 1pcp n PRO 13 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1pcp n LYS 14 N 6.08 0.00 0.00 0.54 5.02 -1.26 -5.04 118.16 123.50 1pcp n LYS 14 Ca 0.52 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 57.30 1pcp n LYS 14 Cb 0.36 -0.91 0.00 0.00 -0.02 0.00 0.00 35.03 34.45 1pcp n LYS 14 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1pcp n ASN 15 N 0.00 4.16 0.00 4.39 3.02 -1.26 -5.03 115.26 120.54 1pcp n ASN 15 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1pcp n ASN 15 Cb 0.00 0.57 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 1pcp n ASN 15 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1pcp n ARG 16 N -1.56 0.00 -4.02 3.52 1.74 -1.26 -5.07 116.66 110.01 1pcp n ARG 16 Ca 0.00 0.06 -0.35 0.00 -0.77 0.00 0.00 57.85 56.79 1pcp n ARG 16 Cb 0.26 -1.89 -0.09 0.00 -1.02 0.00 0.00 32.46 29.72 1pcp n ARG 16 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1pcp s VAL 17 N -2.00 4.90 0.06 1.55 1.01 -1.26 -4.98 120.40 119.69 1pcp s VAL 17 Ca 0.00 -0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.03 1pcp s VAL 17 Cb 0.00 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1pcp s VAL 17 CO 0.00 0.52 -0.15 0.54 0.00 0.00 0.00 175.10 176.01 1pcp s ASN 18 N -0.16 1.82 -0.28 3.32 2.20 -1.26 -4.52 114.94 116.07 1pcp s ASN 18 Ca 0.08 -0.55 0.21 0.00 -0.94 0.00 0.00 52.86 51.66 1pcp s ASN 18 Cb -0.12 -0.09 0.49 0.00 -2.00 0.00 0.00 41.25 39.53 1pcp s ASN 18 CO 0.01 0.00 1.06 0.00 -2.94 0.00 0.00 177.10 175.23 1pcp n GLY 20 N -0.42 2.37 3.13 0.00 0.00 -1.26 -4.62 105.19 104.38 1pcp n GLY 20 Ca 0.08 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1pcp n GLY 20 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pcp s PHE 21 N 0.23 0.70 -0.43 1.61 -0.12 -1.26 -5.09 117.98 113.62 1pcp s PHE 21 Ca 0.00 -0.97 -0.29 0.00 -0.05 0.00 0.00 56.93 55.62 1pcp s PHE 21 Cb 0.00 -0.45 0.01 0.00 -0.63 0.00 0.00 43.02 41.95 1pcp s PHE 21 CO 0.00 -0.26 1.42 -1.25 -0.05 0.00 0.00 175.22 175.08 1pcp s PRO 22 N -3.79 3.53 0.00 1.99 0.04 -1.26 -2.54 135.00 132.98 1pcp s PRO 22 Ca 0.09 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1pcp s PRO 22 Cb 0.06 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.56 1pcp s PRO 22 CO -0.07 -1.62 0.00 0.41 0.04 0.00 0.00 177.00 175.76 1pcp n GLY 23 N 5.11 1.09 3.56 0.56 0.00 -1.26 -5.12 105.19 109.12 1pcp n GLY 23 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1pcp n GLY 23 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pcp s ILE 24 N -1.91 2.08 -0.15 -0.61 2.07 -1.05 -5.00 121.20 116.63 1pcp s ILE 24 Ca 0.00 0.03 -0.10 0.00 -1.41 0.00 0.00 60.65 59.17 1pcp s ILE 24 Cb 0.00 -2.12 -0.07 0.00 0.13 0.00 0.00 42.46 40.41 1pcp s ILE 24 CO 0.00 -0.03 -0.23 0.35 -1.91 0.00 0.00 174.94 173.12 1pcp n THR 25 N -4.67 1.10 0.00 4.00 -2.24 -1.26 -5.09 114.28 106.12 1pcp n THR 25 Ca 0.05 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1pcp n THR 25 Cb 0.54 -1.84 0.00 0.00 -2.10 0.00 0.00 70.33 66.93 1pcp n THR 25 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1pcp n SER 26 N -3.89 0.00 -0.31 3.42 3.41 -1.26 -4.97 113.62 110.02 1pcp n SER 26 Ca -0.27 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.28 1pcp n SER 26 Cb 0.63 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.56 1pcp n SER 26 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1pcp h ASP 27 N 0.00 -1.58 -0.34 4.04 5.19 -1.98 2.74 116.42 124.50 1pcp h ASP 27 Ca 0.00 0.28 0.10 0.00 -0.62 0.00 0.00 57.03 56.79 1pcp h ASP 27 Cb 0.00 0.75 -0.01 0.00 0.18 0.00 0.00 39.33 40.25 1pcp h ASP 27 CO 0.00 -0.30 0.35 1.56 -3.12 0.00 0.00 179.24 177.74 1pcp h GLN 28 N -0.10 0.00 0.04 3.56 1.08 -1.97 0.82 115.11 118.54 1pcp h GLN 28 Ca 0.24 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 57.18 1pcp h GLN 28 Cb 0.55 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.95 1pcp h GLN 28 CO -0.84 0.00 -1.34 0.00 -0.95 0.00 0.00 178.83 175.69 1pcp n PHE 30 N -3.31 0.08 0.79 0.00 3.01 0.31 -1.28 117.46 117.05 1pcp n PHE 30 Ca -0.09 0.02 0.08 0.00 1.01 0.00 0.00 57.45 58.47 1pcp n PHE 30 Cb 1.00 -0.51 -0.09 0.00 -0.01 0.00 0.00 39.48 39.87 1pcp n PHE 30 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1pcp n THR 31 N -1.56 0.00 0.36 4.37 -1.04 0.16 -3.78 114.28 112.78 1pcp n THR 31 Ca 0.07 -0.11 0.10 0.00 -2.04 0.00 0.00 64.05 62.07 1pcp n THR 31 Cb 0.35 1.00 0.26 0.00 -1.82 0.00 0.00 70.33 70.12 1pcp n THR 31 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1pcp n SER 32 N -1.39 2.98 -0.00 8.00 2.88 -1.01 -4.89 113.62 120.19 1pcp n SER 32 Ca 0.03 -1.95 -0.00 0.00 -1.33 0.00 0.00 58.87 55.62 1pcp n SER 32 Cb 0.26 -0.31 -0.00 0.00 -0.75 0.00 0.00 64.21 63.41 1pcp n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pcp n GLY 33 N 1.40 0.45 2.83 0.46 0.00 -1.21 -5.02 105.19 104.09 1pcp n GLY 33 Ca 0.19 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 1pcp n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pcp s PHE 36 N -2.82 -0.47 0.00 0.00 2.19 -1.26 -2.58 117.98 113.05 1pcp s PHE 36 Ca 0.18 1.08 0.00 0.00 0.33 0.00 0.00 56.93 58.52 1pcp s PHE 36 Cb 0.05 0.17 0.00 0.00 -1.31 0.00 0.00 43.02 41.93 1pcp s PHE 36 CO 0.09 -0.25 0.00 -3.47 1.83 0.00 0.00 175.22 173.43 1pcp n ASP 37 N 3.42 0.00 0.00 6.13 -0.08 0.06 -4.89 116.55 121.19 1pcp n ASP 37 Ca -0.17 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.11 1pcp n ASP 37 Cb 0.56 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.02 1pcp n ASP 37 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1pcp n SER 38 N -1.38 0.00 0.33 1.67 2.88 -1.24 -4.79 113.62 111.09 1pcp n SER 38 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 1pcp n SER 38 Cb 0.00 -0.02 0.25 0.00 -0.75 0.00 0.00 64.21 63.69 1pcp n SER 38 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1pcp h GLN 39 N 1.12 0.00 -5.20 -1.46 4.20 -1.94 -3.33 115.11 108.51 1pcp h GLN 39 Ca 0.00 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 58.05 1pcp h GLN 39 Cb 0.00 0.00 -0.30 0.00 0.30 0.00 0.00 27.48 27.48 1pcp h GLN 39 CO 0.00 0.00 -0.80 0.08 -0.67 0.00 0.00 178.83 177.44 1pcp s VAL 40 N -4.01 2.71 0.41 -0.54 1.01 -1.26 -5.11 120.40 113.61 1pcp s VAL 40 Ca -0.01 -0.76 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 1pcp s VAL 40 Cb 0.03 -2.14 -0.09 0.00 0.00 0.00 0.00 36.38 34.17 1pcp s VAL 40 CO 0.08 0.51 1.05 -2.16 0.00 0.00 0.00 175.10 174.59 1pcp s PRO 41 N 0.79 4.12 0.00 2.72 0.04 -1.25 -4.10 135.00 137.32 1pcp s PRO 41 Ca -0.06 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1pcp s PRO 41 Cb -0.15 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.89 1pcp s PRO 41 CO 0.00 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.27 1pcp n GLY 42 N 0.29 2.10 3.12 0.56 0.00 -1.26 -4.94 105.19 105.06 1pcp n GLY 42 Ca 0.05 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1pcp n GLY 42 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1pcp n VAL 43 N 0.00 0.00 -2.38 1.61 0.24 -1.26 -4.78 118.33 111.76 1pcp n VAL 43 Ca 0.00 -0.14 -0.43 0.00 -2.04 0.00 0.00 64.34 61.73 1pcp n VAL 43 Cb 0.00 -0.25 -0.02 0.00 -1.47 0.00 0.00 33.84 32.10 1pcp n VAL 43 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1pcp s PRO 44 N -2.60 3.88 -0.01 7.34 0.04 -1.26 -4.90 135.00 137.48 1pcp s PRO 44 Ca 0.44 1.28 -0.25 0.00 0.04 0.00 0.00 61.00 62.51 1pcp s PRO 44 Cb 0.00 -3.91 -0.20 0.00 0.04 0.00 0.00 34.50 30.44 1pcp s PRO 44 CO 0.67 -1.17 1.32 -1.49 0.04 0.00 0.00 177.00 176.36 1pcp h TRP 45 N 9.55 -0.02 -3.35 0.56 6.55 -1.86 -3.42 115.95 123.96 1pcp h TRP 45 Ca -0.27 -0.00 -0.57 0.00 0.95 0.00 0.00 58.89 59.00 1pcp h TRP 45 Cb 1.10 0.01 -0.07 0.00 -0.86 0.00 0.00 29.16 29.34 1pcp h TRP 45 CO 0.89 0.41 -0.03 0.00 -1.05 0.00 0.00 178.44 178.66 1pcp n PHE 47 N 3.85 -0.26 -4.52 0.00 1.16 -1.07 -1.29 117.46 115.34 1pcp n PHE 47 Ca -0.04 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.19 1pcp n PHE 47 Cb 0.51 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.28 1pcp n PHE 47 CO 0.00 0.00 0.00 -1.59 -1.87 0.00 0.00 176.76 173.30 1pcp s LYS 48 N -1.09 2.89 0.99 3.97 0.00 -1.26 -1.21 119.74 124.03 1pcp s LYS 48 Ca 0.00 -0.49 -0.15 0.00 0.00 0.00 0.00 55.97 55.33 1pcp s LYS 48 Cb 0.00 -2.69 0.19 0.00 0.00 0.00 0.00 37.83 35.33 1pcp s LYS 48 CO 0.00 0.66 1.17 -1.25 0.00 0.00 0.00 175.35 175.93 1pcp s PRO 49 N -0.77 0.49 -0.56 1.78 0.04 -1.25 -4.95 135.00 129.78 1pcp s PRO 49 Ca 0.12 0.05 0.06 0.00 0.04 0.00 0.00 61.00 61.26 1pcp s PRO 49 Cb -0.11 -1.79 0.34 0.00 0.04 0.00 0.00 34.50 32.98 1pcp s PRO 49 CO 0.02 -2.59 0.93 1.47 0.04 0.00 0.00 177.00 176.86 1pcp n LEU 50 N -3.99 4.08 0.00 -3.56 -0.00 -1.26 -5.08 117.00 107.20 1pcp n LEU 50 Ca 0.10 -5.61 -0.25 0.00 -0.00 0.00 0.00 56.01 50.25 1pcp n LEU 50 Cb 0.59 -0.41 0.20 0.00 -0.00 0.00 0.00 43.42 43.80 1pcp n LEU 50 CO 0.52 2.35 0.64 -0.81 -0.00 0.00 0.00 177.39 180.09 1pcp n PRO 51 N -0.19 -1.96 -3.64 1.47 -0.04 -1.26 -4.68 135.00 124.70 1pcp n PRO 51 Ca 0.30 -1.63 -0.06 0.00 -0.04 0.00 0.00 63.50 62.07 1pcp n PRO 51 Cb 0.42 -1.29 -0.07 0.00 -0.04 0.00 0.00 33.50 32.53 1pcp n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pcp s ALA 52 N -3.51 -2.05 0.46 0.55 0.00 -1.26 -5.03 121.76 110.93 1pcp s ALA 52 Ca 0.63 2.28 0.00 0.00 0.00 0.00 0.00 51.96 54.87 1pcp s ALA 52 Cb -0.04 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.55 1pcp s ALA 52 CO 0.46 -0.36 0.00 1.04 0.00 0.00 0.00 175.76 176.90 1pcp n GLN 53 N 3.86 -2.74 0.00 0.00 6.02 -1.26 -4.01 117.38 119.25 1pcp n GLN 53 Ca -0.19 2.13 0.06 0.00 -0.01 0.00 0.00 57.00 58.99 1pcp n GLN 53 Cb 0.58 -3.24 0.32 0.00 1.02 0.00 0.00 30.24 28.92 1pcp n GLN 53 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1pcp n GLU 54 N -4.03 0.21 -3.22 -1.09 0.00 -1.26 -4.69 120.64 106.56 1pcp n GLU 54 Ca -0.05 0.14 -0.24 0.00 0.00 0.00 0.00 57.16 57.01 1pcp n GLU 54 Cb 0.58 -1.50 -0.00 0.00 0.00 0.00 0.00 31.44 30.51 1pcp n GLU 54 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1pcp s SER 55 N -2.47 6.17 -0.29 -1.84 0.01 -1.26 -5.09 113.70 108.94 1pcp s SER 55 Ca 0.13 0.43 -0.01 0.00 1.31 0.00 0.00 55.95 57.81 1pcp s SER 55 Cb 0.08 -1.91 0.09 0.00 0.21 0.00 0.00 66.02 64.50 1pcp s SER 55 CO 0.18 -0.42 0.09 -1.61 0.41 0.00 0.00 173.24 171.89 1pcp s GLU 56 N -4.41 0.66 0.00 12.44 2.02 -1.26 -4.52 118.70 123.63 1pcp s GLU 56 Ca 0.43 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.51 1pcp s GLU 56 Cb -0.10 -1.91 0.00 0.00 0.10 0.00 0.00 34.13 32.22 1pcp s GLU 56 CO 0.37 -0.93 0.00 -0.85 0.02 0.00 0.00 175.26 173.87 1pcp n GLU 57 N 4.93 0.00 -0.01 1.61 0.28 -1.26 -4.93 120.64 121.25 1pcp n GLU 57 Ca -0.04 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.06 1pcp n GLU 57 Cb 0.43 0.00 0.54 0.00 1.43 0.00 0.00 31.44 33.84 1pcp n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1pcp s VAL 59 N -1.97 4.15 0.00 0.00 1.01 -1.26 -4.96 120.40 117.38 1pcp s VAL 59 Ca 0.30 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.88 1pcp s VAL 59 Cb 0.14 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1pcp s VAL 59 CO 0.23 0.16 0.00 1.15 0.00 0.00 0.00 175.10 176.64 1pcp n MET 60 N 3.59 0.00 -1.88 2.72 0.00 -1.26 -4.96 117.12 115.32 1pcp n MET 60 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.47 1pcp n MET 60 Cb 0.47 0.00 0.06 0.00 0.00 0.00 0.00 33.22 33.75 1pcp n MET 60 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1pcp s GLN 61 N -2.00 2.51 0.66 3.17 -0.21 -1.26 -4.89 119.66 117.64 1pcp s GLN 61 Ca 0.00 0.34 0.29 0.00 0.02 0.00 0.00 55.36 56.01 1pcp s GLN 61 Cb 0.00 -1.99 1.60 0.00 1.00 0.00 0.00 33.01 33.62 1pcp s GLN 61 CO 0.00 -1.26 1.90 -0.39 -2.12 0.00 0.00 175.29 173.42 1pcp h VAL 62 N -0.81 0.00 -1.79 1.09 -1.51 -2.00 0.68 116.25 111.91 1pcp h VAL 62 Ca -0.45 0.00 -0.75 0.00 -1.23 0.00 0.00 66.70 64.27 1pcp h VAL 62 Cb 1.28 0.65 -0.28 0.00 -2.13 0.00 0.00 31.29 30.81 1pcp h VAL 62 CO 0.64 0.00 0.97 -1.20 -1.23 0.00 0.00 177.57 176.76 1pcp n SER 63 N -2.87 7.48 0.00 4.19 7.64 -1.26 -4.13 113.62 124.67 1pcp n SER 63 Ca -0.02 -3.83 0.00 0.00 1.01 0.00 0.00 58.87 56.03 1pcp n SER 63 Cb 0.39 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 1pcp n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pcp n ALA 64 N -0.61 1.03 -0.87 -0.43 0.00 0.23 -5.12 120.51 114.73 1pcp n ALA 64 Ca 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.97 1pcp n ALA 64 Cb 0.33 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.81 1pcp n ALA 64 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1pcp n ARG 65 N -1.30 0.01 0.00 0.00 1.85 -1.22 -5.00 116.66 110.99 1pcp n ARG 65 Ca 0.00 -0.17 0.00 0.00 -1.00 0.00 0.00 57.85 56.68 1pcp n ARG 65 Cb 0.00 -0.38 0.00 0.00 -1.05 0.00 0.00 32.46 31.03 1pcp n ARG 65 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1pcp n LYS 66 N -0.79 0.00 0.00 2.89 5.02 -1.26 -4.97 118.16 119.05 1pcp n LYS 66 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1pcp n LYS 66 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.08 1pcp n LYS 66 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1pcp n ASN 67 N 0.00 0.00 0.00 4.39 3.02 -1.26 -4.84 115.26 116.57 1pcp n ASN 67 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1pcp n ASN 67 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1pcp n ASN 67 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pcp n GLY 69 N 4.24 -3.11 3.84 0.00 0.00 -0.88 -4.99 105.19 104.29 1pcp n GLY 69 Ca 0.00 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 1pcp n GLY 69 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pcp s TYR 70 N -1.89 2.30 0.00 1.61 1.13 -1.26 -4.83 117.35 114.42 1pcp s TYR 70 Ca 0.35 -0.64 -0.04 0.00 -1.41 0.00 0.00 57.07 55.32 1pcp s TYR 70 Cb 0.06 -2.02 -0.18 0.00 -1.10 0.00 0.00 41.96 38.72 1pcp s TYR 70 CO 0.65 -0.15 2.71 -0.35 -2.51 0.00 0.00 175.55 175.90 1pcp n PRO 71 N -1.53 1.42 0.00 -3.49 -0.04 -1.26 -2.79 135.00 127.32 1pcp n PRO 71 Ca 0.00 -0.67 0.00 0.00 -0.04 0.00 0.00 63.50 62.79 1pcp n PRO 71 Cb 0.63 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1pcp n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pcp n GLY 72 N 2.53 0.05 3.16 0.55 0.00 -1.26 -5.13 105.19 105.09 1pcp n GLY 72 Ca 0.29 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1pcp n GLY 72 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1pcp n ILE 73 N -1.73 0.00 -3.47 -0.61 3.06 -1.12 -5.00 119.36 110.49 1pcp n ILE 73 Ca 0.00 -0.35 -0.18 0.00 -2.50 0.00 0.00 62.75 59.73 1pcp n ILE 73 Cb 0.00 -0.25 0.02 0.00 0.54 0.00 0.00 39.64 39.95 1pcp n ILE 73 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 1pcp n SER 74 N 1.54 2.02 0.00 9.51 7.64 -1.26 -4.91 113.62 128.17 1pcp n SER 74 Ca 0.01 -2.32 0.00 0.00 1.01 0.00 0.00 58.87 57.57 1pcp n SER 74 Cb 0.57 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 1pcp n SER 74 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1pcp n PRO 75 N -1.68 0.00 0.08 1.43 -0.04 -1.26 0.00 135.00 133.53 1pcp n PRO 75 Ca 0.04 0.42 0.06 0.00 -0.04 0.00 0.00 63.50 63.98 1pcp n PRO 75 Cb 0.47 -1.04 0.29 0.00 -0.04 0.00 0.00 33.50 33.18 1pcp n PRO 75 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1pcp n GLU 76 N -1.75 0.07 -0.09 0.54 1.02 -1.26 -1.93 120.64 117.23 1pcp n GLU 76 Ca 0.00 0.54 -0.16 0.00 -0.02 0.00 0.00 57.16 57.52 1pcp n GLU 76 Cb 0.00 -1.72 -0.08 0.00 -0.02 0.00 0.00 31.44 29.62 1pcp n GLU 76 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1pcp h ASP 77 N 0.00 0.00 -0.19 1.62 5.19 -1.92 -2.82 116.42 118.30 1pcp h ASP 77 Ca 0.00 -0.36 0.04 0.00 -0.62 0.00 0.00 57.03 56.09 1pcp h ASP 77 Cb 0.03 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.48 1pcp h ASP 77 CO 0.00 1.26 -0.54 0.00 -3.12 0.00 0.00 179.24 176.84 1pcp h ALA 79 N -0.21 0.96 -0.17 0.00 0.00 -1.42 1.83 119.26 120.25 1pcp h ALA 79 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pcp h ALA 79 Cb 0.66 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1pcp h ALA 79 CO -0.47 0.14 0.00 0.00 0.00 0.00 0.00 179.25 178.92 1pcp n ALA 80 N -2.34 2.48 -0.04 0.00 0.00 0.17 -3.69 120.51 117.09 1pcp n ALA 80 Ca 0.09 -0.31 -0.06 0.00 0.00 0.00 0.00 53.44 53.15 1pcp n ALA 80 Cb 0.15 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 1pcp n ALA 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pcp n ARG 81 N 0.00 0.16 0.00 0.00 5.12 1.95 -4.92 116.66 118.97 1pcp n ARG 81 Ca 0.07 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 1pcp n ARG 81 Cb 0.15 -0.91 0.00 0.00 -1.16 0.00 0.00 32.46 30.54 1pcp n ARG 81 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1pcp n ASN 82 N -3.07 0.00 0.00 0.55 0.23 0.58 -5.02 115.26 108.53 1pcp n ASN 82 Ca -0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.92 1pcp n ASN 82 Cb 0.61 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.31 1pcp n ASN 82 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1pcp s PHE 85 N -3.21 0.35 -0.52 0.00 2.19 -1.17 -1.91 117.98 113.71 1pcp s PHE 85 Ca 0.57 -0.87 0.03 0.00 0.33 0.00 0.00 56.93 57.00 1pcp s PHE 85 Cb -0.12 -0.91 0.15 0.00 -1.31 0.00 0.00 43.02 40.83 1pcp s PHE 85 CO 0.53 -0.81 0.34 0.45 1.83 0.00 0.00 175.22 177.56 1pcp s SER 86 N 2.09 3.58 0.18 6.13 0.15 -0.41 -4.91 113.70 120.51 1pcp s SER 86 Ca 0.09 -3.11 0.21 0.00 0.70 0.00 0.00 55.95 53.84 1pcp s SER 86 Cb -0.16 -1.13 0.88 0.00 -1.71 0.00 0.00 66.02 63.90 1pcp s SER 86 CO -0.35 -0.19 1.65 -0.90 1.20 0.00 0.00 173.24 174.65 1pcp n ASP 87 N 2.91 0.49 -0.38 5.45 5.75 -1.26 -3.42 116.55 126.08 1pcp n ASP 87 Ca 0.16 0.62 0.32 0.00 -0.01 0.00 0.00 54.79 55.87 1pcp n ASP 87 Cb 0.37 -0.72 0.53 0.00 -1.03 0.00 0.00 41.12 40.27 1pcp n ASP 87 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1pcp n THR 88 N -2.03 -0.17 -3.60 2.12 5.66 -1.26 -2.64 114.28 112.36 1pcp n THR 88 Ca 0.03 1.33 -0.40 0.00 -3.05 0.00 0.00 64.05 61.96 1pcp n THR 88 Cb 0.22 -2.19 -0.09 0.00 -1.55 0.00 0.00 70.33 66.72 1pcp n THR 88 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1pcp s ILE 89 N -4.79 4.02 -0.02 1.09 -1.09 -1.22 -5.06 121.20 114.13 1pcp s ILE 89 Ca -0.05 -1.88 -0.30 0.00 -2.23 0.00 0.00 60.65 56.18 1pcp s ILE 89 Cb 0.23 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.40 1pcp s ILE 89 CO 0.63 -0.77 1.21 -2.16 -1.23 0.00 0.00 174.94 172.62 1pcp s PRO 90 N 1.27 4.37 0.00 2.79 0.04 -1.08 -3.25 135.00 139.13 1pcp s PRO 90 Ca 0.07 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1pcp s PRO 90 Cb -0.25 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 30.78 1pcp s PRO 90 CO -0.02 -0.41 0.00 -0.85 0.04 0.00 0.00 177.00 175.77 1pcp n GLU 91 N 4.91 0.00 -4.22 4.56 0.28 -1.26 -5.11 120.64 119.79 1pcp n GLU 91 Ca 0.11 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.98 1pcp n GLU 91 Cb 0.46 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.23 1pcp n GLU 91 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1pcp s VAL 92 N -2.00 0.30 -1.09 3.84 -7.23 -1.20 -5.07 120.40 107.95 1pcp s VAL 92 Ca 0.00 -1.97 -0.22 0.00 -1.81 0.00 0.00 61.98 57.98 1pcp s VAL 92 Cb 0.00 -2.34 -0.00 0.00 0.56 0.00 0.00 36.38 34.60 1pcp s VAL 92 CO 0.00 -0.22 1.76 -2.16 -0.31 0.00 0.00 175.10 174.17 1pcp s PRO 93 N -4.05 3.17 0.37 4.82 0.04 -1.26 -4.77 135.00 133.31 1pcp s PRO 93 Ca 0.32 -1.13 0.16 0.00 0.04 0.00 0.00 61.00 60.39 1pcp s PRO 93 Cb 0.07 -5.30 1.06 0.00 0.04 0.00 0.00 34.50 30.37 1pcp s PRO 93 CO 0.08 -2.93 1.74 -1.49 0.04 0.00 0.00 177.00 174.44 1pcp h TRP 94 N 9.64 0.78 -2.59 0.56 6.55 -1.87 -3.00 115.95 126.01 1pcp h TRP 94 Ca 0.24 0.03 -0.71 0.00 0.95 0.00 0.00 58.89 59.39 1pcp h TRP 94 Cb 0.96 -0.22 -0.19 0.00 -0.86 0.00 0.00 29.16 28.85 1pcp h TRP 94 CO 1.28 0.03 0.80 0.00 -1.05 0.00 0.00 178.44 179.50 1pcp s PHE 96 N 2.08 2.23 -0.24 0.00 -0.71 -0.80 0.12 117.98 120.66 1pcp s PHE 96 Ca 0.32 -0.70 -0.14 0.00 -1.04 0.00 0.00 56.93 55.37 1pcp s PHE 96 Cb -0.05 -1.94 -0.04 0.00 -1.21 0.00 0.00 43.02 39.78 1pcp s PHE 96 CO -0.08 -0.06 0.32 -0.06 -1.34 0.00 0.00 175.22 174.00 1pcp s PHE 97 N -2.67 3.31 -0.47 3.49 0.08 -1.26 -0.38 117.98 120.09 1pcp s PHE 97 Ca 0.36 0.43 -0.28 0.00 0.12 0.00 0.00 56.93 57.56 1pcp s PHE 97 Cb 0.01 -2.47 0.01 0.00 -0.57 0.00 0.00 43.02 39.99 1pcp s PHE 97 CO 0.21 -0.07 1.44 -1.25 -0.10 0.00 0.00 175.22 175.45 1pcp s PRO 98 N 1.52 3.43 0.00 0.24 0.04 -1.26 -4.86 135.00 134.12 1pcp s PRO 98 Ca 0.14 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1pcp s PRO 98 Cb -0.15 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.31 1pcp s PRO 98 CO 0.08 -1.75 0.00 -0.12 0.04 0.00 0.00 177.00 175.24 1pcp n MET 99 N 8.34 0.00 0.00 4.56 0.00 -1.26 -5.06 117.12 123.70 1pcp n MET 99 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.85 1pcp n MET 99 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.71 1pcp n MET 99 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1pcp n SER 100 N 0.00 0.00 0.00 6.12 7.64 -1.26 -5.06 113.62 121.06 1pcp n SER 100 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1pcp n SER 100 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1pcp n SER 100 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1pcp n VAL 101 N -1.22 0.00 -0.43 0.44 0.24 -1.26 -4.85 118.33 111.26 1pcp n VAL 101 Ca 0.00 0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.47 1pcp n VAL 101 Cb 0.00 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 31.94 1pcp n VAL 101 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1pcp n GLU 102 N 0.00 0.00 0.00 7.34 0.28 -1.26 -4.93 120.64 122.07 1pcp n GLU 102 Ca 0.00 0.11 0.01 0.00 -0.16 0.00 0.00 57.16 57.12 1pcp n GLU 102 Cb 0.00 -1.24 0.06 0.00 1.43 0.00 0.00 31.44 31.69 1pcp n GLU 102 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1pcp n ASP 103 N 0.64 0.00 -3.93 -1.84 8.00 -1.26 -4.77 116.55 113.39 1pcp n ASP 103 Ca 0.00 0.18 -0.42 0.00 0.71 0.00 0.00 54.79 55.26 1pcp n ASP 103 Cb 0.05 -0.23 -0.02 0.00 -0.02 0.00 0.00 41.12 40.90 1pcp n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pcp n HIS 105 N -0.17 0.00 -0.97 0.00 1.44 -1.26 -4.72 115.22 109.53 1pcp n HIS 105 Ca 0.15 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.86 1pcp n HIS 105 Cb 0.25 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.36 1pcp n HIS 105 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19