#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 0.58 -0.05 3.49 -0.14 -1.26 -3.79 119.74 118.57 1pcp s LYS 2 Ca 0.00 -0.47 -0.08 0.00 -1.36 0.00 0.00 55.97 54.07 1pcp s LYS 2 Cb 0.00 -0.51 -0.04 0.00 -1.68 0.00 0.00 37.83 35.60 1pcp s LYS 2 CO 0.00 0.13 0.36 -1.00 -0.76 0.00 0.00 175.35 174.08 1pcp h PRO 3 N 5.39 -0.27 0.00 -1.68 0.13 -1.89 -3.49 132.00 130.18 1pcp h PRO 3 Ca -0.32 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1pcp h PRO 3 Cb 1.19 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1pcp h PRO 3 CO 0.46 -0.18 0.00 0.00 -0.23 0.00 0.00 178.00 178.05 1pcp n ALA 4 N -2.62 0.00 0.22 -0.56 0.00 -1.26 -4.98 120.51 111.30 1pcp n ALA 4 Ca -0.03 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.58 1pcp n ALA 4 Cb 0.11 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.35 1pcp n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pcp h ALA 5 N 0.00 1.71 0.13 0.00 0.00 -1.93 -0.46 119.26 118.72 1pcp h ALA 5 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1pcp h ALA 5 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1pcp h ALA 5 CO 0.00 -0.47 -0.39 0.00 0.00 0.00 0.00 179.25 178.38 1pcp n ARG 7 N -5.46 2.03 0.00 0.00 1.85 -0.18 -3.73 116.66 111.17 1pcp n ARG 7 Ca -0.07 -1.81 0.00 0.00 -1.00 0.00 0.00 57.85 54.97 1pcp n ARG 7 Cb 0.37 -1.82 0.00 0.00 -1.05 0.00 0.00 32.46 29.95 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 -2.13 5.67 0.00 0.00 3.41 0.42 -3.01 113.62 117.98 1pcp n SER 9 Ca 0.00 -2.65 0.00 0.00 -0.26 0.00 0.00 58.87 55.96 1pcp n SER 9 Cb 0.00 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 62.73 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 1.51 0.00 0.00 4.33 0.63 -1.26 -4.99 116.66 116.88 1pcp n ARG 10 Ca 0.25 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.18 1pcp n ARG 10 Cb 0.65 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.56 1pcp n ARG 10 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1pcp n GLN 11 N 0.00 0.00 -3.69 -0.14 -0.06 -1.16 -4.52 117.38 107.81 1pcp n GLN 11 Ca 0.00 0.04 -0.14 0.00 -2.00 0.00 0.00 57.00 54.90 1pcp n GLN 11 Cb 0.00 -0.59 -0.08 0.00 -4.06 0.00 0.00 30.24 25.51 1pcp n GLN 11 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1pcp s ASP 12 N -2.42 -0.45 0.00 1.69 -1.08 -1.26 -4.39 116.67 108.76 1pcp s ASP 12 Ca 0.00 0.68 0.00 0.00 -0.52 0.00 0.00 52.55 52.71 1pcp s ASP 12 Cb 0.00 0.72 0.00 0.00 -1.46 0.00 0.00 42.92 42.18 1pcp s ASP 12 CO 0.00 -0.33 0.66 -0.81 0.52 0.00 0.00 175.17 175.20 1pcp n PRO 13 N 2.02 0.75 0.00 4.34 -0.04 -1.26 -4.40 135.00 136.40 1pcp n PRO 13 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1pcp n PRO 13 Cb 0.56 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 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 0.50 0.00 0.00 0.54 5.02 -1.26 -5.08 118.16 117.87 1pcp n LYS 14 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1pcp n LYS 14 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.34 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 2.27 0.00 4.39 5.03 -1.26 -5.01 115.26 120.68 1pcp n ASN 15 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1pcp n ASN 15 Cb 0.00 0.02 0.00 0.00 -1.02 0.00 0.00 39.78 38.78 1pcp n ASN 15 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1pcp n ARG 16 N -2.01 -0.04 -4.12 3.52 3.00 -1.26 -4.97 116.66 110.78 1pcp n ARG 16 Ca 0.00 0.01 -0.36 0.00 -0.00 0.00 0.00 57.85 57.50 1pcp n ARG 16 Cb 0.28 -3.18 -0.08 0.00 0.00 0.00 0.00 32.46 29.47 1pcp n ARG 16 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1pcp s VAL 17 N -2.94 4.87 0.05 5.15 1.01 -1.26 -4.90 120.40 122.39 1pcp s VAL 17 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 1pcp s VAL 17 Cb 0.00 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1pcp s VAL 17 CO 0.00 0.59 -0.04 0.54 0.00 0.00 0.00 175.10 176.19 1pcp s ASN 18 N -0.77 0.58 -0.30 3.32 2.20 -1.25 -4.63 114.94 114.08 1pcp s ASN 18 Ca 0.13 -0.85 0.07 0.00 -0.94 0.00 0.00 52.86 51.26 1pcp s ASN 18 Cb -0.12 0.15 0.46 0.00 -2.00 0.00 0.00 41.25 39.74 1pcp s ASN 18 CO 0.03 -0.48 1.24 0.00 -2.94 0.00 0.00 177.10 174.95 1pcp n GLY 20 N -0.76 1.52 3.31 0.00 0.00 -1.25 -4.76 105.19 103.24 1pcp n GLY 20 Ca 0.43 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.51 1.52 -2.00 1.61 -0.71 -1.26 -4.99 117.98 111.64 1pcp s PHE 21 Ca 0.00 -0.79 0.21 0.00 -1.04 0.00 0.00 56.93 55.31 1pcp s PHE 21 Cb 0.00 -0.82 1.26 0.00 -1.21 0.00 0.00 43.02 42.25 1pcp s PHE 21 CO 0.00 0.09 1.67 -0.35 -1.34 0.00 0.00 175.22 175.30 1pcp n PRO 22 N -0.35 0.75 -0.09 1.99 -0.04 -1.26 -2.07 135.00 133.92 1pcp n PRO 22 Ca -0.07 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.42 1pcp n PRO 22 Cb 0.62 -1.44 0.09 0.00 -0.04 0.00 0.00 33.50 32.73 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 0.47 2.17 3.51 0.55 0.00 -1.26 -5.03 105.19 105.60 1pcp n GLY 23 Ca 0.16 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.93 2.00 -0.19 -0.61 2.07 -0.88 -4.96 121.20 117.71 1pcp s ILE 24 Ca 0.14 0.00 0.14 0.00 -1.41 0.00 0.00 60.65 59.52 1pcp s ILE 24 Cb 0.08 -2.13 0.40 0.00 0.13 0.00 0.00 42.46 40.93 1pcp s ILE 24 CO 0.10 -0.00 1.25 0.35 -1.91 0.00 0.00 174.94 174.73 1pcp n THR 25 N -4.85 2.15 0.00 4.00 -2.24 -1.26 -5.00 114.28 107.08 1pcp n THR 25 Ca 0.03 -2.71 0.00 0.00 -2.27 0.00 0.00 64.05 59.10 1pcp n THR 25 Cb 0.55 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 -1.18 0.00 -0.13 3.42 3.41 -1.26 -4.24 113.62 113.63 1pcp n SER 26 Ca 0.20 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.77 1pcp n SER 26 Cb 0.74 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.65 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 -0.77 -0.46 4.04 3.32 -1.96 2.48 116.42 123.07 1pcp h ASP 27 Ca 0.00 0.11 0.13 0.00 0.02 0.00 0.00 57.03 57.30 1pcp h ASP 27 Cb 0.00 0.34 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1pcp h ASP 27 CO 0.00 -0.10 0.68 1.56 -1.72 0.00 0.00 179.24 179.67 1pcp h GLN 28 N -0.03 0.00 0.17 3.56 1.08 -1.97 1.59 115.11 119.50 1pcp h GLN 28 Ca 0.05 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.91 1pcp h GLN 28 Cb 0.17 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1pcp h GLN 28 CO -0.32 0.00 -1.67 0.00 -0.95 0.00 0.00 178.83 175.90 1pcp h PHE 30 N 0.10 0.00 -0.01 0.00 0.04 1.35 -1.63 116.94 116.78 1pcp h PHE 30 Ca -0.31 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.46 1pcp h PHE 30 Cb 2.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.23 1pcp h PHE 30 CO 0.09 0.00 -0.43 2.41 -0.60 0.00 0.00 178.31 179.78 1pcp n THR 31 N -2.69 0.00 -0.59 -1.55 -1.04 0.13 -4.09 114.28 104.45 1pcp n THR 31 Ca 0.02 -0.29 0.03 0.00 -2.04 0.00 0.00 64.05 61.78 1pcp n THR 31 Cb 0.31 1.16 0.32 0.00 -1.82 0.00 0.00 70.33 70.30 1pcp n THR 31 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1pcp n SER 32 N -0.34 4.81 0.00 8.00 7.64 -0.79 -4.85 113.62 128.09 1pcp n SER 32 Ca 0.06 -2.82 0.00 0.00 1.01 0.00 0.00 58.87 57.12 1pcp n SER 32 Cb 0.34 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 1pcp n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pcp n GLY 33 N 0.39 0.33 3.82 0.23 0.00 -1.24 -4.96 105.19 103.77 1pcp n GLY 33 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.73 -0.46 -0.48 0.00 5.36 -1.25 -2.33 117.98 116.09 1pcp s PHE 36 Ca 0.30 -0.27 0.04 0.00 -0.96 0.00 0.00 56.93 56.04 1pcp s PHE 36 Cb 0.06 -0.43 0.12 0.00 -0.34 0.00 0.00 43.02 42.44 1pcp s PHE 36 CO 0.16 -0.94 0.21 0.34 -1.46 0.00 0.00 175.22 173.53 1pcp s ASP 37 N 2.18 4.41 0.00 6.13 2.15 0.32 -4.89 116.67 126.96 1pcp s ASP 37 Ca 0.11 -2.81 0.28 0.00 0.43 0.00 0.00 52.55 50.56 1pcp s ASP 37 Cb -0.14 -1.63 1.12 0.00 -0.30 0.00 0.00 42.92 41.97 1pcp s ASP 37 CO -0.27 -0.27 1.80 -0.24 -0.17 0.00 0.00 175.17 176.03 1pcp n SER 38 N 3.38 0.41 0.24 -0.34 2.88 -1.26 -3.82 113.62 115.10 1pcp n SER 38 Ca 0.05 -0.36 0.08 0.00 -1.33 0.00 0.00 58.87 57.31 1pcp n SER 38 Cb 0.34 -0.09 0.42 0.00 -0.75 0.00 0.00 64.21 64.13 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 0.40 0.00 -4.07 -1.46 4.20 -1.93 -3.19 115.11 109.07 1pcp h GLN 39 Ca 0.00 0.00 -0.70 0.00 0.06 0.00 0.00 58.65 58.01 1pcp h GLN 39 Cb 0.40 0.00 -0.35 0.00 0.30 0.00 0.00 27.48 27.83 1pcp h GLN 39 CO 0.00 0.00 -0.46 0.08 -0.67 0.00 0.00 178.83 177.78 1pcp s VAL 40 N -3.61 3.50 0.24 -0.54 1.01 -1.25 -5.08 120.40 114.68 1pcp s VAL 40 Ca -0.02 -2.47 -0.30 0.00 0.00 0.00 0.00 61.98 59.20 1pcp s VAL 40 Cb 0.04 -3.34 -0.09 0.00 0.00 0.00 0.00 36.38 32.99 1pcp s VAL 40 CO 0.14 -0.78 1.09 -2.16 0.00 0.00 0.00 175.10 173.39 1pcp s PRO 41 N 0.59 4.64 0.00 2.72 0.04 -1.21 -3.13 135.00 138.66 1pcp s PRO 41 Ca 0.12 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1pcp s PRO 41 Cb -0.22 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1pcp s PRO 41 CO -0.04 0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.60 1pcp n GLY 42 N 1.50 0.36 3.55 0.56 0.00 -1.26 -5.05 105.19 104.85 1pcp n GLY 42 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1pcp n GLY 42 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pcp s VAL 43 N -2.10 0.74 -0.15 1.61 -7.23 -1.18 -5.04 120.40 107.05 1pcp s VAL 43 Ca 0.00 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.88 1pcp s VAL 43 Cb 0.00 -2.36 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 1pcp s VAL 43 CO 0.00 0.00 1.27 -2.16 -0.31 0.00 0.00 175.10 173.90 1pcp s PRO 44 N -3.75 4.24 -0.10 4.82 0.04 -1.26 -4.92 135.00 134.08 1pcp s PRO 44 Ca 0.22 1.68 -0.28 0.00 0.04 0.00 0.00 61.00 62.67 1pcp s PRO 44 Cb 0.03 -3.75 -0.25 0.00 0.04 0.00 0.00 34.50 30.57 1pcp s PRO 44 CO 0.13 -0.68 0.91 -1.49 0.04 0.00 0.00 177.00 175.90 1pcp h TRP 45 N 8.16 0.05 -3.53 0.56 6.55 -1.85 -3.42 115.95 122.46 1pcp h TRP 45 Ca -0.28 -0.03 -0.62 0.00 0.95 0.00 0.00 58.89 58.91 1pcp h TRP 45 Cb 1.11 -0.00 -0.12 0.00 -0.86 0.00 0.00 29.16 29.29 1pcp h TRP 45 CO 0.79 0.90 0.26 0.00 -1.05 0.00 0.00 178.44 179.34 1pcp n PHE 47 N 6.17 0.00 -3.85 0.00 1.16 -0.98 0.97 117.46 120.93 1pcp n PHE 47 Ca 0.01 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.23 1pcp n PHE 47 Cb 0.48 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.22 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 -1.02 3.21 0.85 3.97 0.00 -1.26 -1.96 119.74 123.53 1pcp s LYS 48 Ca 0.00 -0.76 -0.14 0.00 0.00 0.00 0.00 55.97 55.07 1pcp s LYS 48 Cb 0.00 -3.17 0.20 0.00 0.00 0.00 0.00 37.83 34.87 1pcp s LYS 48 CO 0.00 -0.32 0.94 -0.35 0.00 0.00 0.00 175.35 175.62 1pcp n PRO 49 N 4.81 -1.81 -3.34 1.78 -0.04 -1.26 -5.00 135.00 130.14 1pcp n PRO 49 Ca -0.16 -1.48 -0.26 0.00 -0.04 0.00 0.00 63.50 61.56 1pcp n PRO 49 Cb 0.49 -1.16 -0.08 0.00 -0.04 0.00 0.00 33.50 32.71 1pcp n PRO 49 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1pcp n LEU 50 N 0.00 2.80 -4.76 1.53 4.32 -1.25 -5.09 117.00 114.55 1pcp n LEU 50 Ca 0.12 -5.25 -0.40 0.00 -0.02 0.00 0.00 56.01 50.47 1pcp n LEU 50 Cb 0.45 -0.30 -0.04 0.00 -1.62 0.00 0.00 43.42 41.91 1pcp n LEU 50 CO 0.32 2.08 0.77 -2.16 -1.22 0.00 0.00 177.39 177.17 1pcp s PRO 51 N -2.17 4.58 0.37 3.23 0.04 -1.26 -4.56 135.00 135.23 1pcp s PRO 51 Ca 0.39 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1pcp s PRO 51 Cb 0.16 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.61 1pcp s PRO 51 CO -0.04 0.18 0.02 0.00 0.04 0.00 0.00 177.00 177.20 1pcp n ALA 52 N 1.01 0.34 -0.98 8.56 0.00 -1.26 -5.09 120.51 123.08 1pcp n ALA 52 Ca -0.00 -1.66 -0.36 0.00 0.00 0.00 0.00 53.44 51.41 1pcp n ALA 52 Cb 0.46 0.89 0.04 0.00 0.00 0.00 0.00 19.45 20.83 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 -0.96 0.00 0.00 0.00 6.02 -1.26 -4.64 117.38 116.54 1pcp n GLN 53 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 1pcp n GLN 53 Cb 0.47 -0.98 0.00 0.00 1.02 0.00 0.00 30.24 30.75 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 2.45 0.00 -0.31 -1.09 4.71 -1.26 -2.09 120.64 123.05 1pcp n GLU 54 Ca -0.02 0.34 0.12 0.00 -0.01 0.00 0.00 57.16 57.58 1pcp n GLU 54 Cb 0.63 -1.50 0.35 0.00 -1.01 0.00 0.00 31.44 29.91 1pcp n GLU 54 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 1pcp h SER 55 N 0.00 0.72 -6.68 1.62 0.02 -2.05 -3.45 113.55 103.73 1pcp h SER 55 Ca 0.00 0.05 -0.54 0.00 -0.84 0.00 0.00 61.79 60.47 1pcp h SER 55 Cb 0.00 -0.09 -0.08 0.00 0.14 0.00 0.00 62.40 62.38 1pcp h SER 55 CO 0.00 0.34 -0.93 -0.62 -1.14 0.00 0.00 176.83 174.48 1pcp n GLU 56 N -4.61 -2.09 -0.00 3.45 1.02 -0.89 -4.84 120.64 112.68 1pcp n GLU 56 Ca 0.19 0.29 -0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1pcp n GLU 56 Cb 0.49 -4.01 -0.01 0.00 -0.02 0.00 0.00 31.44 27.89 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 -4.50 3.06 0.00 3.49 0.28 -1.26 -4.94 120.64 116.77 1pcp n GLU 57 Ca -0.27 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.73 1pcp n GLU 57 Cb 0.67 -1.02 0.00 0.00 1.43 0.00 0.00 31.44 32.52 1pcp n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1pcp n VAL 59 N 0.00 -7.51 0.00 0.00 0.31 -1.26 -4.93 118.33 104.94 1pcp n VAL 59 Ca 0.00 2.02 0.00 0.00 -0.01 0.00 0.00 64.34 66.35 1pcp n VAL 59 Cb 0.00 -3.31 0.00 0.00 -0.91 0.00 0.00 33.84 29.62 1pcp n VAL 59 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1pcp n MET 60 N 1.60 0.00 -2.30 5.55 2.81 -1.26 -4.90 117.12 118.62 1pcp n MET 60 Ca 0.00 0.00 -0.26 0.00 -1.81 0.00 0.00 57.70 55.63 1pcp n MET 60 Cb 0.00 0.00 0.05 0.00 -0.71 0.00 0.00 33.22 32.56 1pcp n MET 60 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1pcp s GLN 61 N -1.21 2.64 0.42 0.03 -1.52 -1.26 -4.83 119.66 113.92 1pcp s GLN 61 Ca 0.00 -0.09 0.24 0.00 -1.95 0.00 0.00 55.36 53.55 1pcp s GLN 61 Cb 0.00 -2.23 1.29 0.00 -0.22 0.00 0.00 33.01 31.85 1pcp s GLN 61 CO 0.00 -0.92 1.70 -0.39 -0.25 0.00 0.00 175.29 175.43 1pcp h VAL 62 N -0.35 0.00 -0.68 1.09 -1.51 -1.90 1.44 116.25 114.35 1pcp h VAL 62 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1pcp h VAL 62 Cb 1.28 0.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 1pcp h VAL 62 CO 0.60 0.00 0.00 -0.24 -1.23 0.00 0.00 177.57 176.70 1pcp n SER 63 N -2.40 3.93 -0.03 4.19 2.88 -1.26 -4.15 113.62 116.78 1pcp n SER 63 Ca -0.02 -2.05 -0.03 0.00 -1.33 0.00 0.00 58.87 55.44 1pcp n SER 63 Cb 0.16 -0.47 -0.05 0.00 -0.75 0.00 0.00 64.21 63.11 1pcp n SER 63 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pcp n ALA 64 N 1.45 1.86 -0.93 -1.46 0.00 0.49 -5.04 120.51 116.88 1pcp n ALA 64 Ca 0.23 -0.39 -0.01 0.00 0.00 0.00 0.00 53.44 53.27 1pcp n ALA 64 Cb 0.63 0.12 0.02 0.00 0.00 0.00 0.00 19.45 20.22 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 -2.21 -0.58 0.03 0.00 -4.01 -0.71 -4.91 116.66 104.28 1pcp n ARG 65 Ca -0.10 -0.11 0.00 0.00 -1.04 0.00 0.00 57.85 56.60 1pcp n ARG 65 Cb 0.68 -0.20 0.00 0.00 -3.04 0.00 0.00 32.46 29.91 1pcp n ARG 65 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 1pcp n LYS 66 N -1.31 0.00 0.00 2.89 3.00 -1.26 -5.02 118.16 116.45 1pcp n LYS 66 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1pcp n LYS 66 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.08 1pcp n LYS 66 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1pcp n ASN 67 N -2.64 0.00 0.00 3.14 4.05 -1.26 -4.94 115.26 113.61 1pcp n ASN 67 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1pcp n ASN 67 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1pcp n ASN 67 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1pcp n GLY 69 N 3.47 -3.26 3.47 0.00 0.00 -0.81 -4.97 105.19 103.09 1pcp n GLY 69 Ca 0.00 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.91 2.10 -1.07 1.61 1.13 -1.26 -4.94 117.35 114.01 1pcp s TYR 70 Ca 0.02 -0.67 -0.22 0.00 -1.41 0.00 0.00 57.07 54.79 1pcp s TYR 70 Cb -0.00 -1.24 -0.00 0.00 -1.10 0.00 0.00 41.96 39.62 1pcp s TYR 70 CO 0.01 0.35 1.75 -1.25 -2.51 0.00 0.00 175.55 173.90 1pcp s PRO 71 N -3.71 3.15 0.00 -3.49 0.04 -1.26 -2.43 135.00 127.30 1pcp s PRO 71 Ca 0.31 -1.06 0.00 0.00 0.04 0.00 0.00 61.00 60.29 1pcp s PRO 71 Cb 0.04 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 29.30 1pcp s PRO 71 CO 0.14 -2.91 0.00 0.41 0.04 0.00 0.00 177.00 174.68 1pcp n GLY 72 N 6.38 0.32 3.20 0.56 0.00 -1.26 -5.15 105.19 109.23 1pcp n GLY 72 Ca 0.41 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.73 -0.61 3.06 -1.02 -5.04 119.36 111.01 1pcp n ILE 73 Ca 0.00 -0.17 -0.32 0.00 -2.50 0.00 0.00 62.75 59.76 1pcp n ILE 73 Cb 0.00 -0.71 -0.07 0.00 0.54 0.00 0.00 39.64 39.40 1pcp n ILE 73 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 1pcp s SER 74 N -2.25 3.91 -0.07 9.51 0.01 -1.26 -4.93 113.70 118.62 1pcp s SER 74 Ca 0.54 -1.72 -0.15 0.00 1.31 0.00 0.00 55.95 55.93 1pcp s SER 74 Cb -0.12 0.68 -0.11 0.00 0.21 0.00 0.00 66.02 66.68 1pcp s SER 74 CO 0.53 -0.94 0.58 1.55 0.41 0.00 0.00 173.24 175.36 1pcp h PRO 75 N 1.37 -0.23 0.00 12.44 0.13 -1.98 0.32 132.00 144.04 1pcp h PRO 75 Ca -0.42 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1pcp h PRO 75 Cb 1.32 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1pcp h PRO 75 CO 0.69 0.07 0.00 -1.91 -0.23 0.00 0.00 178.00 176.61 1pcp n GLU 76 N -4.93 0.12 -0.09 0.86 2.13 -1.26 -2.67 120.64 114.81 1pcp n GLU 76 Ca -0.06 0.20 -0.22 0.00 0.66 0.00 0.00 57.16 57.74 1pcp n GLU 76 Cb 0.20 -1.67 -0.12 0.00 0.27 0.00 0.00 31.44 30.13 1pcp n GLU 76 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1pcp n ASP 77 N -1.88 1.91 0.14 4.31 9.92 -1.24 -2.63 116.55 127.08 1pcp n ASP 77 Ca 0.05 0.38 -0.14 0.00 -0.53 0.00 0.00 54.79 54.56 1pcp n ASP 77 Cb 0.31 -0.95 -0.08 0.00 -0.64 0.00 0.00 41.12 39.77 1pcp n ASP 77 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pcp h ALA 79 N -0.86 1.06 -0.02 0.00 0.00 -1.60 1.34 119.26 119.19 1pcp h ALA 79 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pcp h ALA 79 Cb 0.64 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1pcp h ALA 79 CO -0.17 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.17 1pcp n ALA 80 N -2.37 2.53 -0.04 0.00 0.00 -0.61 -3.53 120.51 116.48 1pcp n ALA 80 Ca 0.11 -0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.41 1pcp n ALA 80 Cb 0.23 -1.08 -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 -0.52 0.17 0.00 0.00 5.12 0.83 -4.93 116.66 117.33 1pcp n ARG 81 Ca 0.04 0.07 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 1pcp n ARG 81 Cb 0.03 -0.81 0.00 0.00 -1.16 0.00 0.00 32.46 30.53 1pcp n ARG 81 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1pcp n ASN 82 N -3.31 0.00 0.00 0.55 5.03 0.39 -5.04 115.26 112.88 1pcp n ASN 82 Ca -0.15 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.30 1pcp n ASN 82 Cb 0.61 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.37 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 -3.02 0.22 -0.42 0.00 2.19 -1.22 -2.17 117.98 113.56 1pcp s PHE 85 Ca 0.62 -0.82 0.04 0.00 0.33 0.00 0.00 56.93 57.10 1pcp s PHE 85 Cb -0.16 -0.83 0.12 0.00 -1.31 0.00 0.00 43.02 40.83 1pcp s PHE 85 CO 0.56 -0.85 0.16 0.45 1.83 0.00 0.00 175.22 177.37 1pcp s SER 86 N 2.08 4.44 0.00 6.13 0.15 0.29 -4.90 113.70 121.89 1pcp s SER 86 Ca 0.10 -2.54 0.27 0.00 0.70 0.00 0.00 55.95 54.47 1pcp s SER 86 Cb -0.16 -1.55 0.80 0.00 -1.71 0.00 0.00 66.02 63.41 1pcp s SER 86 CO -0.34 -0.31 1.60 -0.90 1.20 0.00 0.00 173.24 174.49 1pcp n ASP 87 N 3.73 1.12 -0.38 5.45 5.75 -1.26 -4.15 116.55 126.80 1pcp n ASP 87 Ca 0.04 -1.00 0.31 0.00 -0.01 0.00 0.00 54.79 54.13 1pcp n ASP 87 Cb 0.37 0.11 0.51 0.00 -1.03 0.00 0.00 41.12 41.08 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 -0.50 -0.12 -4.06 2.12 5.66 -1.26 -3.07 114.28 113.04 1pcp n THR 88 Ca 0.13 1.20 -0.32 0.00 -3.05 0.00 0.00 64.05 62.01 1pcp n THR 88 Cb 0.35 -1.97 -0.15 0.00 -1.55 0.00 0.00 70.33 67.01 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 -4.62 2.24 0.25 1.09 1.09 -1.26 -5.10 121.20 114.88 1pcp s ILE 89 Ca -0.05 -1.52 -0.30 0.00 -1.10 0.00 0.00 60.65 57.69 1pcp s ILE 89 Cb 0.21 -2.27 -0.09 0.00 -1.06 0.00 0.00 42.46 39.25 1pcp s ILE 89 CO 0.59 0.04 1.09 -2.16 -0.10 0.00 0.00 174.94 174.41 1pcp s PRO 90 N 1.14 4.64 0.00 2.79 0.04 -1.18 -3.79 135.00 138.64 1pcp s PRO 90 Ca -0.07 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1pcp s PRO 90 Cb -0.19 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1pcp s PRO 90 CO -0.06 0.18 0.00 0.39 0.04 0.00 0.00 177.00 177.56 1pcp n GLU 91 N 1.59 0.00 -3.98 4.56 1.02 -1.26 -5.09 120.64 117.47 1pcp n GLU 91 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1pcp n GLU 91 Cb 0.45 -0.94 -0.04 0.00 -0.02 0.00 0.00 31.44 30.89 1pcp n GLU 91 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1pcp s VAL 92 N -2.12 0.00 -0.97 2.62 -7.23 -1.25 -5.08 120.40 106.36 1pcp s VAL 92 Ca 0.00 -1.35 -0.24 0.00 -1.81 0.00 0.00 61.98 58.58 1pcp s VAL 92 Cb 0.00 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.62 1pcp s VAL 92 CO 0.00 0.00 1.70 -2.16 -0.31 0.00 0.00 175.10 174.33 1pcp s PRO 93 N -3.68 3.09 0.29 4.82 0.04 -1.26 -4.78 135.00 133.51 1pcp s PRO 93 Ca 0.22 -0.74 -0.03 0.00 0.04 0.00 0.00 61.00 60.49 1pcp s PRO 93 Cb -0.02 -5.22 0.41 0.00 0.04 0.00 0.00 34.50 29.71 1pcp s PRO 93 CO 0.11 -2.79 1.96 -1.49 0.04 0.00 0.00 177.00 174.82 1pcp h TRP 94 N 10.48 1.09 -3.10 0.56 6.55 -1.89 -3.34 115.95 126.29 1pcp h TRP 94 Ca 0.15 0.03 -0.68 0.00 0.95 0.00 0.00 58.89 59.34 1pcp h TRP 94 Cb 1.00 -0.37 -0.18 0.00 -0.86 0.00 0.00 29.16 28.75 1pcp h TRP 94 CO 1.25 0.68 0.12 0.00 -1.05 0.00 0.00 178.44 179.44 1pcp n PHE 96 N 6.35 0.07 -3.57 0.00 -1.74 -0.92 -0.22 117.46 117.43 1pcp n PHE 96 Ca -0.07 -0.17 -0.25 0.00 -0.56 0.00 0.00 57.45 56.41 1pcp n PHE 96 Cb 0.44 -0.02 -0.02 0.00 1.52 0.00 0.00 39.48 41.40 1pcp n PHE 96 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 1pcp s PHE 97 N -1.17 3.48 -1.04 2.97 0.08 -1.26 -1.79 117.98 119.25 1pcp s PHE 97 Ca 0.00 0.30 0.22 0.00 0.12 0.00 0.00 56.93 57.57 1pcp s PHE 97 Cb 0.00 -1.84 0.95 0.00 -0.57 0.00 0.00 43.02 41.56 1pcp s PHE 97 CO 0.00 0.26 1.70 -0.35 -0.10 0.00 0.00 175.22 176.73 1pcp n PRO 98 N -1.34 0.03 0.00 0.24 -0.04 -1.26 -4.79 135.00 127.84 1pcp n PRO 98 Ca -0.05 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1pcp n PRO 98 Cb 0.55 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 1pcp n PRO 98 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1pcp n MET 99 N -1.48 0.00 -4.21 0.54 1.56 -1.26 -4.84 117.12 107.43 1pcp n MET 99 Ca 0.06 0.00 -0.17 0.00 -0.27 0.00 0.00 57.70 57.32 1pcp n MET 99 Cb 0.25 0.00 -0.07 0.00 2.15 0.00 0.00 33.22 35.54 1pcp n MET 99 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1pcp s SER 100 N -3.46 1.18 0.00 6.12 0.15 -1.26 -5.13 113.70 111.29 1pcp s SER 100 Ca 0.00 -1.60 0.00 0.00 0.70 0.00 0.00 55.95 55.05 1pcp s SER 100 Cb 0.00 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1pcp s SER 100 CO 0.00 -1.08 0.00 1.33 1.20 0.00 0.00 173.24 174.69 1pcp n VAL 101 N -0.54 0.00 -2.70 4.45 0.24 -1.26 -4.99 118.33 113.53 1pcp n VAL 101 Ca 0.05 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.11 1pcp n VAL 101 Cb 0.63 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 33.02 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 -1.16 0.00 7.34 0.28 -1.26 -4.45 120.64 121.39 1pcp n GLU 102 Ca 0.00 0.92 0.00 0.00 -0.16 0.00 0.00 57.16 57.92 1pcp n GLU 102 Cb 0.00 -1.27 0.00 0.00 1.43 0.00 0.00 31.44 31.60 1pcp n GLU 102 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1pcp n ASP 103 N 0.37 0.00 0.00 -1.84 2.03 -1.26 -5.06 116.55 110.79 1pcp n ASP 103 Ca -0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.26 1pcp n ASP 103 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 1pcp n ASP 103 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pcp n HIS 105 N -0.55 -3.08 0.83 0.00 1.44 -1.26 -4.83 115.22 107.77 1pcp n HIS 105 Ca 0.00 1.69 0.10 0.00 -2.01 0.00 0.00 57.72 57.49 1pcp n HIS 105 Cb 0.00 -2.67 0.08 0.00 0.12 0.00 0.00 29.99 27.52 1pcp n HIS 105 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19