#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pcp n LYS 2 N 0.00 -3.76 0.07 3.49 4.76 -1.11 -4.85 118.16 116.76 1pcp n LYS 2 Ca 0.00 2.80 -0.11 0.00 -2.87 0.00 0.00 58.31 58.14 1pcp n LYS 2 Cb 0.00 -2.87 -0.00 0.00 -1.84 0.00 0.00 35.03 30.31 1pcp n LYS 2 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1pcp h PRO 3 N 2.79 0.35 0.00 1.97 0.13 -1.84 -3.44 132.00 131.96 1pcp h PRO 3 Ca 0.00 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1pcp h PRO 3 Cb 0.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 1pcp h PRO 3 CO 0.00 1.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.78 1pcp n ALA 4 N -2.51 0.00 0.00 -0.56 0.00 -1.26 -4.81 120.51 111.37 1pcp n ALA 4 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1pcp n ALA 4 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.23 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 0.00 0.00 0.77 0.00 0.00 -1.26 -4.71 120.51 115.31 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 0.39 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.20 1.62 0.00 0.00 1.85 -1.26 -3.99 116.66 113.68 1pcp n ARG 7 Ca 0.08 -2.14 0.00 0.00 -1.00 0.00 0.00 57.85 54.79 1pcp n ARG 7 Cb 0.10 -1.28 0.00 0.00 -1.05 0.00 0.00 32.46 30.23 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 -2.07 0.68 0.06 0.00 3.41 0.84 -3.93 113.62 112.61 1pcp n SER 9 Ca 0.00 0.26 0.06 0.00 -0.26 0.00 0.00 58.87 58.93 1pcp n SER 9 Cb 0.20 0.74 -0.05 0.00 -0.26 0.00 0.00 64.21 64.84 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 -2.61 0.62 -0.82 4.33 0.63 -1.24 -4.95 116.66 112.62 1pcp n ARG 10 Ca -0.02 0.15 -0.35 0.00 -0.92 0.00 0.00 57.85 56.71 1pcp n ARG 10 Cb 0.57 -1.80 0.11 0.00 0.45 0.00 0.00 32.46 31.79 1pcp n ARG 10 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1pcp n GLN 11 N -2.75 -0.83 -3.40 -0.14 6.02 -1.25 -4.94 117.38 110.08 1pcp n GLN 11 Ca -0.05 -0.23 -0.35 0.00 -0.01 0.00 0.00 57.00 56.36 1pcp n GLN 11 Cb 0.69 -1.40 -0.06 0.00 1.02 0.00 0.00 30.24 30.50 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 -1.48 6.77 -1.09 1.08 -1.08 -1.26 -4.99 116.67 114.62 1pcp s ASP 12 Ca 0.47 1.01 -0.22 0.00 -0.52 0.00 0.00 52.55 53.29 1pcp s ASP 12 Cb -0.04 -2.26 -0.00 0.00 -1.46 0.00 0.00 42.92 39.16 1pcp s ASP 12 CO 0.67 0.09 1.75 -2.16 0.52 0.00 0.00 175.17 176.04 1pcp s PRO 13 N -2.07 3.17 0.00 4.34 0.04 -1.26 -3.93 135.00 135.30 1pcp s PRO 13 Ca 0.38 -1.12 0.00 0.00 0.04 0.00 0.00 61.00 60.30 1pcp s PRO 13 Cb -0.14 -5.30 0.00 0.00 0.04 0.00 0.00 34.50 29.10 1pcp s PRO 13 CO 0.19 -2.91 0.00 1.17 0.04 0.00 0.00 177.00 175.49 1pcp n LYS 14 N 8.63 0.00 0.00 4.56 4.81 -1.26 -5.07 118.16 129.83 1pcp n LYS 14 Ca 0.41 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 1pcp n LYS 14 Cb 0.48 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.53 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 -3.29 3.14 3.02 -1.25 -5.14 115.26 111.74 1pcp n ASN 15 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.29 1pcp n ASN 15 Cb 0.00 0.05 0.25 0.00 -0.61 0.00 0.00 39.78 39.47 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 -1.50 -3.95 -1.74 3.52 5.12 -1.26 -4.98 116.66 111.87 1pcp n ARG 16 Ca 0.00 -1.25 0.03 0.00 -1.93 0.00 0.00 57.85 54.70 1pcp n ARG 16 Cb 0.00 -1.77 0.04 0.00 -1.16 0.00 0.00 32.46 29.57 1pcp n ARG 16 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1pcp n VAL 17 N -5.45 0.40 -1.65 1.55 0.31 -1.26 -4.97 118.33 107.27 1pcp n VAL 17 Ca 0.12 -1.55 0.00 0.00 -0.01 0.00 0.00 64.34 62.90 1pcp n VAL 17 Cb 0.51 0.98 0.00 0.00 -0.91 0.00 0.00 33.84 34.42 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 0.18 -8.88 -3.17 4.52 2.85 -1.26 -4.93 115.26 104.58 1pcp n ASN 18 Ca 0.07 1.42 -0.18 0.00 -0.11 0.00 0.00 54.58 55.79 1pcp n ASN 18 Cb 1.05 -5.09 -0.03 0.00 1.24 0.00 0.00 39.78 36.96 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 0.37 -0.64 3.36 0.00 0.00 -1.26 -4.53 105.19 102.49 1pcp n GLY 20 Ca 0.24 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.00 1.68 -0.47 1.61 -0.71 -1.26 -5.08 117.98 109.75 1pcp s PHE 21 Ca 0.00 -0.82 -0.28 0.00 -1.04 0.00 0.00 56.93 54.79 1pcp s PHE 21 Cb 0.00 -0.96 0.01 0.00 -1.21 0.00 0.00 43.02 40.86 1pcp s PHE 21 CO 0.00 0.10 1.44 -1.25 -1.34 0.00 0.00 175.22 174.17 1pcp s PRO 22 N -3.80 3.44 0.00 1.99 0.04 -1.26 -2.28 135.00 133.13 1pcp s PRO 22 Ca 0.28 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1pcp s PRO 22 Cb 0.05 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.51 1pcp s PRO 22 CO 0.09 -1.75 0.00 0.41 0.04 0.00 0.00 177.00 175.79 1pcp n GLY 23 N 5.18 1.39 3.08 0.56 0.00 -1.26 -5.10 105.19 109.04 1pcp n GLY 23 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.13 0.00 -4.31 -0.61 3.06 -0.96 -4.94 119.36 111.47 1pcp n ILE 24 Ca 0.00 -0.22 -0.34 0.00 -2.50 0.00 0.00 62.75 59.69 1pcp n ILE 24 Cb 0.00 -0.15 -0.14 0.00 0.54 0.00 0.00 39.64 39.89 1pcp n ILE 24 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1pcp s THR 25 N -2.07 3.03 0.00 9.51 -4.23 -1.26 -4.99 115.64 115.63 1pcp s THR 25 Ca 0.42 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 1pcp s THR 25 Cb -0.05 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.47 1pcp s THR 25 CO 0.72 0.48 0.13 -1.54 -0.54 0.00 0.00 174.62 173.87 1pcp n SER 26 N 4.23 0.00 0.00 3.99 3.41 -1.26 0.70 113.62 124.69 1pcp n SER 26 Ca -0.19 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1pcp n SER 26 Cb 0.51 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1pcp n SER 26 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1pcp n ASP 27 N -1.91 0.00 -0.29 4.04 8.00 -1.26 0.35 116.55 125.47 1pcp n ASP 27 Ca 0.00 0.81 0.34 0.00 0.71 0.00 0.00 54.79 56.65 1pcp n ASP 27 Cb 0.00 -0.37 0.71 0.00 -0.02 0.00 0.00 41.12 41.44 1pcp n ASP 27 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1pcp h GLN 28 N 0.00 0.00 0.06 -1.24 1.08 -0.14 2.59 115.11 117.47 1pcp h GLN 28 Ca 0.00 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.94 1pcp h GLN 28 Cb 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 1pcp h GLN 28 CO 0.00 0.00 -1.26 0.00 -0.95 0.00 0.00 178.83 176.62 1pcp n PHE 30 N -3.40 1.75 0.87 0.00 3.72 1.07 -3.43 117.46 118.05 1pcp n PHE 30 Ca -0.08 -1.72 0.00 0.00 -0.05 0.00 0.00 57.45 55.60 1pcp n PHE 30 Cb 1.00 -0.85 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 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 -0.42 4.37 -1.04 -0.79 -2.75 114.28 113.54 1pcp n THR 31 Ca 0.34 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.35 1pcp n THR 31 Cb 0.85 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 69.12 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 -0.18 0.00 -0.07 8.00 2.88 -1.26 -4.63 113.62 118.35 1pcp n SER 32 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 1pcp n SER 32 Cb 0.06 -0.06 -0.13 0.00 -0.75 0.00 0.00 64.21 63.34 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 -2.00 -0.46 3.49 0.46 0.00 -1.26 -4.29 105.19 101.13 1pcp n GLY 33 Ca 0.00 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.67 0.50 -0.53 0.00 5.36 -1.25 -1.79 117.98 117.60 1pcp s PHE 36 Ca 0.35 -1.22 0.04 0.00 -0.96 0.00 0.00 56.93 55.13 1pcp s PHE 36 Cb 0.07 -0.90 0.14 0.00 -0.34 0.00 0.00 43.02 41.99 1pcp s PHE 36 CO 0.18 -0.83 0.28 0.34 -1.46 0.00 0.00 175.22 173.74 1pcp s ASP 37 N 1.62 4.22 0.04 6.13 2.15 0.22 -4.89 116.67 126.16 1pcp s ASP 37 Ca 0.13 -3.05 0.27 0.00 0.43 0.00 0.00 52.55 50.33 1pcp s ASP 37 Cb -0.19 -1.52 0.81 0.00 -0.30 0.00 0.00 42.92 41.71 1pcp s ASP 37 CO -0.19 -0.22 1.64 -0.24 -0.17 0.00 0.00 175.17 175.99 1pcp n SER 38 N 3.04 0.36 0.13 -0.34 2.88 -1.26 -3.75 113.62 114.69 1pcp n SER 38 Ca 0.08 0.19 0.05 0.00 -1.33 0.00 0.00 58.87 57.85 1pcp n SER 38 Cb 0.33 -0.17 0.25 0.00 -0.75 0.00 0.00 64.21 63.87 1pcp n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pcp n GLN 39 N -1.67 0.06 -3.69 -1.46 6.02 -1.26 -3.37 117.38 112.02 1pcp n GLN 39 Ca 0.06 0.50 -0.38 0.00 -0.01 0.00 0.00 57.00 57.17 1pcp n GLN 39 Cb 0.36 -2.03 -0.10 0.00 1.02 0.00 0.00 30.24 29.50 1pcp n GLN 39 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1pcp s VAL 40 N -3.12 3.78 0.10 5.09 1.01 -1.25 -5.07 120.40 120.94 1pcp s VAL 40 Ca -0.01 -2.55 -0.30 0.00 0.00 0.00 0.00 61.98 59.12 1pcp s VAL 40 Cb 0.03 -3.49 -0.06 0.00 0.00 0.00 0.00 36.38 32.86 1pcp s VAL 40 CO 0.08 -0.83 1.15 -2.16 0.00 0.00 0.00 175.10 173.35 1pcp s PRO 41 N 0.44 4.50 0.00 2.72 0.04 -1.22 -3.04 135.00 138.44 1pcp s PRO 41 Ca 0.13 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1pcp s PRO 41 Cb -0.21 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1pcp s PRO 41 CO -0.04 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.29 1pcp n GLY 42 N 2.74 2.39 3.81 0.56 0.00 -1.26 -5.07 105.19 108.37 1pcp n GLY 42 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.45 1.37 -0.17 1.61 -7.23 -1.17 -5.09 120.40 107.27 1pcp s VAL 43 Ca 0.00 -1.82 -0.29 0.00 -1.81 0.00 0.00 61.98 58.06 1pcp s VAL 43 Cb 0.00 -2.19 -0.01 0.00 0.56 0.00 0.00 36.38 34.74 1pcp s VAL 43 CO 0.00 0.00 1.28 -2.16 -0.31 0.00 0.00 175.10 173.91 1pcp s PRO 44 N -4.01 4.20 -0.06 4.82 0.04 -1.26 -4.92 135.00 133.82 1pcp s PRO 44 Ca 0.16 1.65 -0.22 0.00 0.04 0.00 0.00 61.00 62.63 1pcp s PRO 44 Cb 0.00 -3.78 -0.17 0.00 0.04 0.00 0.00 34.50 30.59 1pcp s PRO 44 CO 0.10 -0.75 0.90 -1.49 0.04 0.00 0.00 177.00 175.80 1pcp h TRP 45 N 8.34 -0.15 -3.36 0.56 6.55 -1.85 -3.41 115.95 122.63 1pcp h TRP 45 Ca -0.27 -0.00 -0.64 0.00 0.95 0.00 0.00 58.89 58.93 1pcp h TRP 45 Cb 1.10 0.05 -0.14 0.00 -0.86 0.00 0.00 29.16 29.31 1pcp h TRP 45 CO 0.81 0.34 0.33 0.00 -1.05 0.00 0.00 178.44 178.87 1pcp n PHE 47 N 6.80 0.00 -4.55 0.00 1.16 -0.74 0.25 117.46 120.38 1pcp n PHE 47 Ca -0.01 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.25 1pcp n PHE 47 Cb 0.47 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.23 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 -0.95 2.55 0.65 3.97 0.00 -1.26 -0.15 119.74 124.55 1pcp s LYS 48 Ca 0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 55.97 55.14 1pcp s LYS 48 Cb 0.00 -2.49 -0.01 0.00 0.00 0.00 0.00 37.83 35.33 1pcp s LYS 48 CO 0.00 0.61 1.05 -1.25 0.00 0.00 0.00 175.35 175.77 1pcp s PRO 49 N -1.23 3.14 0.00 1.78 0.04 -1.26 -4.92 135.00 132.54 1pcp s PRO 49 Ca 0.15 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1pcp s PRO 49 Cb -0.11 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1pcp s PRO 49 CO 0.05 -0.95 0.84 1.28 0.04 0.00 0.00 177.00 178.27 1pcp n LEU 50 N -2.64 0.00 0.00 -3.56 4.32 -1.25 -4.76 117.00 109.11 1pcp n LEU 50 Ca 0.08 0.84 0.00 0.00 -0.02 0.00 0.00 56.01 56.91 1pcp n LEU 50 Cb 0.53 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 1pcp n LEU 50 CO 0.52 -0.34 0.00 -0.81 -1.22 0.00 0.00 177.39 175.54 1pcp n PRO 51 N -1.81 0.74 -2.70 3.23 -0.04 -1.26 -5.06 135.00 128.09 1pcp n PRO 51 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 1pcp n PRO 51 Cb 0.00 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 33.55 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 -3.00 -0.47 -2.89 0.55 0.00 -1.26 -5.14 120.51 108.30 1pcp n ALA 52 Ca 0.00 -1.09 -0.11 0.00 0.00 0.00 0.00 53.44 52.24 1pcp n ALA 52 Cb 0.00 -1.29 -0.13 0.00 0.00 0.00 0.00 19.45 18.02 1pcp n ALA 52 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1pcp s GLN 53 N 0.17 0.10 0.00 0.00 -1.52 -1.26 -5.01 119.66 112.14 1pcp s GLN 53 Ca 0.19 -0.17 0.25 0.00 -1.95 0.00 0.00 55.36 53.68 1pcp s GLN 53 Cb 0.30 0.01 1.49 0.00 -0.22 0.00 0.00 33.01 34.59 1pcp s GLN 53 CO -0.08 -0.01 1.85 0.39 -0.25 0.00 0.00 175.29 177.20 1pcp n GLU 54 N 2.68 0.78 -0.26 2.91 1.02 -1.26 -3.88 120.64 122.63 1pcp n GLU 54 Ca -0.15 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 56.92 1pcp n GLU 54 Cb 0.59 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.48 1pcp n GLU 54 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1pcp h SER 55 N 0.00 -1.54 -5.28 1.62 0.02 -1.95 -3.47 113.55 102.96 1pcp h SER 55 Ca 0.00 0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 1pcp h SER 55 Cb 0.00 0.72 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1pcp h SER 55 CO 0.00 -0.31 -0.61 -0.62 -1.14 0.00 0.00 176.83 174.15 1pcp n GLU 56 N -5.40 -2.59 0.00 3.45 1.02 -1.25 -4.89 120.64 110.98 1pcp n GLU 56 Ca 0.03 2.24 0.00 0.00 -0.02 0.00 0.00 57.16 59.41 1pcp n GLU 56 Cb 0.35 -5.56 0.00 0.00 -0.02 0.00 0.00 31.44 26.21 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 -0.10 0.00 0.00 3.49 0.28 -1.26 -5.05 120.64 117.99 1pcp n GLU 57 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 1pcp n GLU 57 Cb 0.38 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.25 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 -0.39 0.00 0.00 0.00 0.31 -1.26 -4.54 118.33 112.45 1pcp n VAL 59 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1pcp n VAL 59 Cb 0.00 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.55 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 1.37 0.00 -2.18 5.55 0.00 -1.26 -4.89 117.12 115.72 1pcp n MET 60 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 57.70 57.42 1pcp n MET 60 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 33.22 33.27 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 -0.88 2.70 -1.04 3.17 -0.21 -1.26 -4.87 119.66 117.27 1pcp s GLN 61 Ca 0.00 0.10 -0.26 0.00 0.02 0.00 0.00 55.36 55.21 1pcp s GLN 61 Cb 0.00 -2.16 -0.20 0.00 1.00 0.00 0.00 33.01 31.65 1pcp s GLN 61 CO 0.00 -0.96 2.16 0.54 -2.12 0.00 0.00 175.29 174.91 1pcp s VAL 62 N -3.19 3.05 0.00 1.09 0.11 -1.26 -0.33 120.40 119.88 1pcp s VAL 62 Ca 0.57 -0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.53 1pcp s VAL 62 Cb -0.11 -3.86 0.00 0.00 -1.53 0.00 0.00 36.38 30.88 1pcp s VAL 62 CO 0.47 -0.10 0.00 -0.24 -3.33 0.00 0.00 175.10 171.90 1pcp n SER 63 N 19.29 0.00 0.14 3.54 2.88 -1.26 -4.95 113.62 133.26 1pcp n SER 63 Ca 0.42 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 58.09 1pcp n SER 63 Cb 0.46 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.20 1pcp n SER 63 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pcp h ALA 64 N 0.00 0.92 -1.66 -1.46 0.00 -1.01 -3.46 119.26 112.58 1pcp h ALA 64 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 1pcp h ALA 64 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 17.79 17.95 1pcp h ALA 64 CO 0.00 0.00 -0.26 2.89 0.00 0.00 0.00 179.25 181.88 1pcp n ARG 65 N -2.54 -3.10 0.00 0.00 -4.01 -1.25 -4.98 116.66 100.77 1pcp n ARG 65 Ca 0.04 -0.92 0.00 0.00 -1.04 0.00 0.00 57.85 55.94 1pcp n ARG 65 Cb 0.47 -1.66 0.00 0.00 -3.04 0.00 0.00 32.46 28.23 1pcp n ARG 65 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 1pcp n LYS 66 N -3.23 1.15 -0.12 2.89 4.76 -1.26 -4.95 118.16 117.39 1pcp n LYS 66 Ca 0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 1pcp n LYS 66 Cb 0.45 -0.76 0.00 0.00 -1.84 0.00 0.00 35.03 32.88 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 -1.61 -0.16 -1.72 4.39 5.15 -1.26 -4.96 115.26 115.09 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 0.26 -0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 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 4.76 -0.51 3.42 0.00 0.00 -1.17 -4.36 105.19 107.34 1pcp n GLY 69 Ca 0.00 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.89 1.95 -1.21 1.61 -0.85 -1.26 -4.96 117.35 111.73 1pcp s TYR 70 Ca 0.00 -0.68 -0.21 0.00 -0.52 0.00 0.00 57.07 55.66 1pcp s TYR 70 Cb 0.00 -1.09 -0.00 0.00 0.38 0.00 0.00 41.96 41.24 1pcp s TYR 70 CO 0.00 0.30 1.81 -1.25 -1.52 0.00 0.00 175.55 174.89 1pcp s PRO 71 N -3.72 3.25 0.00 -3.49 0.04 -1.26 -2.43 135.00 127.39 1pcp s PRO 71 Ca 0.29 -1.49 0.00 0.00 0.04 0.00 0.00 61.00 59.84 1pcp s PRO 71 Cb 0.03 -5.37 0.00 0.00 0.04 0.00 0.00 34.50 29.20 1pcp s PRO 71 CO 0.12 -3.05 0.00 0.41 0.04 0.00 0.00 177.00 174.51 1pcp n GLY 72 N 5.76 0.24 3.55 0.56 0.00 -1.26 -5.15 105.19 108.90 1pcp n GLY 72 Ca 0.46 0.00 -0.32 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 -2.88 -0.61 3.06 -1.02 -5.02 119.36 112.89 1pcp n ILE 73 Ca 0.00 -0.10 -0.19 0.00 -2.50 0.00 0.00 62.75 59.96 1pcp n ILE 73 Cb 0.00 -0.84 0.08 0.00 0.54 0.00 0.00 39.64 39.42 1pcp n ILE 73 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 1pcp n SER 74 N -3.06 1.71 0.00 9.51 2.88 -1.26 -4.94 113.62 118.45 1pcp n SER 74 Ca 0.09 -2.29 0.00 0.00 -1.33 0.00 0.00 58.87 55.34 1pcp n SER 74 Cb 0.53 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1pcp n SER 74 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1pcp n PRO 75 N -2.36 0.00 -0.24 -1.46 -0.04 -1.26 -1.54 135.00 128.09 1pcp n PRO 75 Ca 0.15 0.00 0.25 0.00 -0.04 0.00 0.00 63.50 63.86 1pcp n PRO 75 Cb 0.55 -0.61 0.61 0.00 -0.04 0.00 0.00 33.50 34.02 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 0.22 0.29 0.54 -0.00 -1.98 0.73 114.58 114.37 1pcp h GLU 76 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.36 59.33 1pcp h GLU 76 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 28.75 28.70 1pcp h GLU 76 CO 0.00 0.14 -0.14 -0.44 -0.00 0.00 0.00 179.01 178.57 1pcp h ASP 77 N 0.22 -0.33 0.03 3.06 5.19 -1.91 0.79 116.42 123.46 1pcp h ASP 77 Ca 0.49 -0.13 0.01 0.00 -0.62 0.00 0.00 57.03 56.77 1pcp h ASP 77 Cb 1.53 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 41.10 1pcp h ASP 77 CO -0.12 -0.05 -0.22 0.00 -3.12 0.00 0.00 179.24 175.73 1pcp h ALA 79 N -1.11 1.23 -0.12 0.00 0.00 -1.26 2.11 119.26 120.11 1pcp h ALA 79 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1pcp h ALA 79 Cb 0.30 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1pcp h ALA 79 CO -0.13 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 178.94 1pcp n ALA 80 N -2.47 2.58 0.00 0.00 0.00 0.27 -3.62 120.51 117.27 1pcp n ALA 80 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1pcp n ALA 80 Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.03 0.00 0.00 0.00 5.12 0.80 -4.90 116.66 117.65 1pcp n ARG 81 Ca 0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 1pcp n ARG 81 Cb 0.23 -0.66 0.00 0.00 -1.16 0.00 0.00 32.46 30.87 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 -2.73 0.00 0.00 0.55 3.02 0.56 -5.03 115.26 111.63 1pcp n ASN 82 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1pcp n ASN 82 Cb 0.45 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 1pcp n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pcp s PHE 85 N -2.78 0.02 -0.34 0.00 2.19 -1.22 -1.67 117.98 114.18 1pcp s PHE 85 Ca 0.65 -0.63 -0.00 0.00 0.33 0.00 0.00 56.93 57.28 1pcp s PHE 85 Cb -0.20 -0.73 0.11 0.00 -1.31 0.00 0.00 43.02 40.89 1pcp s PHE 85 CO 0.59 -0.87 0.13 0.45 1.83 0.00 0.00 175.22 177.35 1pcp s SER 86 N 2.17 3.88 0.00 6.13 0.15 0.15 -4.94 113.70 121.25 1pcp s SER 86 Ca 0.09 -1.87 0.29 0.00 0.70 0.00 0.00 55.95 55.16 1pcp s SER 86 Cb -0.15 -0.86 1.33 0.00 -1.71 0.00 0.00 66.02 64.62 1pcp s SER 86 CO -0.34 -0.38 1.93 -0.90 1.20 0.00 0.00 173.24 174.75 1pcp n ASP 87 N 4.53 0.20 -0.18 5.45 5.75 -1.26 -4.11 116.55 126.93 1pcp n ASP 87 Ca 0.01 -0.25 0.17 0.00 -0.01 0.00 0.00 54.79 54.72 1pcp n ASP 87 Cb 0.40 -0.20 0.32 0.00 -1.03 0.00 0.00 41.12 40.62 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 -1.19 -0.24 -3.67 2.12 5.66 -1.26 -2.67 114.28 113.03 1pcp n THR 88 Ca 0.13 1.17 -0.39 0.00 -3.05 0.00 0.00 64.05 61.92 1pcp n THR 88 Cb 0.27 -1.89 -0.11 0.00 -1.55 0.00 0.00 70.33 67.06 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 -4.92 3.89 0.29 1.09 1.09 -1.26 -5.08 121.20 116.31 1pcp s ILE 89 Ca -0.05 -1.58 -0.29 0.00 -1.10 0.00 0.00 60.65 57.63 1pcp s ILE 89 Cb 0.19 -3.44 -0.09 0.00 -1.06 0.00 0.00 42.46 38.05 1pcp s ILE 89 CO 0.45 -0.53 1.08 -2.16 -0.10 0.00 0.00 174.94 173.68 1pcp s PRO 90 N 1.34 4.60 0.00 2.79 0.04 -1.09 -3.71 135.00 138.98 1pcp s PRO 90 Ca 0.04 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1pcp s PRO 90 Cb -0.23 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1pcp s PRO 90 CO 0.00 0.20 0.00 -0.85 0.04 0.00 0.00 177.00 176.39 1pcp n GLU 91 N 1.06 0.00 -3.99 4.56 0.28 -1.26 -5.08 120.64 116.21 1pcp n GLU 91 Ca -0.00 0.03 -0.12 0.00 -0.16 0.00 0.00 57.16 56.90 1pcp n GLU 91 Cb 0.46 -1.24 -0.02 0.00 1.43 0.00 0.00 31.44 32.06 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 0.00 -0.59 3.84 -7.23 -1.24 -5.10 120.40 108.08 1pcp s VAL 92 Ca 0.00 -1.40 -0.27 0.00 -1.81 0.00 0.00 61.98 58.50 1pcp s VAL 92 Cb 0.00 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 34.32 1pcp s VAL 92 CO 0.00 0.00 1.51 -2.16 -0.31 0.00 0.00 175.10 174.14 1pcp s PRO 93 N -3.01 3.14 0.14 4.82 0.04 -1.26 -4.84 135.00 134.03 1pcp s PRO 93 Ca 0.25 0.44 -0.10 0.00 0.04 0.00 0.00 61.00 61.62 1pcp s PRO 93 Cb -0.02 -4.19 -0.06 0.00 0.04 0.00 0.00 34.50 30.27 1pcp s PRO 93 CO 0.16 -2.14 1.42 -1.49 0.04 0.00 0.00 177.00 175.00 1pcp h TRP 94 N 11.85 1.05 -2.73 0.56 6.55 -1.89 -3.37 115.95 127.97 1pcp h TRP 94 Ca -0.27 -0.37 -0.70 0.00 0.95 0.00 0.00 58.89 58.50 1pcp h TRP 94 Cb 1.11 -0.20 -0.19 0.00 -0.86 0.00 0.00 29.16 29.02 1pcp h TRP 94 CO 1.05 1.19 0.55 0.00 -1.05 0.00 0.00 178.44 180.18 1pcp n PHE 96 N 6.35 -0.71 -3.88 0.00 -1.74 -0.67 0.35 117.46 117.15 1pcp n PHE 96 Ca 0.12 -0.78 -0.21 0.00 -0.56 0.00 0.00 57.45 56.02 1pcp n PHE 96 Cb 0.47 -0.14 -0.03 0.00 1.52 0.00 0.00 39.48 41.30 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 -1.11 3.12 0.14 2.97 0.40 -1.26 0.25 117.98 122.49 1pcp s PHE 97 Ca 0.07 -0.17 -0.30 0.00 -0.60 0.00 0.00 56.93 55.93 1pcp s PHE 97 Cb -0.01 -1.65 -0.07 0.00 0.51 0.00 0.00 43.02 41.80 1pcp s PHE 97 CO 0.04 0.31 1.13 -1.25 0.70 0.00 0.00 175.22 176.16 1pcp s PRO 98 N -3.97 4.54 0.18 0.24 0.04 -1.26 -4.76 135.00 130.01 1pcp s PRO 98 Ca 0.38 1.74 -0.11 0.00 0.04 0.00 0.00 61.00 63.04 1pcp s PRO 98 Cb -0.08 -3.30 0.08 0.00 0.04 0.00 0.00 34.50 31.25 1pcp s PRO 98 CO 0.27 -0.04 1.74 0.00 0.04 0.00 0.00 177.00 179.01 1pcp h MET 99 N 5.62 0.92 -5.07 4.56 -0.00 -1.77 -3.48 114.93 115.71 1pcp h MET 99 Ca -0.43 -0.17 0.00 0.00 -0.00 0.00 0.00 59.70 59.10 1pcp h MET 99 Cb 1.21 -0.15 0.00 0.00 -0.00 0.00 0.00 31.60 32.66 1pcp h MET 99 CO 0.75 0.78 -0.41 -1.13 -0.00 0.00 0.00 176.91 176.90 1pcp n SER 100 N -4.45 -7.39 0.00 -0.10 3.41 -1.26 -5.03 113.62 98.80 1pcp n SER 100 Ca 0.04 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1pcp n SER 100 Cb 0.17 -4.99 0.00 0.00 -0.26 0.00 0.00 64.21 59.13 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 -0.43 0.00 0.00 -3.33 0.24 -1.26 -5.01 118.33 108.53 1pcp n VAL 101 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1pcp n VAL 101 Cb 0.42 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 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 0.00 7.34 2.13 -1.26 -4.83 120.64 124.02 1pcp n GLU 102 Ca 0.00 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.90 1pcp n GLU 102 Cb 0.00 -0.30 0.36 0.00 0.27 0.00 0.00 31.44 31.77 1pcp n GLU 102 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1pcp n ASP 103 N 0.00 0.00 -0.33 4.31 8.00 -1.26 -3.26 116.55 124.01 1pcp n ASP 103 Ca 0.00 0.43 0.15 0.00 0.71 0.00 0.00 54.79 56.08 1pcp n ASP 103 Cb 0.00 -0.47 0.31 0.00 -0.02 0.00 0.00 41.12 40.94 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 -5.41 0.00 -0.87 0.00 1.44 -1.20 -4.61 115.22 104.56 1pcp n HIS 105 Ca 0.24 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.95 1pcp n HIS 105 Cb 0.78 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.89 1pcp n HIS 105 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19