#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 0.57 0.00 3.44 1.02 -1.19 -3.70 119.74 119.88 1pcp s LYS 2 Ca 0.00 -0.93 0.00 0.00 0.02 0.00 0.00 55.97 55.06 1pcp s LYS 2 Cb 0.00 0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.52 1pcp s LYS 2 CO 0.00 -0.13 0.80 -0.35 -0.92 0.00 0.00 175.35 174.75 1pcp n PRO 3 N 0.59 0.75 -0.10 -1.68 -0.04 -1.26 -4.88 135.00 128.38 1pcp n PRO 3 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1pcp n PRO 3 Cb 0.59 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 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 0.68 -0.82 1.04 0.55 0.00 -1.26 -4.67 120.51 116.03 1pcp n ALA 4 Ca 0.00 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.58 1pcp n ALA 4 Cb 0.38 -0.56 0.06 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.43 3.69 1.42 0.00 0.00 -1.26 -3.86 120.51 119.06 1pcp n ALA 5 Ca 0.00 -0.58 0.14 0.00 0.00 0.00 0.00 53.44 52.99 1pcp n ALA 5 Cb 0.02 -0.86 0.73 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.21 1.68 0.02 0.00 1.85 -1.25 -4.12 116.66 113.63 1pcp n ARG 7 Ca 0.15 -3.31 0.00 0.00 -1.00 0.00 0.00 57.85 53.69 1pcp n ARG 7 Cb 0.18 -1.58 0.00 0.00 -1.05 0.00 0.00 32.46 30.01 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 -2.68 1.34 -0.32 0.00 3.41 -1.04 -3.51 113.62 110.82 1pcp n SER 9 Ca 0.00 -1.24 0.06 0.00 -0.26 0.00 0.00 58.87 57.42 1pcp n SER 9 Cb 0.03 0.07 0.01 0.00 -0.26 0.00 0.00 64.21 64.06 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 1.62 0.00 4.33 0.00 -1.26 -4.95 116.66 116.23 1pcp n ARG 10 Ca 0.16 -0.81 0.00 0.00 -0.00 0.00 0.00 57.85 57.19 1pcp n ARG 10 Cb 0.36 -1.16 0.00 0.00 0.00 0.00 0.00 32.46 31.66 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 0.03 1.44 -4.45 -0.14 6.02 -1.23 -4.75 117.38 114.31 1pcp n GLN 11 Ca 0.05 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.81 1pcp n GLN 11 Cb 0.26 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.38 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 2.21 -1.20 1.08 -1.08 -1.26 -4.92 116.67 109.53 1pcp s ASP 12 Ca 0.00 -0.55 -0.21 0.00 -0.52 0.00 0.00 52.55 51.27 1pcp s ASP 12 Cb 0.00 -0.15 -0.01 0.00 -1.46 0.00 0.00 42.92 41.30 1pcp s ASP 12 CO 0.00 0.08 1.81 -2.16 0.52 0.00 0.00 175.17 175.43 1pcp s PRO 13 N -1.38 3.23 0.00 4.34 0.04 -1.26 -4.27 135.00 135.71 1pcp s PRO 13 Ca 0.05 -1.46 0.00 0.00 0.04 0.00 0.00 61.00 59.62 1pcp s PRO 13 Cb -0.09 -5.37 0.00 0.00 0.04 0.00 0.00 34.50 29.08 1pcp s PRO 13 CO 0.02 -3.05 0.00 1.17 0.04 0.00 0.00 177.00 175.18 1pcp n LYS 14 N 8.42 0.00 0.00 4.56 4.81 -1.26 -5.09 118.16 129.60 1pcp n LYS 14 Ca 0.45 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 1pcp n LYS 14 Cb 0.47 -0.07 0.00 0.00 0.02 0.00 0.00 35.03 35.45 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 0.21 0.00 3.14 5.03 -1.26 -5.16 115.26 117.22 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 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 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 -2.15 0.00 -2.73 3.52 0.63 -1.26 -5.00 116.66 109.66 1pcp n ARG 16 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 1pcp n ARG 16 Cb 0.06 0.00 0.02 0.00 0.45 0.00 0.00 32.46 32.99 1pcp n ARG 16 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1pcp n VAL 17 N 0.00 -1.08 -0.74 5.15 0.31 -1.26 -4.64 118.33 116.07 1pcp n VAL 17 Ca 0.00 -0.03 -0.25 0.00 -0.01 0.00 0.00 64.34 64.05 1pcp n VAL 17 Cb 0.00 -2.46 -0.01 0.00 -0.91 0.00 0.00 33.84 30.46 1pcp n VAL 17 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1pcp n ASN 18 N -0.23 -1.18 -2.44 4.52 2.85 -1.26 -3.78 115.26 113.74 1pcp n ASN 18 Ca -0.02 0.53 -0.16 0.00 -0.11 0.00 0.00 54.58 54.82 1pcp n ASN 18 Cb 0.52 -0.50 0.02 0.00 1.24 0.00 0.00 39.78 41.07 1pcp n ASN 18 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pcp n GLY 20 N -0.52 3.18 3.60 0.00 0.00 -1.26 -4.00 105.19 106.19 1pcp n GLY 20 Ca 0.28 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 46.20 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 2.10 -0.11 -0.45 1.61 -0.71 -1.26 -5.08 117.98 114.07 1pcp s PHE 21 Ca 0.00 0.04 -0.28 0.00 -1.04 0.00 0.00 56.93 55.65 1pcp s PHE 21 Cb 0.00 0.53 0.01 0.00 -1.21 0.00 0.00 43.02 42.35 1pcp s PHE 21 CO 0.00 -0.25 1.43 -1.25 -1.34 0.00 0.00 175.22 173.81 1pcp s PRO 22 N -2.47 3.47 0.00 1.99 0.04 -1.26 -2.43 135.00 134.34 1pcp s PRO 22 Ca 0.11 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.97 1pcp s PRO 22 Cb 0.01 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.48 1pcp s PRO 22 CO -0.04 -1.70 0.00 0.41 0.04 0.00 0.00 177.00 175.71 1pcp n GLY 23 N 5.15 0.90 3.38 0.56 0.00 -1.26 -5.12 105.19 108.82 1pcp n GLY 23 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1pcp n GLY 23 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1pcp n ILE 24 N 0.00 0.00 -3.22 -0.61 3.06 -1.02 -4.98 119.36 112.59 1pcp n ILE 24 Ca 0.00 -0.25 -0.24 0.00 -2.50 0.00 0.00 62.75 59.76 1pcp n ILE 24 Cb 0.00 -0.69 -0.06 0.00 0.54 0.00 0.00 39.64 39.43 1pcp n ILE 24 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1pcp n THR 25 N -4.16 0.02 0.00 9.51 -2.24 -1.26 -5.03 114.28 111.12 1pcp n THR 25 Ca 0.04 -4.35 0.00 0.00 -2.27 0.00 0.00 64.05 57.47 1pcp n THR 25 Cb 0.57 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.09 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 1.09 0.00 0.00 3.42 3.41 -1.26 -2.94 113.62 117.34 1pcp n SER 26 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1pcp n SER 26 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1pcp n SER 26 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1pcp n ASP 27 N 0.05 0.00 0.05 4.04 -0.08 -1.26 0.59 116.55 119.95 1pcp n ASP 27 Ca 0.00 0.47 0.21 0.00 -1.51 0.00 0.00 54.79 53.97 1pcp n ASP 27 Cb 0.00 -0.23 0.73 0.00 2.34 0.00 0.00 41.12 43.96 1pcp n ASP 27 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1pcp h GLN 28 N 0.00 0.00 -0.31 -0.67 1.08 -1.94 3.10 115.11 116.37 1pcp h GLN 28 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1pcp h GLN 28 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1pcp h GLN 28 CO 0.00 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.88 1pcp n PHE 30 N 1.09 0.05 0.00 0.00 3.72 1.00 -3.26 117.46 120.05 1pcp n PHE 30 Ca 0.18 -0.62 0.00 0.00 -0.05 0.00 0.00 57.45 56.96 1pcp n PHE 30 Cb 0.51 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 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 0.35 0.00 -0.71 4.37 -1.04 0.98 -3.18 114.28 115.04 1pcp n THR 31 Ca 0.07 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.89 1pcp n THR 31 Cb 1.11 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 69.74 1pcp n THR 31 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1pcp n SER 32 N 0.00 4.07 0.00 8.00 3.41 -1.26 -4.37 113.62 123.47 1pcp n SER 32 Ca 0.00 -3.22 0.00 0.00 -0.26 0.00 0.00 58.87 55.39 1pcp n SER 32 Cb 0.00 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 1pcp n SER 32 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pcp n GLY 33 N -0.65 0.84 0.00 5.00 0.00 -1.25 -5.11 105.19 104.01 1pcp n GLY 33 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.79 -0.20 -0.60 0.00 5.36 -1.20 -2.61 117.98 115.94 1pcp s PHE 36 Ca 0.54 -1.47 -0.16 0.00 -0.96 0.00 0.00 56.93 54.88 1pcp s PHE 36 Cb -0.10 -0.33 0.14 0.00 -0.34 0.00 0.00 43.02 42.39 1pcp s PHE 36 CO 0.40 -1.04 0.56 0.34 -1.46 0.00 0.00 175.22 174.03 1pcp s ASP 37 N 0.49 6.29 0.00 6.13 2.15 0.56 -4.85 116.67 127.45 1pcp s ASP 37 Ca 0.31 -1.93 0.26 0.00 0.43 0.00 0.00 52.55 51.61 1pcp s ASP 37 Cb 0.01 -2.22 0.60 0.00 -0.30 0.00 0.00 42.92 41.02 1pcp s ASP 37 CO -0.12 -0.83 1.47 -0.24 -0.17 0.00 0.00 175.17 175.28 1pcp n SER 38 N 5.10 0.67 0.24 -0.34 2.88 -1.26 -4.00 113.62 116.91 1pcp n SER 38 Ca -0.09 -0.47 0.08 0.00 -1.33 0.00 0.00 58.87 57.07 1pcp n SER 38 Cb 0.41 0.21 0.41 0.00 -0.75 0.00 0.00 64.21 64.49 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 0.41 0.00 -4.37 -1.46 4.20 -1.96 -3.25 115.11 108.67 1pcp h GLN 39 Ca 0.00 0.00 -0.71 0.00 0.06 0.00 0.00 58.65 58.00 1pcp h GLN 39 Cb 0.50 0.00 -0.32 0.00 0.30 0.00 0.00 27.48 27.96 1pcp h GLN 39 CO 0.00 0.00 -0.47 0.08 -0.67 0.00 0.00 178.83 177.77 1pcp s VAL 40 N -3.60 3.74 0.26 -0.54 1.01 -1.26 -5.08 120.40 114.94 1pcp s VAL 40 Ca -0.02 -1.95 -0.30 0.00 0.00 0.00 0.00 61.98 59.71 1pcp s VAL 40 Cb 0.04 -3.51 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 1pcp s VAL 40 CO 0.14 -0.74 1.09 -2.16 0.00 0.00 0.00 175.10 173.43 1pcp s PRO 41 N 1.21 4.65 0.00 2.72 0.04 -1.23 -3.30 135.00 139.09 1pcp s PRO 41 Ca 0.07 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1pcp s PRO 41 Cb -0.24 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1pcp s PRO 41 CO -0.03 0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.64 1pcp n GLY 42 N 1.35 2.94 3.99 0.56 0.00 -1.26 -5.03 105.19 107.73 1pcp n GLY 42 Ca -0.01 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.04 2.68 -0.16 1.61 -7.23 -1.21 -5.04 120.40 109.02 1pcp s VAL 43 Ca 0.00 -0.80 -0.29 0.00 -1.81 0.00 0.00 61.98 59.08 1pcp s VAL 43 Cb 0.00 -2.88 -0.02 0.00 0.56 0.00 0.00 36.38 34.04 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 -4.65 4.23 0.03 4.82 0.04 -1.26 -4.91 135.00 133.30 1pcp s PRO 44 Ca 0.58 1.68 -0.19 0.00 0.04 0.00 0.00 61.00 63.11 1pcp s PRO 44 Cb -0.09 -3.77 -0.20 0.00 0.04 0.00 0.00 34.50 30.49 1pcp s PRO 44 CO 0.37 -0.70 1.19 -1.49 0.04 0.00 0.00 177.00 176.41 1pcp h TRP 45 N 8.22 0.63 -3.57 0.56 6.55 -1.85 -3.41 115.95 123.08 1pcp h TRP 45 Ca -0.27 -0.29 -0.61 0.00 0.95 0.00 0.00 58.89 58.67 1pcp h TRP 45 Cb 1.11 -0.09 -0.11 0.00 -0.86 0.00 0.00 29.16 29.20 1pcp h TRP 45 CO 0.80 1.07 0.43 0.00 -1.05 0.00 0.00 178.44 179.69 1pcp n PHE 47 N 6.66 -1.11 -3.03 0.00 1.16 -1.07 -1.80 117.46 118.27 1pcp n PHE 47 Ca 0.04 -1.88 -0.40 0.00 -1.87 0.00 0.00 57.45 53.34 1pcp n PHE 47 Cb 0.48 0.39 -0.05 0.00 -1.61 0.00 0.00 39.48 38.69 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 -2.70 4.45 0.63 3.97 0.00 -1.25 -2.33 119.74 122.51 1pcp s LYS 48 Ca 0.24 0.98 -0.11 0.00 0.00 0.00 0.00 55.97 57.08 1pcp s LYS 48 Cb -0.00 -3.37 0.15 0.00 0.00 0.00 0.00 37.83 34.61 1pcp s LYS 48 CO 0.17 0.27 0.69 -0.35 0.00 0.00 0.00 175.35 176.13 1pcp n PRO 49 N 2.93 -1.48 -3.14 1.78 -0.04 -1.26 -4.89 135.00 128.90 1pcp n PRO 49 Ca -0.03 -1.08 -0.21 0.00 -0.04 0.00 0.00 63.50 62.14 1pcp n PRO 49 Cb 0.50 -0.86 -0.04 0.00 -0.04 0.00 0.00 33.50 33.07 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 1.66 0.00 1.53 4.77 -1.24 -5.07 117.00 118.66 1pcp n LEU 50 Ca 0.09 -5.15 -0.01 0.00 -0.03 0.00 0.00 56.01 50.91 1pcp n LEU 50 Cb 0.33 0.40 0.01 0.00 -2.33 0.00 0.00 43.42 41.83 1pcp n LEU 50 CO 0.24 2.29 0.03 -0.81 -1.33 0.00 0.00 177.39 177.80 1pcp n PRO 51 N 0.25 -0.56 -0.12 3.23 -0.04 -1.26 -1.48 135.00 135.02 1pcp n PRO 51 Ca 0.26 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1pcp n PRO 51 Cb 0.59 -0.06 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 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 -3.05 0.00 -0.58 0.55 0.00 -1.26 -4.61 120.51 111.56 1pcp n ALA 52 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1pcp n ALA 52 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 0.00 0.00 -0.17 0.00 1.13 -1.26 -4.33 117.38 112.74 1pcp n GLN 53 Ca 0.00 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 1pcp n GLN 53 Cb 0.00 -0.45 -0.02 0.00 0.11 0.00 0.00 30.24 29.88 1pcp n GLN 53 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1pcp n GLU 54 N 0.62 0.25 -3.15 -1.09 1.02 -1.26 -4.46 120.64 112.57 1pcp n GLU 54 Ca 0.05 -0.70 0.04 0.00 -0.02 0.00 0.00 57.16 56.53 1pcp n GLU 54 Cb 0.19 -2.14 -0.01 0.00 -0.02 0.00 0.00 31.44 29.46 1pcp n GLU 54 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1pcp s SER 55 N 5.11 -1.21 -0.62 1.62 0.01 -1.26 -5.09 113.70 112.26 1pcp s SER 55 Ca 0.15 0.61 -0.26 0.00 1.31 0.00 0.00 55.95 57.76 1pcp s SER 55 Cb 0.03 1.95 -0.11 0.00 0.21 0.00 0.00 66.02 68.11 1pcp s SER 55 CO 0.05 -0.22 2.43 1.21 0.41 0.00 0.00 173.24 177.11 1pcp n GLU 56 N 5.42 0.81 0.00 12.44 0.00 -1.26 -2.79 120.64 135.26 1pcp n GLU 56 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 57.16 56.88 1pcp n GLU 56 Cb 0.52 -3.37 0.00 0.00 0.00 0.00 0.00 31.44 28.59 1pcp n GLU 56 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1pcp n GLU 57 N 8.83 0.00 0.12 5.31 0.28 -1.26 -4.96 120.64 128.96 1pcp n GLU 57 Ca 0.42 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 57.22 1pcp n GLU 57 Cb 0.48 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 33.20 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 -3.61 0.00 0.00 0.00 0.31 -1.26 -4.86 118.33 108.91 1pcp n VAL 59 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1pcp n VAL 59 Cb 1.07 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.93 1pcp n VAL 59 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1pcp n MET 60 N 0.60 0.00 -2.30 5.55 0.00 -0.55 -4.92 117.12 115.51 1pcp n MET 60 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 57.70 57.49 1pcp n MET 60 Cb -0.00 0.00 0.04 0.00 0.00 0.00 0.00 33.22 33.26 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 2.71 0.00 3.17 -0.21 -1.26 -4.76 119.66 117.31 1pcp s GLN 61 Ca 0.00 -0.04 0.08 0.00 0.02 0.00 0.00 55.36 55.41 1pcp s GLN 61 Cb 0.00 -2.22 0.33 0.00 1.00 0.00 0.00 33.01 32.11 1pcp s GLN 61 CO 0.00 -0.88 1.23 0.28 -2.12 0.00 0.00 175.29 173.80 1pcp n VAL 62 N -2.71 1.42 0.51 1.09 0.31 -1.26 -0.18 118.33 117.51 1pcp n VAL 62 Ca 0.06 0.36 0.06 0.00 -0.01 0.00 0.00 64.34 64.80 1pcp n VAL 62 Cb 0.58 -1.23 0.04 0.00 -0.91 0.00 0.00 33.84 32.32 1pcp n VAL 62 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1pcp n SER 63 N -1.48 1.81 0.15 4.52 7.64 -1.26 -4.34 113.62 120.66 1pcp n SER 63 Ca 0.02 -1.41 0.08 0.00 1.01 0.00 0.00 58.87 58.58 1pcp n SER 63 Cb 0.08 0.14 0.06 0.00 -1.01 0.00 0.00 64.21 63.49 1pcp n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pcp h ALA 64 N 2.29 0.75 -2.38 -0.43 0.00 -0.92 -3.46 119.26 115.12 1pcp h ALA 64 Ca 0.00 -0.20 -0.49 0.00 0.00 0.00 0.00 54.91 54.22 1pcp h ALA 64 Cb 0.48 0.02 0.11 0.00 0.00 0.00 0.00 17.79 18.40 1pcp h ALA 64 CO 0.00 0.24 0.33 -0.98 0.00 0.00 0.00 179.25 178.84 1pcp s ARG 65 N -3.17 2.17 0.00 0.00 1.04 -1.21 -4.93 118.95 112.86 1pcp s ARG 65 Ca 0.03 0.76 0.00 0.00 -1.04 0.00 0.00 55.73 55.48 1pcp s ARG 65 Cb 0.07 -1.92 0.00 0.00 -2.04 0.00 0.00 34.95 31.06 1pcp s ARG 65 CO 0.74 -1.59 0.60 1.63 -0.04 0.00 0.00 175.30 176.64 1pcp n LYS 66 N -3.43 0.00 -2.02 3.89 5.02 -1.26 -5.05 118.16 115.30 1pcp n LYS 66 Ca 0.07 -0.56 0.00 0.00 -2.02 0.00 0.00 58.31 55.80 1pcp n LYS 66 Cb 0.55 -0.40 0.00 0.00 -0.02 0.00 0.00 35.03 35.16 1pcp n LYS 66 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1pcp n ASN 67 N 0.00 -9.50 0.00 4.39 2.85 -1.26 -4.97 115.26 106.77 1pcp n ASN 67 Ca 0.00 1.42 0.00 0.00 -0.11 0.00 0.00 54.58 55.89 1pcp n ASN 67 Cb 0.56 -5.26 0.00 0.00 1.24 0.00 0.00 39.78 36.32 1pcp n ASN 67 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pcp n GLY 69 N 2.68 1.89 3.39 0.00 0.00 -0.85 -5.01 105.19 107.29 1pcp n GLY 69 Ca 0.00 -1.93 -0.19 0.00 0.00 0.00 0.00 46.02 43.90 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 2.70 1.76 -2.00 1.61 1.13 -1.26 -4.93 117.35 116.37 1pcp s TYR 70 Ca 0.00 -1.03 0.09 0.00 -1.41 0.00 0.00 57.07 54.71 1pcp s TYR 70 Cb 0.00 -1.10 0.53 0.00 -1.10 0.00 0.00 41.96 40.29 1pcp s TYR 70 CO 0.00 -0.12 1.14 -0.35 -2.51 0.00 0.00 175.55 173.71 1pcp n PRO 71 N -0.57 0.75 -0.10 -3.49 -0.04 -1.26 -2.64 135.00 127.64 1pcp n PRO 71 Ca -0.02 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.32 1pcp n PRO 71 Cb 0.66 -1.18 -0.13 0.00 -0.04 0.00 0.00 33.50 32.81 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 0.34 -0.63 3.44 0.55 0.00 -1.26 -4.99 105.19 102.64 1pcp n GLY 72 Ca 0.07 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.91 0.00 -3.33 -0.61 3.06 -1.08 -5.03 119.36 109.47 1pcp n ILE 73 Ca -0.35 -0.21 -0.19 0.00 -2.50 0.00 0.00 62.75 59.50 1pcp n ILE 73 Cb 1.02 -0.74 0.04 0.00 0.54 0.00 0.00 39.64 40.50 1pcp n ILE 73 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 1pcp n SER 74 N -2.41 2.11 0.05 9.51 3.41 -1.26 -4.92 113.62 120.11 1pcp n SER 74 Ca 0.06 -2.47 -0.08 0.00 -0.26 0.00 0.00 58.87 56.12 1pcp n SER 74 Cb 0.55 -0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 64.19 1pcp n SER 74 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1pcp h PRO 75 N 0.00 -0.22 -0.18 4.33 0.13 -1.97 -0.73 132.00 133.37 1pcp h PRO 75 Ca -0.26 0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.72 1pcp h PRO 75 Cb 1.11 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1pcp h PRO 75 CO 0.39 0.11 -0.54 1.49 -0.23 0.00 0.00 178.00 179.22 1pcp h GLU 76 N -0.97 0.52 -0.06 0.86 4.22 -1.98 -2.29 114.58 114.88 1pcp h GLU 76 Ca -0.02 -0.33 -0.01 0.00 0.08 0.00 0.00 59.36 59.08 1pcp h GLU 76 Cb 0.43 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1pcp h GLU 76 CO 0.04 0.93 0.01 -0.44 -2.18 0.00 0.00 179.01 177.37 1pcp h ASP 77 N 0.40 0.09 0.26 1.04 3.32 -1.93 0.93 116.42 120.54 1pcp h ASP 77 Ca 0.01 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 1pcp h ASP 77 Cb 1.08 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 1pcp h ASP 77 CO 0.10 0.34 -0.39 0.00 -1.72 0.00 0.00 179.24 177.56 1pcp h ALA 79 N -0.97 0.84 0.00 0.00 0.00 -1.41 1.22 119.26 118.94 1pcp h ALA 79 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1pcp h ALA 79 Cb 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1pcp h ALA 79 CO -0.12 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.05 1pcp n ALA 80 N -2.40 2.48 -0.12 0.00 0.00 0.32 -3.41 120.51 117.38 1pcp n ALA 80 Ca 0.09 -0.16 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 1pcp n ALA 80 Cb 0.23 -1.44 -0.08 0.00 0.00 0.00 0.00 19.45 18.16 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 -1.04 0.52 0.00 0.00 5.12 1.25 -4.95 116.66 117.57 1pcp n ARG 81 Ca 0.19 0.23 0.00 0.00 -1.93 0.00 0.00 57.85 56.34 1pcp n ARG 81 Cb 0.11 -1.39 0.00 0.00 -1.16 0.00 0.00 32.46 30.02 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 -4.19 0.00 0.00 0.55 5.03 0.35 -5.04 115.26 111.96 1pcp n ASN 82 Ca -0.41 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.04 1pcp n ASN 82 Cb 0.77 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.53 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 -3.17 0.19 -0.41 0.00 2.19 -1.21 -1.94 117.98 113.62 1pcp s PHE 85 Ca 0.55 -1.00 0.03 0.00 0.33 0.00 0.00 56.93 56.84 1pcp s PHE 85 Cb -0.11 -0.72 0.12 0.00 -1.31 0.00 0.00 43.02 41.00 1pcp s PHE 85 CO 0.50 -0.88 0.16 0.45 1.83 0.00 0.00 175.22 177.28 1pcp s SER 86 N 1.64 4.25 0.00 6.13 0.15 -0.43 -4.31 113.70 121.14 1pcp s SER 86 Ca 0.14 -2.41 0.29 0.00 0.70 0.00 0.00 55.95 54.67 1pcp s SER 86 Cb -0.18 -1.35 1.31 0.00 -1.71 0.00 0.00 66.02 64.08 1pcp s SER 86 CO -0.16 -0.32 1.91 -0.90 1.20 0.00 0.00 173.24 174.97 1pcp n ASP 87 N 3.88 0.45 -0.27 5.45 5.75 -1.26 -4.16 116.55 126.38 1pcp n ASP 87 Ca 0.04 -0.63 0.24 0.00 -0.01 0.00 0.00 54.79 54.42 1pcp n ASP 87 Cb 0.37 -0.08 0.40 0.00 -1.03 0.00 0.00 41.12 40.79 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 -0.92 -0.18 -3.93 2.12 5.66 -1.26 -2.78 114.28 113.00 1pcp n THR 88 Ca 0.16 1.14 -0.34 0.00 -3.05 0.00 0.00 64.05 61.95 1pcp n THR 88 Cb 0.26 -1.86 -0.14 0.00 -1.55 0.00 0.00 70.33 67.05 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 -4.68 2.79 0.31 1.09 1.09 -1.26 -5.09 121.20 115.44 1pcp s ILE 89 Ca -0.05 -1.71 -0.28 0.00 -1.10 0.00 0.00 60.65 57.52 1pcp s ILE 89 Cb 0.19 -2.74 -0.09 0.00 -1.06 0.00 0.00 42.46 38.76 1pcp s ILE 89 CO 0.50 -0.28 1.07 -2.16 -0.10 0.00 0.00 174.94 173.97 1pcp s PRO 90 N 1.15 4.54 0.00 2.79 0.04 -1.12 -3.74 135.00 138.66 1pcp s PRO 90 Ca -0.01 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1pcp s PRO 90 Cb -0.20 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1pcp s PRO 90 CO -0.03 0.15 0.00 -0.85 0.04 0.00 0.00 177.00 176.30 1pcp n GLU 91 N 0.89 0.00 -4.05 4.56 -0.00 -1.26 -5.08 120.64 115.69 1pcp n GLU 91 Ca 0.00 0.05 -0.11 0.00 -0.00 0.00 0.00 57.16 57.10 1pcp n GLU 91 Cb 0.46 -0.81 -0.05 0.00 -0.00 0.00 0.00 31.44 31.04 1pcp n GLU 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 1pcp s VAL 92 N -2.00 0.00 -0.64 3.84 -7.23 -1.25 -5.10 120.40 108.02 1pcp s VAL 92 Ca 0.00 -1.54 -0.27 0.00 -1.81 0.00 0.00 61.98 58.36 1pcp s VAL 92 Cb 0.00 -2.41 0.01 0.00 0.56 0.00 0.00 36.38 34.54 1pcp s VAL 92 CO 0.00 0.00 1.55 -2.16 -0.31 0.00 0.00 175.10 174.18 1pcp s PRO 93 N -3.67 2.99 0.12 4.82 0.04 -1.26 -4.83 135.00 133.21 1pcp s PRO 93 Ca 0.27 0.28 -0.13 0.00 0.04 0.00 0.00 61.00 61.46 1pcp s PRO 93 Cb 0.00 -4.25 -0.08 0.00 0.04 0.00 0.00 34.50 30.21 1pcp s PRO 93 CO 0.13 -2.33 1.41 -1.49 0.04 0.00 0.00 177.00 174.76 1pcp h TRP 94 N 12.26 1.03 -2.45 0.56 6.55 -1.90 -3.37 115.95 128.63 1pcp h TRP 94 Ca -0.27 -0.35 -0.66 0.00 0.95 0.00 0.00 58.89 58.56 1pcp h TRP 94 Cb 1.11 -0.20 -0.16 0.00 -0.86 0.00 0.00 29.16 29.04 1pcp h TRP 94 CO 1.07 1.16 0.73 0.00 -1.05 0.00 0.00 178.44 180.35 1pcp s PHE 96 N 3.38 2.47 0.26 0.00 -0.71 -0.82 0.24 117.98 122.80 1pcp s PHE 96 Ca 0.28 -0.55 -0.25 0.00 -1.04 0.00 0.00 56.93 55.37 1pcp s PHE 96 Cb -0.10 -1.56 -0.09 0.00 -1.21 0.00 0.00 43.02 40.06 1pcp s PHE 96 CO -0.01 0.51 0.87 -0.06 -1.34 0.00 0.00 175.22 175.19 1pcp s PHE 97 N -2.63 3.76 -0.50 3.49 0.08 -1.26 0.26 117.98 121.18 1pcp s PHE 97 Ca 0.34 1.70 -0.28 0.00 0.12 0.00 0.00 56.93 58.81 1pcp s PHE 97 Cb 0.05 -2.84 0.01 0.00 -0.57 0.00 0.00 43.02 39.66 1pcp s PHE 97 CO 0.18 0.32 1.46 -1.25 -0.10 0.00 0.00 175.22 175.83 1pcp s PRO 98 N -1.76 3.35 0.00 0.24 0.04 -1.26 -4.84 135.00 130.77 1pcp s PRO 98 Ca 0.45 0.67 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1pcp s PRO 98 Cb -0.20 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.23 1pcp s PRO 98 CO 0.25 -1.86 0.00 -1.33 0.04 0.00 0.00 177.00 174.10 1pcp n MET 99 N 8.49 0.00 -3.49 4.56 2.81 -1.26 -5.06 117.12 123.17 1pcp n MET 99 Ca 0.15 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 1pcp n MET 99 Cb 0.49 -0.21 0.00 0.00 -0.71 0.00 0.00 33.22 32.79 1pcp n MET 99 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1pcp n SER 100 N 0.00 0.00 0.00 7.83 7.64 -1.26 -5.11 113.62 122.71 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 0.43 0.00 -3.98 0.44 0.24 -1.26 -4.99 118.33 109.20 1pcp n VAL 101 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.98 1pcp n VAL 101 Cb 0.00 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.38 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 -4.97 -0.72 7.34 2.13 -1.26 -4.73 120.64 118.43 1pcp n GLU 102 Ca 0.00 0.55 -0.03 0.00 0.66 0.00 0.00 57.16 58.33 1pcp n GLU 102 Cb 0.00 -5.39 -0.03 0.00 0.27 0.00 0.00 31.44 26.29 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 -2.80 -0.48 -4.89 4.31 2.03 -1.26 -5.14 116.55 108.32 1pcp n ASP 103 Ca 0.04 -1.00 -0.25 0.00 0.52 0.00 0.00 54.79 54.11 1pcp n ASP 103 Cb 0.52 0.14 -0.04 0.00 -0.72 0.00 0.00 41.12 41.03 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 -1.84 -0.39 -1.00 0.00 -3.43 -1.25 -4.94 115.29 102.44 1pcp s HIS 105 Ca 0.33 0.20 0.08 0.00 -0.80 0.00 0.00 55.06 54.87 1pcp s HIS 105 Cb -0.10 0.56 0.06 0.00 -1.43 0.00 0.00 32.58 31.68 1pcp s HIS 105 CO 0.27 -0.72 0.75 0.66 -2.00 0.00 0.00 174.74 173.70