#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 1.65 0.00 3.44 1.02 -1.24 -3.91 119.74 120.70 1pcp s LYS 2 Ca 0.00 -1.21 0.00 0.00 0.02 0.00 0.00 55.97 54.78 1pcp s LYS 2 Cb 0.00 0.51 0.00 0.00 -0.52 0.00 0.00 37.83 37.82 1pcp s LYS 2 CO 0.00 -0.71 0.16 -0.35 -0.92 0.00 0.00 175.35 173.53 1pcp n PRO 3 N -0.41 0.00 0.00 -1.68 -0.04 -1.26 -5.08 135.00 126.52 1pcp n PRO 3 Ca -0.02 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1pcp n PRO 3 Cb 0.61 -0.75 0.00 0.00 -0.04 0.00 0.00 33.50 33.32 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 -0.88 0.00 0.00 0.55 0.00 -1.26 -5.07 120.51 113.85 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 0.00 0.11 0.00 0.00 -1.26 -4.70 120.51 111.66 1pcp n ALA 5 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1pcp n ALA 5 Cb 0.00 0.00 0.36 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.96 2.31 0.07 0.00 1.85 -1.26 -4.34 116.66 113.33 1pcp n ARG 7 Ca -0.01 -2.89 0.00 0.00 -1.00 0.00 0.00 57.85 53.95 1pcp n ARG 7 Cb 0.09 -1.77 0.00 0.00 -1.05 0.00 0.00 32.46 29.73 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 -2.88 7.77 0.00 0.00 3.41 0.23 -3.02 113.62 119.13 1pcp n SER 9 Ca 0.00 -2.83 0.00 0.00 -0.26 0.00 0.00 58.87 55.78 1pcp n SER 9 Cb 0.00 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 62.52 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 2.48 0.00 0.00 4.33 3.00 -1.26 -4.57 116.66 120.64 1pcp n ARG 10 Ca 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.50 1pcp n ARG 10 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.83 1pcp n ARG 10 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1pcp n GLN 11 N 0.00 0.00 -3.69 -0.14 7.27 -1.17 -4.98 117.38 114.67 1pcp n GLN 11 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 56.93 1pcp n GLN 11 Cb 0.00 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.57 1pcp n GLN 11 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1pcp s ASP 12 N -2.81 -0.37 -1.16 1.69 -1.08 -1.26 -5.00 116.67 106.67 1pcp s ASP 12 Ca 0.00 0.43 -0.19 0.00 -0.52 0.00 0.00 52.55 52.27 1pcp s ASP 12 Cb 0.00 0.51 -0.04 0.00 -1.46 0.00 0.00 42.92 41.93 1pcp s ASP 12 CO 0.00 -0.43 1.97 -0.81 0.52 0.00 0.00 175.17 176.42 1pcp n PRO 13 N 1.52 2.26 0.00 4.34 -0.04 -1.26 -4.11 135.00 137.70 1pcp n PRO 13 Ca -0.19 -2.50 0.00 0.00 -0.04 0.00 0.00 63.50 60.77 1pcp n PRO 13 Cb 0.56 -3.32 0.00 0.00 -0.04 0.00 0.00 33.50 30.70 1pcp n PRO 13 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1pcp n LYS 14 N 7.36 0.00 0.00 0.54 4.81 -1.26 -4.94 118.16 124.66 1pcp n LYS 14 Ca 0.49 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 1pcp n LYS 14 Cb 0.43 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.48 1pcp n LYS 14 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1pcp n ASN 15 N 0.00 0.00 -4.71 3.14 3.02 -1.26 -5.14 115.26 110.31 1pcp n ASN 15 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.30 1pcp n ASN 15 Cb 0.00 0.10 -0.08 0.00 -0.61 0.00 0.00 39.78 39.19 1pcp n ASN 15 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1pcp s ARG 16 N -1.21 2.18 0.62 3.52 1.81 -1.26 -5.15 118.95 119.45 1pcp s ARG 16 Ca 0.00 -1.86 0.06 0.00 -1.72 0.00 0.00 55.73 52.21 1pcp s ARG 16 Cb 0.00 -1.93 0.10 0.00 -0.45 0.00 0.00 34.95 32.66 1pcp s ARG 16 CO 0.00 -0.07 0.85 0.08 -0.68 0.00 0.00 175.30 175.48 1pcp s VAL 17 N -2.60 2.17 0.24 3.52 1.01 -1.26 -4.77 120.40 118.71 1pcp s VAL 17 Ca 0.39 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 1pcp s VAL 17 Cb 0.04 -2.31 -0.09 0.00 0.00 0.00 0.00 36.38 34.02 1pcp s VAL 17 CO 0.22 0.00 1.00 0.21 0.00 0.00 0.00 175.10 176.52 1pcp s ASN 18 N -4.68 7.51 -0.41 3.32 3.84 -1.25 -3.93 114.94 119.34 1pcp s ASN 18 Ca 0.63 2.05 0.10 0.00 0.21 0.00 0.00 52.86 55.85 1pcp s ASN 18 Cb -0.06 -2.61 0.42 0.00 -0.55 0.00 0.00 41.25 38.45 1pcp s ASN 18 CO 0.41 0.04 1.03 0.00 -2.79 0.00 0.00 177.10 175.79 1pcp n GLY 20 N -0.29 0.97 3.38 0.00 0.00 -1.26 -4.65 105.19 103.35 1pcp n GLY 20 Ca 0.28 -0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.01 1.78 -2.00 1.61 -0.71 -1.26 -5.01 117.98 111.38 1pcp s PHE 21 Ca 0.00 -0.74 0.22 0.00 -1.04 0.00 0.00 56.93 55.37 1pcp s PHE 21 Cb 0.00 -0.99 1.30 0.00 -1.21 0.00 0.00 43.02 42.12 1pcp s PHE 21 CO 0.00 0.20 1.70 -0.35 -1.34 0.00 0.00 175.22 175.43 1pcp n PRO 22 N -0.49 0.75 -0.09 1.99 -0.04 -1.26 -2.08 135.00 133.78 1pcp n PRO 22 Ca -0.06 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.44 1pcp n PRO 22 Cb 0.63 -1.45 0.08 0.00 -0.04 0.00 0.00 33.50 32.72 1pcp n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pcp n GLY 23 N 0.48 1.95 3.49 0.55 0.00 -1.26 -5.03 105.19 105.38 1pcp n GLY 23 Ca 0.16 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.90 1.66 0.02 -0.61 2.07 -0.88 -5.02 121.20 117.53 1pcp s ILE 24 Ca 0.13 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.37 1pcp s ILE 24 Cb 0.07 -2.26 0.00 0.00 0.13 0.00 0.00 42.46 40.41 1pcp s ILE 24 CO 0.10 0.00 0.00 0.35 -1.91 0.00 0.00 174.94 173.48 1pcp n THR 25 N -4.98 0.12 0.00 4.00 -2.24 -1.26 -5.05 114.28 104.86 1pcp n THR 25 Ca 0.09 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1pcp n THR 25 Cb 0.58 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 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 -2.96 0.00 -0.28 3.42 3.41 -1.26 -4.99 113.62 110.96 1pcp n SER 26 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1pcp n SER 26 Cb 0.35 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.83 -0.46 4.04 3.32 -1.98 2.55 116.42 122.07 1pcp h ASP 27 Ca 0.00 0.26 0.13 0.00 0.02 0.00 0.00 57.03 57.45 1pcp h ASP 27 Cb 0.00 0.79 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 1pcp h ASP 27 CO 0.00 -0.26 0.55 1.56 -1.72 0.00 0.00 179.24 179.37 1pcp h GLN 28 N -0.13 0.00 0.09 3.56 1.08 -1.96 1.32 115.11 119.07 1pcp h GLN 28 Ca 0.11 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 57.01 1pcp h GLN 28 Cb 0.42 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 1pcp h GLN 28 CO -0.72 0.00 -1.58 0.00 -0.95 0.00 0.00 178.83 175.58 1pcp n PHE 30 N -3.38 0.07 0.41 0.00 3.72 0.52 -2.02 117.46 116.78 1pcp n PHE 30 Ca -0.17 -0.04 0.05 0.00 -0.05 0.00 0.00 57.45 57.25 1pcp n PHE 30 Cb 1.04 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.51 1pcp n PHE 30 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1pcp n THR 31 N -0.11 0.00 -0.47 4.37 -1.04 0.35 -3.60 114.28 113.78 1pcp n THR 31 Ca 0.18 -0.25 0.09 0.00 -2.04 0.00 0.00 64.05 62.04 1pcp n THR 31 Cb 0.26 0.86 0.34 0.00 -1.82 0.00 0.00 70.33 69.98 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 -1.37 4.50 0.00 8.00 2.88 -1.16 -4.88 113.62 121.59 1pcp n SER 32 Ca 0.01 -2.38 0.00 0.00 -1.33 0.00 0.00 58.87 55.17 1pcp n SER 32 Cb 0.19 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 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 1.17 0.66 3.98 0.46 0.00 -1.26 -5.01 105.19 105.20 1pcp n GLY 33 Ca 0.25 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.65 -0.17 -0.85 0.00 5.36 -1.23 -2.06 117.98 116.38 1pcp s PHE 36 Ca 0.39 -0.99 -0.02 0.00 -0.96 0.00 0.00 56.93 55.35 1pcp s PHE 36 Cb -0.01 -0.45 0.21 0.00 -0.34 0.00 0.00 43.02 42.43 1pcp s PHE 36 CO 0.23 -0.96 0.73 0.34 -1.46 0.00 0.00 175.22 174.10 1pcp s ASP 37 N 1.27 5.87 0.16 6.13 2.15 0.56 -4.84 116.67 127.96 1pcp s ASP 37 Ca 0.19 -3.61 0.25 0.00 0.43 0.00 0.00 52.55 49.80 1pcp s ASP 37 Cb -0.14 -1.89 0.92 0.00 -0.30 0.00 0.00 42.92 41.50 1pcp s ASP 37 CO -0.03 -0.20 1.75 -1.54 -0.17 0.00 0.00 175.17 174.97 1pcp n SER 38 N 2.47 0.53 0.25 -0.34 3.41 -1.26 -3.25 113.62 115.43 1pcp n SER 38 Ca 0.20 0.58 0.08 0.00 -0.26 0.00 0.00 58.87 59.47 1pcp n SER 38 Cb 0.37 -0.71 0.45 0.00 -0.26 0.00 0.00 64.21 64.06 1pcp n SER 38 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1pcp h GLN 39 N 0.00 0.00 -3.69 4.33 4.20 -1.95 -3.13 115.11 114.87 1pcp h GLN 39 Ca 0.00 0.00 -0.69 0.00 0.06 0.00 0.00 58.65 58.02 1pcp h GLN 39 Cb 0.53 0.00 -0.36 0.00 0.30 0.00 0.00 27.48 27.95 1pcp h GLN 39 CO 0.00 0.00 -0.43 0.08 -0.67 0.00 0.00 178.83 177.81 1pcp s VAL 40 N -3.67 3.49 -2.00 -0.54 1.01 -1.20 -4.90 120.40 112.59 1pcp s VAL 40 Ca -0.02 -2.89 0.10 0.00 0.00 0.00 0.00 61.98 59.17 1pcp s VAL 40 Cb 0.05 -3.31 0.29 0.00 0.00 0.00 0.00 36.38 33.41 1pcp s VAL 40 CO 0.15 -0.84 1.20 -0.81 0.00 0.00 0.00 175.10 174.80 1pcp n PRO 41 N 3.58 0.75 -0.06 2.72 -0.04 -1.19 -2.05 135.00 138.71 1pcp n PRO 41 Ca 0.06 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.59 1pcp n PRO 41 Cb 0.38 -1.21 0.09 0.00 -0.04 0.00 0.00 33.50 32.71 1pcp n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pcp n GLY 42 N 0.36 0.76 1.92 0.55 0.00 -1.26 -5.02 105.19 102.49 1pcp n GLY 42 Ca 0.08 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 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 0.69 0.00 -2.44 1.61 0.24 -0.87 -4.91 118.33 112.65 1pcp n VAL 43 Ca 0.09 -1.15 -0.42 0.00 -2.04 0.00 0.00 64.34 60.82 1pcp n VAL 43 Cb 0.36 0.66 -0.03 0.00 -1.47 0.00 0.00 33.84 33.36 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 -2.56 4.33 -0.06 7.34 0.04 -1.26 -4.89 135.00 137.94 1pcp s PRO 44 Ca 0.19 1.69 -0.23 0.00 0.04 0.00 0.00 61.00 62.69 1pcp s PRO 44 Cb -0.00 -3.59 -0.18 0.00 0.04 0.00 0.00 34.50 30.77 1pcp s PRO 44 CO 0.13 -0.49 0.93 -1.49 0.04 0.00 0.00 177.00 176.12 1pcp h TRP 45 N 7.59 -0.13 -3.57 0.56 6.55 -1.81 -3.41 115.95 121.73 1pcp h TRP 45 Ca -0.33 -0.00 -0.66 0.00 0.95 0.00 0.00 58.89 58.85 1pcp h TRP 45 Cb 1.15 0.04 -0.15 0.00 -0.86 0.00 0.00 29.16 29.34 1pcp h TRP 45 CO 0.74 0.39 0.12 0.00 -1.05 0.00 0.00 178.44 178.64 1pcp n PHE 47 N 6.27 0.00 -4.95 0.00 1.16 -0.88 0.20 117.46 119.27 1pcp n PHE 47 Ca -0.02 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.24 1pcp n PHE 47 Cb 0.48 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.21 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 1.16 2.66 1.10 3.97 0.00 -1.25 0.14 119.74 127.52 1pcp s LYS 48 Ca 0.00 -0.74 -0.19 0.00 0.00 0.00 0.00 55.97 55.05 1pcp s LYS 48 Cb 0.00 -2.38 0.26 0.00 0.00 0.00 0.00 37.83 35.72 1pcp s LYS 48 CO 0.00 0.50 1.21 -0.35 0.00 0.00 0.00 175.35 176.71 1pcp n PRO 49 N 2.65 -2.21 -3.17 1.78 -0.04 -1.26 -4.88 135.00 127.88 1pcp n PRO 49 Ca -0.17 -1.89 -0.25 0.00 -0.04 0.00 0.00 63.50 61.15 1pcp n PRO 49 Cb 0.52 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.43 1pcp n PRO 49 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1pcp n LEU 50 N 0.00 2.91 0.00 1.53 -0.00 -1.25 -5.09 117.00 115.10 1pcp n LEU 50 Ca 0.16 -5.33 -0.06 0.00 -0.00 0.00 0.00 56.01 50.78 1pcp n LEU 50 Cb 0.58 -0.16 0.04 0.00 -0.00 0.00 0.00 43.42 43.88 1pcp n LEU 50 CO 0.41 2.21 0.14 -0.81 -0.00 0.00 0.00 177.39 179.34 1pcp n PRO 51 N 0.43 -0.82 -3.30 1.47 -0.04 -1.26 -4.62 135.00 126.86 1pcp n PRO 51 Ca 0.28 -0.35 -0.13 0.00 -0.04 0.00 0.00 63.50 63.26 1pcp n PRO 51 Cb 0.47 -0.28 -0.04 0.00 -0.04 0.00 0.00 33.50 33.61 1pcp n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pcp n ALA 52 N -3.25 0.34 -1.55 0.55 0.00 -1.26 -5.00 120.51 110.34 1pcp n ALA 52 Ca -0.04 -1.13 -0.17 0.00 0.00 0.00 0.00 53.44 52.11 1pcp n ALA 52 Cb 0.11 0.81 -0.08 0.00 0.00 0.00 0.00 19.45 20.28 1pcp n ALA 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1pcp n GLN 53 N -0.46 0.56 -0.25 0.00 6.02 -1.26 -2.58 117.38 119.40 1pcp n GLN 53 Ca -0.01 -0.68 0.00 0.00 -0.01 0.00 0.00 57.00 56.30 1pcp n GLN 53 Cb 0.34 -3.42 0.00 0.00 1.02 0.00 0.00 30.24 28.17 1pcp n GLN 53 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1pcp n GLU 54 N 8.56 0.00 0.00 -1.09 4.71 -1.26 -4.82 120.64 126.74 1pcp n GLU 54 Ca 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.63 1pcp n GLU 54 Cb 0.41 -4.09 0.00 0.00 -1.01 0.00 0.00 31.44 26.76 1pcp n GLU 54 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1pcp n SER 55 N 0.00 0.00 -2.86 1.62 7.64 -1.07 -4.86 113.62 114.10 1pcp n SER 55 Ca 0.00 0.18 -0.13 0.00 1.01 0.00 0.00 58.87 59.93 1pcp n SER 55 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 1pcp n SER 55 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1pcp n GLU 56 N -0.39 -3.93 0.00 1.43 1.02 -1.26 -4.62 120.64 112.88 1pcp n GLU 56 Ca 0.00 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 1pcp n GLU 56 Cb 0.00 -5.00 0.00 0.00 -0.02 0.00 0.00 31.44 26.42 1pcp n GLU 56 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1pcp n GLU 57 N -3.21 0.00 -0.07 3.49 0.28 -1.26 -4.93 120.64 114.94 1pcp n GLU 57 Ca -0.16 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 56.90 1pcp n GLU 57 Cb 0.62 0.00 0.26 0.00 1.43 0.00 0.00 31.44 33.75 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 -1.80 3.14 0.00 0.00 1.01 -1.26 -4.97 120.40 116.52 1pcp s VAL 59 Ca 0.21 0.86 0.00 0.00 0.00 0.00 0.00 61.98 63.05 1pcp s VAL 59 Cb 0.11 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1pcp s VAL 59 CO 0.16 0.09 0.00 1.15 0.00 0.00 0.00 175.10 176.50 1pcp n MET 60 N 3.48 0.00 -1.90 2.72 0.00 -1.26 -4.88 117.12 115.28 1pcp n MET 60 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.49 1pcp n MET 60 Cb 0.42 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.65 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 3.61 0.55 3.17 1.11 -1.26 -4.82 119.66 120.02 1pcp s GLN 61 Ca 0.00 0.74 0.33 0.00 0.01 0.00 0.00 55.36 56.44 1pcp s GLN 61 Cb 0.00 -2.09 1.48 0.00 -1.01 0.00 0.00 33.01 31.39 1pcp s GLN 61 CO 0.00 -0.55 1.83 -0.24 0.01 0.00 0.00 175.29 176.34 1pcp h VAL 62 N -0.27 0.43 -0.57 1.09 3.04 -2.00 1.41 116.25 119.38 1pcp h VAL 62 Ca -0.44 0.00 -0.29 0.00 -1.01 0.00 0.00 66.70 64.95 1pcp h VAL 62 Cb 1.19 0.48 -0.18 0.00 -2.01 0.00 0.00 31.29 30.78 1pcp h VAL 62 CO 0.62 0.00 0.37 -1.54 -1.01 0.00 0.00 177.57 176.01 1pcp n SER 63 N -4.07 3.45 0.07 3.17 3.41 -1.26 -4.15 113.62 114.24 1pcp n SER 63 Ca 0.19 -2.91 0.00 0.00 -0.26 0.00 0.00 58.87 55.89 1pcp n SER 63 Cb 1.04 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1pcp n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pcp n ALA 64 N -0.43 3.00 -0.91 7.33 0.00 0.48 -5.08 120.51 124.90 1pcp n ALA 64 Ca 0.34 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.48 1pcp n ALA 64 Cb 1.16 0.14 0.02 0.00 0.00 0.00 0.00 19.45 20.78 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 -3.32 0.00 0.00 0.00 1.85 -1.13 -4.98 116.66 109.07 1pcp n ARG 65 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1pcp n ARG 65 Cb 0.00 -0.81 0.00 0.00 -1.05 0.00 0.00 32.46 30.60 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 1.63 0.00 0.00 2.89 4.76 -1.26 -5.03 118.16 121.15 1pcp n LYS 66 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1pcp n LYS 66 Cb 0.42 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.61 1pcp n LYS 66 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1pcp n ASN 67 N 0.00 0.00 0.00 4.39 5.15 -1.26 -4.74 115.26 118.80 1pcp n ASN 67 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1pcp n ASN 67 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1pcp n ASN 67 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pcp n GLY 69 N 4.09 -1.52 3.39 0.00 0.00 -1.14 -5.02 105.19 104.99 1pcp n GLY 69 Ca 0.00 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 2.02 -1.14 1.61 1.13 -1.26 -4.92 117.35 114.79 1pcp s TYR 70 Ca 0.00 -0.43 -0.22 0.00 -1.41 0.00 0.00 57.07 55.02 1pcp s TYR 70 Cb 0.00 -0.96 -0.00 0.00 -1.10 0.00 0.00 41.96 39.90 1pcp s TYR 70 CO 0.00 0.47 1.78 -1.25 -2.51 0.00 0.00 175.55 174.04 1pcp s PRO 71 N -3.10 3.19 0.00 -3.49 0.04 -1.26 -2.40 135.00 127.98 1pcp s PRO 71 Ca 0.22 -1.27 0.00 0.00 0.04 0.00 0.00 61.00 59.98 1pcp s PRO 71 Cb -0.05 -5.33 0.00 0.00 0.04 0.00 0.00 34.50 29.16 1pcp s PRO 71 CO 0.09 -2.99 0.00 0.41 0.04 0.00 0.00 177.00 174.55 1pcp n GLY 72 N 6.06 0.45 3.21 0.56 0.00 -1.26 -5.15 105.19 109.06 1pcp n GLY 72 Ca 0.43 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.00 -1.98 -0.61 3.06 -1.01 -4.97 119.36 113.86 1pcp n ILE 73 Ca 0.00 -0.31 -0.30 0.00 -2.50 0.00 0.00 62.75 59.65 1pcp n ILE 73 Cb 0.00 -0.33 0.21 0.00 0.54 0.00 0.00 39.64 40.05 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 0.88 0.17 0.00 9.51 7.64 -1.26 -4.93 113.62 125.62 1pcp n SER 74 Ca 0.02 -1.53 0.00 0.00 1.01 0.00 0.00 58.87 58.37 1pcp n SER 74 Cb 0.57 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 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 -3.82 0.00 -0.37 1.43 -0.04 -1.26 -2.33 135.00 128.61 1pcp n PRO 75 Ca 0.17 0.00 0.32 0.00 -0.04 0.00 0.00 63.50 63.95 1pcp n PRO 75 Cb 0.59 -0.12 0.64 0.00 -0.04 0.00 0.00 33.50 34.57 1pcp n PRO 75 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1pcp h GLU 76 N 0.00 0.17 -0.03 0.54 4.11 -1.97 2.19 114.58 119.58 1pcp h GLU 76 Ca 0.00 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.38 1pcp h GLU 76 Cb 0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1pcp h GLU 76 CO 0.00 0.11 -0.18 -0.44 0.07 0.00 0.00 179.01 178.57 1pcp h ASP 77 N 0.17 0.05 0.00 3.06 5.19 -1.98 -0.31 116.42 122.60 1pcp h ASP 77 Ca 0.65 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 57.05 1pcp h ASP 77 Cb 2.11 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 41.61 1pcp h ASP 77 CO -0.21 0.24 0.00 0.00 -3.12 0.00 0.00 179.24 176.15 1pcp n ALA 79 N -1.10 1.24 -0.03 0.00 0.00 -0.75 -0.33 120.51 119.54 1pcp n ALA 79 Ca 0.00 0.65 -0.01 0.00 0.00 0.00 0.00 53.44 54.08 1pcp n ALA 79 Cb 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 1pcp n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pcp n ALA 80 N -2.61 -0.05 -2.69 0.00 0.00 -0.13 -4.00 120.51 111.04 1pcp n ALA 80 Ca 0.34 0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.76 1pcp n ALA 80 Cb 1.38 0.40 0.07 0.00 0.00 0.00 0.00 19.45 21.31 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 -3.08 1.16 -1.30 0.00 3.00 0.35 -4.88 116.66 111.91 1pcp n ARG 81 Ca 0.00 -2.59 0.02 0.00 -0.01 0.00 0.00 57.85 55.27 1pcp n ARG 81 Cb 0.02 -0.70 0.01 0.00 0.00 0.00 0.00 32.46 31.78 1pcp n ARG 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1pcp n ASN 82 N -0.29 0.67 -0.09 0.55 5.03 0.56 -5.00 115.26 116.68 1pcp n ASN 82 Ca 0.04 -1.98 0.00 0.00 0.87 0.00 0.00 54.58 53.50 1pcp n ASN 82 Cb 0.83 -0.23 0.00 0.00 -1.02 0.00 0.00 39.78 39.36 1pcp n ASN 82 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pcp s PHE 85 N -2.79 0.01 -0.32 0.00 5.36 -1.23 -1.72 117.98 117.28 1pcp s PHE 85 Ca 0.64 -0.86 0.02 0.00 -0.96 0.00 0.00 56.93 55.77 1pcp s PHE 85 Cb -0.20 -0.63 0.10 0.00 -0.34 0.00 0.00 43.02 41.95 1pcp s PHE 85 CO 0.58 -0.90 0.06 0.45 -1.46 0.00 0.00 175.22 173.95 1pcp s SER 86 N 1.70 4.40 0.00 6.13 0.15 0.23 -4.93 113.70 121.37 1pcp s SER 86 Ca 0.14 -1.87 0.30 0.00 0.70 0.00 0.00 55.95 55.22 1pcp s SER 86 Cb -0.17 -1.28 1.56 0.00 -1.71 0.00 0.00 66.02 64.42 1pcp s SER 86 CO -0.16 -0.38 2.06 -0.90 1.20 0.00 0.00 173.24 175.05 1pcp n ASP 87 N 4.53 0.15 -0.16 5.45 5.68 -1.26 -4.15 116.55 126.79 1pcp n ASP 87 Ca 0.00 -0.54 0.13 0.00 -0.50 0.00 0.00 54.79 53.88 1pcp n ASP 87 Cb 0.42 -0.14 0.24 0.00 -1.14 0.00 0.00 41.12 40.50 1pcp n ASP 87 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1pcp n THR 88 N -1.08 -0.20 -3.71 2.12 5.66 -1.26 -2.68 114.28 113.13 1pcp n THR 88 Ca 0.17 1.01 -0.38 0.00 -3.05 0.00 0.00 64.05 61.80 1pcp n THR 88 Cb 0.21 -1.59 -0.11 0.00 -1.55 0.00 0.00 70.33 67.29 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 -4.91 3.82 0.27 1.09 1.09 -1.26 -5.08 121.20 116.22 1pcp s ILE 89 Ca -0.05 -1.43 -0.30 0.00 -1.10 0.00 0.00 60.65 57.77 1pcp s ILE 89 Cb 0.16 -3.32 -0.09 0.00 -1.06 0.00 0.00 42.46 38.15 1pcp s ILE 89 CO 0.38 -0.40 1.08 -2.16 -0.10 0.00 0.00 174.94 173.74 1pcp s PRO 90 N 1.35 4.66 0.00 2.79 0.04 -1.09 -3.72 135.00 139.03 1pcp s PRO 90 Ca 0.02 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1pcp s PRO 90 Cb -0.22 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1pcp s PRO 90 CO 0.01 0.23 0.00 -0.85 0.04 0.00 0.00 177.00 176.43 1pcp n GLU 91 N 1.33 0.00 -3.98 4.56 0.28 -1.26 -5.08 120.64 116.48 1pcp n GLU 91 Ca -0.01 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.88 1pcp n GLU 91 Cb 0.45 -1.16 -0.03 0.00 1.43 0.00 0.00 31.44 32.13 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 -2.01 0.00 -0.81 3.84 -7.23 -1.24 -5.09 120.40 107.85 1pcp s VAL 92 Ca 0.00 -1.37 -0.25 0.00 -1.81 0.00 0.00 61.98 58.54 1pcp s VAL 92 Cb 0.00 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.44 1pcp s VAL 92 CO 0.00 0.00 1.62 -2.16 -0.31 0.00 0.00 175.10 174.25 1pcp s PRO 93 N -3.29 2.99 0.28 4.82 0.04 -1.26 -4.81 135.00 133.78 1pcp s PRO 93 Ca 0.23 -0.23 -0.02 0.00 0.04 0.00 0.00 61.00 61.02 1pcp s PRO 93 Cb -0.02 -4.70 0.39 0.00 0.04 0.00 0.00 34.50 30.22 1pcp s PRO 93 CO 0.14 -2.58 1.89 -1.49 0.04 0.00 0.00 177.00 174.99 1pcp h TRP 94 N 11.57 0.99 -2.50 0.56 6.55 -1.88 -3.33 115.95 127.90 1pcp h TRP 94 Ca -0.08 -0.03 -0.67 0.00 0.95 0.00 0.00 58.89 59.06 1pcp h TRP 94 Cb 1.06 -0.31 -0.17 0.00 -0.86 0.00 0.00 29.16 28.88 1pcp h TRP 94 CO 1.16 0.71 0.69 0.00 -1.05 0.00 0.00 178.44 179.96 1pcp s PHE 96 N 3.18 2.57 0.38 0.00 -0.71 -0.70 0.18 117.98 122.88 1pcp s PHE 96 Ca 0.28 -0.59 -0.12 0.00 -1.04 0.00 0.00 56.93 55.46 1pcp s PHE 96 Cb -0.10 -1.84 -0.07 0.00 -1.21 0.00 0.00 43.02 39.80 1pcp s PHE 96 CO -0.02 0.31 0.75 -0.06 -1.34 0.00 0.00 175.22 174.87 1pcp s PHE 97 N -2.62 3.44 -0.36 3.49 0.08 -1.26 -0.09 117.98 120.66 1pcp s PHE 97 Ca 0.38 1.08 -0.29 0.00 0.12 0.00 0.00 56.93 58.23 1pcp s PHE 97 Cb 0.05 -2.46 0.00 0.00 -0.57 0.00 0.00 43.02 40.05 1pcp s PHE 97 CO 0.21 -0.04 1.38 -1.25 -0.10 0.00 0.00 175.22 175.42 1pcp s PRO 98 N -3.58 3.71 -1.06 0.24 0.04 -1.26 -4.80 135.00 128.29 1pcp s PRO 98 Ca 0.52 1.09 -0.19 0.00 0.04 0.00 0.00 61.00 62.45 1pcp s PRO 98 Cb -0.10 -3.97 0.10 0.00 0.04 0.00 0.00 34.50 30.56 1pcp s PRO 98 CO 0.27 -1.39 1.39 1.41 0.04 0.00 0.00 177.00 178.72 1pcp s MET 99 N 4.65 3.73 0.86 4.56 1.75 -1.26 -4.99 119.30 128.60 1pcp s MET 99 Ca 0.60 -1.68 -0.17 0.00 -1.25 0.00 0.00 55.69 53.19 1pcp s MET 99 Cb -0.15 -5.20 -0.14 0.00 2.84 0.00 0.00 34.83 32.18 1pcp s MET 99 CO 0.29 -2.01 -0.53 -1.13 -0.65 0.00 0.00 175.02 170.99 1pcp n SER 100 N 7.56 -5.10 0.00 1.11 3.41 -1.26 -4.93 113.62 114.41 1pcp n SER 100 Ca 0.33 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 1pcp n SER 100 Cb 0.48 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1pcp n SER 100 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1pcp n VAL 101 N -2.29 0.00 0.00 -3.33 0.24 -1.26 -4.59 118.33 107.10 1pcp n VAL 101 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1pcp n VAL 101 Cb 0.53 -0.49 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 1pcp n VAL 101 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1pcp n GLU 102 N 0.00 0.00 0.12 7.34 2.13 -1.26 -3.45 120.64 125.52 1pcp n GLU 102 Ca 0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 1pcp n GLU 102 Cb 0.00 0.00 0.47 0.00 0.27 0.00 0.00 31.44 32.18 1pcp n GLU 102 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1pcp n ASP 103 N 2.35 0.70 -4.82 4.31 2.03 -1.26 -4.63 116.55 115.23 1pcp n ASP 103 Ca 0.00 0.64 -0.36 0.00 0.52 0.00 0.00 54.79 55.59 1pcp n ASP 103 Cb 0.00 -0.80 -0.07 0.00 -0.72 0.00 0.00 41.12 39.53 1pcp n ASP 103 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pcp s HIS 105 N -0.49 0.12 0.00 0.00 -3.43 -1.26 -4.85 115.29 105.38 1pcp s HIS 105 Ca 0.12 -0.76 0.00 0.00 -0.80 0.00 0.00 55.06 53.62 1pcp s HIS 105 Cb -0.12 0.82 0.00 0.00 -1.43 0.00 0.00 32.58 31.85 1pcp s HIS 105 CO 0.02 -1.46 0.27 0.66 -2.00 0.00 0.00 174.74 172.23