#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 -4.62 0.00 3.44 5.02 -0.82 -4.51 118.16 116.67 1pcp n LYS 2 Ca 0.00 3.37 0.00 0.00 -2.02 0.00 0.00 58.31 59.66 1pcp n LYS 2 Cb 0.00 -3.74 0.00 0.00 -0.02 0.00 0.00 35.03 31.27 1pcp n LYS 2 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1pcp n PRO 3 N -0.06 0.75 -0.32 1.97 -0.04 -1.26 -4.90 135.00 131.14 1pcp n PRO 3 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1pcp n PRO 3 Cb 0.00 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 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 0.28 -1.69 1.22 0.55 0.00 -1.26 -4.68 120.51 114.93 1pcp n ALA 4 Ca 0.00 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.66 1pcp n ALA 4 Cb 0.24 -0.68 0.39 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.92 3.11 1.61 0.00 0.00 -1.26 -3.48 120.51 119.56 1pcp n ALA 5 Ca 0.00 -0.38 0.10 0.00 0.00 0.00 0.00 53.44 53.16 1pcp n ALA 5 Cb 0.00 -1.16 0.60 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.89 0.73 0.00 0.00 1.85 -1.23 -4.33 116.66 112.79 1pcp n ARG 7 Ca 0.15 -2.23 0.00 0.00 -1.00 0.00 0.00 57.85 54.78 1pcp n ARG 7 Cb 0.07 -0.92 0.00 0.00 -1.05 0.00 0.00 32.46 30.56 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 -2.23 2.08 -0.00 0.00 3.41 -0.74 -3.91 113.62 112.22 1pcp n SER 9 Ca 0.00 -1.61 0.03 0.00 -0.26 0.00 0.00 58.87 57.04 1pcp n SER 9 Cb 0.09 0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 64.08 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 0.47 1.95 0.00 4.33 3.00 -1.26 -5.01 116.66 120.14 1pcp n ARG 10 Ca 0.15 -0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1pcp n ARG 10 Cb 0.46 -1.04 0.00 0.00 0.00 0.00 0.00 32.46 31.88 1pcp n ARG 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pcp n GLN 11 N -1.52 1.13 -3.07 -0.14 10.64 -1.25 -4.79 117.38 118.37 1pcp n GLN 11 Ca -0.00 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.81 1pcp n GLN 11 Cb 0.16 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.48 1pcp n GLN 11 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1pcp s ASP 12 N -1.92 7.04 -1.19 2.61 -1.08 -1.26 -4.96 116.67 115.90 1pcp s ASP 12 Ca 0.00 1.44 -0.21 0.00 -0.52 0.00 0.00 52.55 53.26 1pcp s ASP 12 Cb 0.00 -2.43 -0.01 0.00 -1.46 0.00 0.00 42.92 39.02 1pcp s ASP 12 CO 0.00 -0.02 1.81 -2.16 0.52 0.00 0.00 175.17 175.31 1pcp s PRO 13 N -2.17 3.22 0.00 4.34 0.04 -1.26 -4.33 135.00 134.84 1pcp s PRO 13 Ca 0.46 -1.43 0.00 0.00 0.04 0.00 0.00 61.00 60.07 1pcp s PRO 13 Cb -0.16 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 29.02 1pcp s PRO 13 CO 0.20 -3.05 0.00 1.17 0.04 0.00 0.00 177.00 175.36 1pcp n LYS 14 N 8.44 0.00 0.00 4.56 0.00 -1.26 -5.01 118.16 124.89 1pcp n LYS 14 Ca 0.45 0.17 0.05 0.00 0.00 0.00 0.00 58.31 58.98 1pcp n LYS 14 Cb 0.47 -0.27 0.04 0.00 0.00 0.00 0.00 35.03 35.26 1pcp n LYS 14 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1pcp n ASN 15 N 0.00 1.74 -2.31 3.14 4.13 -1.26 -4.97 115.26 115.74 1pcp n ASN 15 Ca 0.00 -1.37 -0.14 0.00 1.68 0.00 0.00 54.58 54.75 1pcp n ASN 15 Cb 0.00 0.02 -0.01 0.00 -1.54 0.00 0.00 39.78 38.25 1pcp n ASN 15 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1pcp n ARG 16 N 0.48 -2.04 -4.35 3.52 0.63 -1.26 -4.93 116.66 108.70 1pcp n ARG 16 Ca 0.05 0.67 -0.23 0.00 -0.92 0.00 0.00 57.85 57.43 1pcp n ARG 16 Cb 0.23 -5.24 -0.11 0.00 0.45 0.00 0.00 32.46 27.79 1pcp n ARG 16 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1pcp s VAL 17 N -2.61 1.93 0.10 5.15 1.01 -1.26 -5.03 120.40 119.70 1pcp s VAL 17 Ca 0.00 -1.95 0.04 0.00 0.00 0.00 0.00 61.98 60.07 1pcp s VAL 17 Cb 0.00 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1pcp s VAL 17 CO 0.00 -0.28 -0.10 0.21 0.00 0.00 0.00 175.10 174.93 1pcp s ASN 18 N -2.68 1.51 -0.39 3.32 3.84 -1.26 -4.47 114.94 114.82 1pcp s ASN 18 Ca 0.17 -0.84 0.09 0.00 0.21 0.00 0.00 52.86 52.48 1pcp s ASN 18 Cb -0.06 0.00 0.28 0.00 -0.55 0.00 0.00 41.25 40.92 1pcp s ASN 18 CO 0.07 -0.27 0.58 0.00 -2.79 0.00 0.00 177.10 174.69 1pcp n GLY 20 N 1.12 -0.53 3.47 0.00 0.00 -1.26 -4.33 105.19 103.66 1pcp n GLY 20 Ca 0.22 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.76 2.05 -1.92 1.61 -0.71 -1.26 -5.01 117.98 108.97 1pcp s PHE 21 Ca 0.00 -0.82 0.24 0.00 -1.04 0.00 0.00 56.93 55.31 1pcp s PHE 21 Cb 0.00 -1.30 1.39 0.00 -1.21 0.00 0.00 43.02 41.90 1pcp s PHE 21 CO 0.00 0.17 1.79 -0.35 -1.34 0.00 0.00 175.22 175.49 1pcp n PRO 22 N -0.70 0.69 -0.07 1.99 -0.04 -1.26 -2.20 135.00 133.41 1pcp n PRO 22 Ca -0.04 0.01 0.05 0.00 -0.04 0.00 0.00 63.50 63.48 1pcp n PRO 22 Cb 0.66 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.70 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 0.52 3.81 3.76 0.55 0.00 -1.26 -5.04 105.19 107.52 1pcp n GLY 23 Ca 0.17 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 1pcp n GLY 23 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pcp s ILE 24 N -1.87 2.86 -0.08 -0.61 2.07 -0.94 -5.06 121.20 117.58 1pcp s ILE 24 Ca 0.17 0.28 0.02 0.00 -1.41 0.00 0.00 60.65 59.71 1pcp s ILE 24 Cb 0.14 -2.89 0.02 0.00 0.13 0.00 0.00 42.46 39.86 1pcp s ILE 24 CO 0.03 -0.37 -0.11 0.42 -1.91 0.00 0.00 174.94 173.00 1pcp s THR 25 N -3.04 1.14 0.00 4.00 -4.23 -1.26 -4.97 115.64 107.28 1pcp s THR 25 Ca 0.62 -0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 1pcp s THR 25 Cb -0.16 -1.06 0.00 0.00 1.34 0.00 0.00 72.50 72.62 1pcp s THR 25 CO 0.56 0.36 0.00 -1.54 -0.54 0.00 0.00 174.62 173.46 1pcp n SER 26 N 4.07 0.00 -0.12 3.99 3.41 -1.26 0.26 113.62 123.97 1pcp n SER 26 Ca -0.21 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.37 1pcp n SER 26 Cb 0.51 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 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 -1.50 -0.30 -0.01 4.04 -0.08 -1.26 0.30 116.55 117.74 1pcp n ASP 27 Ca 0.00 1.16 0.22 0.00 -1.51 0.00 0.00 54.79 54.66 1pcp n ASP 27 Cb 0.00 -0.40 0.71 0.00 2.34 0.00 0.00 41.12 43.78 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 -0.15 -0.67 1.08 0.31 2.40 115.11 118.08 1pcp h GLN 28 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1pcp h GLN 28 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1pcp h GLN 28 CO -0.26 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.62 1pcp n PHE 30 N 0.40 0.22 0.00 0.00 3.72 0.87 -2.83 117.46 119.84 1pcp n PHE 30 Ca 0.17 -0.82 0.00 0.00 -0.05 0.00 0.00 57.45 56.75 1pcp n PHE 30 Cb 0.36 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 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 0.24 0.00 -0.89 4.37 -1.04 0.88 -1.95 114.28 115.90 1pcp n THR 31 Ca 0.07 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.87 1pcp n THR 31 Cb 1.07 0.00 0.13 0.00 -1.82 0.00 0.00 70.33 69.71 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 0.00 4.28 0.00 8.00 7.64 -1.26 -4.02 113.62 128.26 1pcp n SER 32 Ca 0.00 -3.35 0.00 0.00 1.01 0.00 0.00 58.87 56.53 1pcp n SER 32 Cb 0.00 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 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 -0.78 0.57 0.00 0.23 0.00 -1.23 -5.10 105.19 98.88 1pcp n GLY 33 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1pcp n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pcp n PHE 36 N -1.85 -1.53 -3.29 0.00 7.35 -1.13 -2.52 117.46 114.49 1pcp n PHE 36 Ca -0.02 -2.91 -0.46 0.00 -0.76 0.00 0.00 57.45 53.29 1pcp n PHE 36 Cb 0.57 0.51 -0.03 0.00 0.35 0.00 0.00 39.48 40.88 1pcp n PHE 36 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1pcp s ASP 37 N 0.19 6.59 0.00 -2.13 2.15 -0.06 -4.83 116.67 118.57 1pcp s ASP 37 Ca 0.32 -2.37 0.28 0.00 0.43 0.00 0.00 52.55 51.22 1pcp s ASP 37 Cb 0.04 -2.23 1.14 0.00 -0.30 0.00 0.00 42.92 41.57 1pcp s ASP 37 CO -0.17 -0.70 1.84 -1.54 -0.17 0.00 0.00 175.17 174.43 1pcp n SER 38 N 4.55 0.18 0.14 -0.34 3.41 -1.26 -3.59 113.62 116.69 1pcp n SER 38 Ca 0.06 0.08 0.07 0.00 -0.26 0.00 0.00 58.87 58.83 1pcp n SER 38 Cb 0.45 -0.25 0.36 0.00 -0.26 0.00 0.00 64.21 64.51 1pcp n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pcp n GLN 39 N -1.38 0.09 -3.70 4.33 6.02 -1.26 -3.52 117.38 117.96 1pcp n GLN 39 Ca 0.09 0.56 -0.37 0.00 -0.01 0.00 0.00 57.00 57.26 1pcp n GLN 39 Cb 0.31 -1.98 -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 -3.29 3.75 0.24 5.09 1.01 -1.24 -5.07 120.40 120.89 1pcp s VAL 40 Ca -0.01 -2.64 -0.30 0.00 0.00 0.00 0.00 61.98 59.03 1pcp s VAL 40 Cb 0.04 -3.46 -0.09 0.00 0.00 0.00 0.00 36.38 32.87 1pcp s VAL 40 CO 0.12 -0.83 1.10 -2.16 0.00 0.00 0.00 175.10 173.32 1pcp s PRO 41 N 0.34 4.63 0.00 2.72 0.04 -1.23 -3.22 135.00 138.28 1pcp s PRO 41 Ca 0.14 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1pcp s PRO 41 Cb -0.21 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1pcp s PRO 41 CO -0.04 0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.58 1pcp n GLY 42 N 1.56 2.70 3.99 0.56 0.00 -1.26 -5.04 105.19 107.70 1pcp n GLY 42 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.76 2.31 -0.11 1.61 -7.23 -1.20 -5.06 120.40 107.96 1pcp s VAL 43 Ca 0.00 -1.12 -0.30 0.00 -1.81 0.00 0.00 61.98 58.75 1pcp s VAL 43 Cb 0.00 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.49 1pcp s VAL 43 CO 0.00 0.00 1.25 -2.16 -0.31 0.00 0.00 175.10 173.88 1pcp s PRO 44 N -4.47 4.28 -0.01 4.82 0.04 -1.26 -4.91 135.00 133.48 1pcp s PRO 44 Ca 0.54 1.69 -0.21 0.00 0.04 0.00 0.00 61.00 63.06 1pcp s PRO 44 Cb -0.06 -3.68 -0.26 0.00 0.04 0.00 0.00 34.50 30.55 1pcp s PRO 44 CO 0.33 -0.60 1.03 -1.49 0.04 0.00 0.00 177.00 176.32 1pcp h TRP 45 N 7.91 0.57 -3.05 0.56 6.55 -1.85 -3.41 115.95 123.24 1pcp h TRP 45 Ca -0.30 -0.34 -0.63 0.00 0.95 0.00 0.00 58.89 58.56 1pcp h TRP 45 Cb 1.13 -0.05 -0.14 0.00 -0.86 0.00 0.00 29.16 29.24 1pcp h TRP 45 CO 0.77 1.19 0.44 0.00 -1.05 0.00 0.00 178.44 179.79 1pcp n PHE 47 N 7.23 -0.19 -3.46 0.00 1.16 -1.05 0.43 117.46 121.58 1pcp n PHE 47 Ca -0.02 -1.60 -0.37 0.00 -1.87 0.00 0.00 57.45 53.59 1pcp n PHE 47 Cb 0.46 0.08 -0.07 0.00 -1.61 0.00 0.00 39.48 38.35 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 -2.86 4.29 0.15 3.97 0.00 -1.26 -2.25 119.74 121.76 1pcp s LYS 48 Ca 0.18 0.21 -0.02 0.00 0.00 0.00 0.00 55.97 56.33 1pcp s LYS 48 Cb 0.01 -3.43 0.03 0.00 0.00 0.00 0.00 37.83 34.44 1pcp s LYS 48 CO 0.13 0.21 0.16 -0.35 0.00 0.00 0.00 175.35 175.49 1pcp n PRO 49 N 3.63 -0.73 -3.15 1.78 -0.04 -1.26 -4.96 135.00 130.27 1pcp n PRO 49 Ca -0.10 -0.25 -0.20 0.00 -0.04 0.00 0.00 63.50 62.91 1pcp n PRO 49 Cb 0.52 -0.20 -0.03 0.00 -0.04 0.00 0.00 33.50 33.75 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 1.40 0.00 1.53 -0.00 -1.25 -5.09 117.00 113.60 1pcp n LEU 50 Ca 0.02 -5.11 0.00 0.00 -0.00 0.00 0.00 56.01 50.92 1pcp n LEU 50 Cb 0.08 0.51 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 1pcp n LEU 50 CO 0.05 2.30 0.00 -0.81 -0.00 0.00 0.00 177.39 178.93 1pcp n PRO 51 N 0.22 0.00 0.00 1.47 -0.04 -1.26 -4.25 135.00 131.15 1pcp n PRO 51 Ca 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1pcp n PRO 51 Cb 0.61 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.07 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 0.00 -1.00 0.55 0.00 -1.26 -4.81 120.51 110.99 1pcp n ALA 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pcp n ALA 52 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.14 0.24 0.00 1.13 -1.22 -4.55 117.38 112.85 1pcp n GLN 53 Ca 0.00 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.13 1pcp n GLN 53 Cb 0.00 0.00 0.37 0.00 0.11 0.00 0.00 30.24 30.72 1pcp n GLN 53 CO 0.00 0.00 0.00 1.05 -1.44 0.00 0.00 177.06 176.67 1pcp h GLU 54 N 0.00 0.00 0.00 -1.09 9.09 -1.99 -3.40 114.58 117.20 1pcp h GLU 54 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1pcp h GLU 54 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1pcp h GLU 54 CO 0.00 0.00 0.00 0.45 0.05 0.00 0.00 179.01 179.51 1pcp n SER 55 N -2.30 -0.29 0.00 3.06 2.88 -1.26 -5.02 113.62 110.69 1pcp n SER 55 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1pcp n SER 55 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1pcp n SER 55 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1pcp n GLU 56 N -0.29 0.00 -0.58 -1.46 2.13 -1.26 -4.84 120.64 114.35 1pcp n GLU 56 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 1pcp n GLU 56 Cb 0.00 -0.11 0.24 0.00 0.27 0.00 0.00 31.44 31.84 1pcp n GLU 56 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1pcp n GLU 57 N -1.84 3.33 0.00 5.31 1.02 -1.26 -3.80 120.64 123.40 1pcp n GLU 57 Ca 0.00 -1.96 0.13 0.00 -0.02 0.00 0.00 57.16 55.31 1pcp n GLU 57 Cb 0.00 -1.97 0.49 0.00 -0.02 0.00 0.00 31.44 29.94 1pcp n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pcp s VAL 59 N -2.50 2.98 -0.29 0.00 1.01 -1.25 -4.76 120.40 115.60 1pcp s VAL 59 Ca 0.26 0.37 -0.16 0.00 0.00 0.00 0.00 61.98 62.45 1pcp s VAL 59 Cb 0.20 -3.24 0.12 0.00 0.00 0.00 0.00 36.38 33.46 1pcp s VAL 59 CO 0.50 -0.01 0.83 -0.04 0.00 0.00 0.00 175.10 176.38 1pcp s MET 60 N 2.99 0.53 0.86 2.72 -1.94 -1.26 -5.01 119.30 118.19 1pcp s MET 60 Ca 0.77 0.96 -0.11 0.00 -1.71 0.00 0.00 55.69 55.60 1pcp s MET 60 Cb -0.41 0.17 0.11 0.00 2.01 0.00 0.00 34.83 36.71 1pcp s MET 60 CO 0.34 -0.12 1.09 -0.65 -0.01 0.00 0.00 175.02 175.67 1pcp s GLN 61 N 1.62 1.53 -1.05 2.03 -0.21 -1.26 -4.78 119.66 117.53 1pcp s GLN 61 Ca -0.09 1.02 -0.26 0.00 0.02 0.00 0.00 55.36 56.05 1pcp s GLN 61 Cb -0.05 -1.82 -0.18 0.00 1.00 0.00 0.00 33.01 31.95 1pcp s GLN 61 CO -0.17 -2.11 2.12 0.54 -2.12 0.00 0.00 175.29 173.55 1pcp s VAL 62 N -2.88 3.13 0.00 1.09 0.11 -1.26 -0.36 120.40 120.24 1pcp s VAL 62 Ca 0.63 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.48 1pcp s VAL 62 Cb -0.18 -3.95 0.00 0.00 -1.53 0.00 0.00 36.38 30.72 1pcp s VAL 62 CO 0.57 -0.24 0.00 -1.54 -3.33 0.00 0.00 175.10 170.56 1pcp n SER 63 N 18.49 0.00 0.16 3.54 3.41 -1.26 -4.95 113.62 133.01 1pcp n SER 63 Ca 0.43 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 59.16 1pcp n SER 63 Cb 0.46 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.58 1pcp n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pcp h ALA 64 N 0.00 0.85 -1.50 7.33 0.00 -1.00 -3.46 119.26 121.47 1pcp h ALA 64 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1pcp h ALA 64 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 17.79 17.91 1pcp h ALA 64 CO 0.00 0.00 -0.14 2.89 0.00 0.00 0.00 179.25 182.00 1pcp n ARG 65 N -2.78 -2.54 0.00 0.00 0.00 -1.24 -4.97 116.66 105.11 1pcp n ARG 65 Ca 0.03 -0.75 0.00 0.00 -0.00 0.00 0.00 57.85 57.13 1pcp n ARG 65 Cb 0.51 -1.49 0.00 0.00 -0.00 0.00 0.00 32.46 31.48 1pcp n ARG 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1pcp n LYS 66 N -2.08 3.10 -1.02 2.89 4.81 -1.26 -4.94 118.16 119.66 1pcp n LYS 66 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1pcp n LYS 66 Cb 0.33 -0.72 0.00 0.00 0.02 0.00 0.00 35.03 34.66 1pcp n LYS 66 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1pcp n ASN 67 N -0.74 -1.36 -1.57 3.14 3.02 -1.26 -4.92 115.26 111.57 1pcp n ASN 67 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1pcp n ASN 67 Cb 0.04 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.53 1pcp n ASN 67 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pcp n GLY 69 N 4.30 -0.36 3.34 0.00 0.00 -1.16 -4.37 105.19 106.94 1pcp n GLY 69 Ca 0.00 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.49 1.61 -1.21 1.61 1.13 -1.26 -4.96 117.35 113.78 1pcp s TYR 70 Ca 0.00 -1.06 -0.08 0.00 -1.41 0.00 0.00 57.07 54.52 1pcp s TYR 70 Cb 0.00 -0.97 -0.07 0.00 -1.10 0.00 0.00 41.96 39.82 1pcp s TYR 70 CO 0.00 -0.19 2.46 -0.35 -2.51 0.00 0.00 175.55 174.96 1pcp n PRO 71 N -0.49 2.75 0.00 -3.49 -0.04 -1.26 -2.71 135.00 129.77 1pcp n PRO 71 Ca -0.02 -1.79 0.00 0.00 -0.04 0.00 0.00 63.50 61.65 1pcp n PRO 71 Cb 0.66 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 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 3.71 0.16 3.21 0.55 0.00 -1.26 -5.14 105.19 106.42 1pcp n GLY 72 Ca 0.59 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.97 0.00 -3.62 -0.61 3.06 -1.10 -5.01 119.36 111.11 1pcp n ILE 73 Ca 0.00 -0.28 -0.22 0.00 -2.50 0.00 0.00 62.75 59.75 1pcp n ILE 73 Cb 0.00 -0.35 0.02 0.00 0.54 0.00 0.00 39.64 39.85 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 0.69 2.40 0.00 9.51 7.64 -1.26 -4.92 113.62 127.68 1pcp n SER 74 Ca 0.02 -2.62 0.00 0.00 1.01 0.00 0.00 58.87 57.28 1pcp n SER 74 Cb 0.58 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1pcp n SER 74 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1pcp n PRO 75 N -1.79 0.00 0.10 1.43 -0.04 -1.26 0.12 135.00 133.55 1pcp n PRO 75 Ca 0.03 0.42 0.06 0.00 -0.04 0.00 0.00 63.50 63.97 1pcp n PRO 75 Cb 0.56 -1.05 0.34 0.00 -0.04 0.00 0.00 33.50 33.32 1pcp n PRO 75 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1pcp n GLU 76 N -1.76 0.08 -0.09 0.54 1.02 -1.26 -1.81 120.64 117.35 1pcp n GLU 76 Ca 0.00 0.58 -0.17 0.00 -0.02 0.00 0.00 57.16 57.55 1pcp n GLU 76 Cb 0.00 -1.77 -0.08 0.00 -0.02 0.00 0.00 31.44 29.56 1pcp n GLU 76 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1pcp n ASP 77 N -1.94 1.84 -0.12 1.62 9.92 -1.24 -2.39 116.55 124.24 1pcp n ASP 77 Ca -0.01 0.49 -0.11 0.00 -0.53 0.00 0.00 54.79 54.63 1pcp n ASP 77 Cb 0.02 -0.94 -0.05 0.00 -0.64 0.00 0.00 41.12 39.51 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 0.34 1.00 -0.22 0.00 0.00 -1.34 1.90 119.26 120.95 1pcp h ALA 79 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pcp h ALA 79 Cb 0.59 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1pcp h ALA 79 CO -0.57 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.22 1pcp n ALA 80 N -2.38 3.00 0.00 0.00 0.00 0.65 -3.86 120.51 117.91 1pcp n ALA 80 Ca 0.07 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1pcp n ALA 80 Cb 0.11 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 0.24 0.00 0.00 0.00 5.12 1.23 -4.88 116.66 118.37 1pcp n ARG 81 Ca 0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 1pcp n ARG 81 Cb 0.59 -0.38 0.00 0.00 -1.16 0.00 0.00 32.46 31.51 1pcp n ARG 81 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1pcp n ASN 82 N -2.51 0.00 0.00 0.55 0.23 0.63 -5.03 115.26 109.13 1pcp n ASN 82 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1pcp n ASN 82 Cb 0.23 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 1pcp n ASN 82 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1pcp s PHE 85 N -3.29 0.02 -0.38 0.00 2.19 -1.23 -1.70 117.98 113.59 1pcp s PHE 85 Ca 0.61 -0.30 0.01 0.00 0.33 0.00 0.00 56.93 57.58 1pcp s PHE 85 Cb -0.13 -0.63 0.14 0.00 -1.31 0.00 0.00 43.02 41.09 1pcp s PHE 85 CO 0.53 -0.67 0.23 0.45 1.83 0.00 0.00 175.22 177.59 1pcp s SER 86 N 2.21 2.99 0.00 6.13 0.15 0.69 -3.38 113.70 122.49 1pcp s SER 86 Ca 0.06 -2.40 0.21 0.00 0.70 0.00 0.00 55.95 54.53 1pcp s SER 86 Cb -0.16 -0.56 1.17 0.00 -1.71 0.00 0.00 66.02 64.76 1pcp s SER 86 CO -0.20 -0.28 1.66 -0.90 1.20 0.00 0.00 173.24 174.72 1pcp n ASP 87 N 3.78 0.00 -0.27 5.45 5.75 -1.26 -3.87 116.55 126.14 1pcp n ASP 87 Ca 0.13 -0.34 0.24 0.00 -0.01 0.00 0.00 54.79 54.81 1pcp n ASP 87 Cb 0.37 -0.14 0.41 0.00 -1.03 0.00 0.00 41.12 40.73 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 -1.14 -0.19 -3.89 2.12 5.66 -1.26 -2.92 114.28 112.65 1pcp n THR 88 Ca 0.13 1.17 -0.35 0.00 -3.05 0.00 0.00 64.05 61.95 1pcp n THR 88 Cb 0.12 -1.91 -0.13 0.00 -1.55 0.00 0.00 70.33 66.86 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 -4.73 3.05 0.37 1.09 1.09 -1.25 -5.09 121.20 115.72 1pcp s ILE 89 Ca -0.05 -1.44 -0.26 0.00 -1.10 0.00 0.00 60.65 57.80 1pcp s ILE 89 Cb 0.20 -2.79 -0.09 0.00 -1.06 0.00 0.00 42.46 38.72 1pcp s ILE 89 CO 0.50 -0.17 1.06 -2.16 -0.10 0.00 0.00 174.94 174.07 1pcp s PRO 90 N 1.25 4.30 0.00 2.79 0.04 -1.15 -3.77 135.00 138.45 1pcp s PRO 90 Ca -0.04 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1pcp s PRO 90 Cb -0.20 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1pcp s PRO 90 CO -0.01 -0.04 0.00 -1.91 0.04 0.00 0.00 177.00 175.08 1pcp n GLU 91 N 0.29 0.00 -3.97 4.56 2.13 -1.26 -5.07 120.64 117.32 1pcp n GLU 91 Ca 0.03 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.75 1pcp n GLU 91 Cb 0.48 -2.18 -0.03 0.00 0.27 0.00 0.00 31.44 29.98 1pcp n GLU 91 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1pcp s VAL 92 N -2.24 0.00 -0.94 6.31 -7.23 -1.25 -5.09 120.40 109.97 1pcp s VAL 92 Ca 0.00 -1.33 -0.24 0.00 -1.81 0.00 0.00 61.98 58.60 1pcp s VAL 92 Cb 0.00 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.58 1pcp s VAL 92 CO 0.00 0.00 1.68 -2.16 -0.31 0.00 0.00 175.10 174.31 1pcp s PRO 93 N -3.56 3.07 0.40 4.82 0.04 -1.26 -4.79 135.00 133.73 1pcp s PRO 93 Ca 0.21 -0.65 0.10 0.00 0.04 0.00 0.00 61.00 60.71 1pcp s PRO 93 Cb -0.02 -5.14 0.89 0.00 0.04 0.00 0.00 34.50 30.26 1pcp s PRO 93 CO 0.11 -2.75 1.96 -1.49 0.04 0.00 0.00 177.00 174.87 1pcp h TRP 94 N 10.67 0.61 -2.86 0.56 6.55 -1.87 -3.31 115.95 126.30 1pcp h TRP 94 Ca 0.12 0.02 -0.69 0.00 0.95 0.00 0.00 58.89 59.28 1pcp h TRP 94 Cb 1.02 -0.20 -0.19 0.00 -0.86 0.00 0.00 29.16 28.93 1pcp h TRP 94 CO 1.24 0.30 0.24 0.00 -1.05 0.00 0.00 178.44 179.17 1pcp n PHE 96 N 6.49 -0.53 -4.24 0.00 -1.74 -0.69 0.27 117.46 117.03 1pcp n PHE 96 Ca -0.05 0.00 -0.32 0.00 -0.56 0.00 0.00 57.45 56.52 1pcp n PHE 96 Cb 0.44 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.35 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 -0.57 3.08 0.71 2.97 0.40 -1.26 -0.12 117.98 123.18 1pcp s PHE 97 Ca 0.00 0.07 -0.11 0.00 -0.60 0.00 0.00 56.93 56.29 1pcp s PHE 97 Cb 0.00 -1.65 0.02 0.00 0.51 0.00 0.00 43.02 41.90 1pcp s PHE 97 CO 0.00 0.47 1.07 -1.25 0.70 0.00 0.00 175.22 176.21 1pcp s PRO 98 N -1.73 2.80 0.13 0.24 0.04 -1.26 -4.72 135.00 130.49 1pcp s PRO 98 Ca 0.21 0.90 -0.07 0.00 0.04 0.00 0.00 61.00 62.08 1pcp s PRO 98 Cb -0.12 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1pcp s PRO 98 CO 0.12 -1.18 0.20 0.00 0.04 0.00 0.00 177.00 176.18 1pcp s MET 99 N -5.06 0.99 -0.92 4.56 0.23 -1.25 -5.10 119.30 112.74 1pcp s MET 99 Ca 0.58 -1.14 -0.02 0.00 -1.03 0.00 0.00 55.69 54.08 1pcp s MET 99 Cb -0.14 0.34 0.23 0.00 -1.53 0.00 0.00 34.83 33.72 1pcp s MET 99 CO 0.55 -0.33 0.83 0.43 -2.03 0.00 0.00 175.02 174.47 1pcp n SER 100 N -0.13 4.36 0.00 -1.18 7.64 -1.26 -4.87 113.62 118.18 1pcp n SER 100 Ca -0.10 -3.14 0.00 0.00 1.01 0.00 0.00 58.87 56.64 1pcp n SER 100 Cb 0.63 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 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 2.25 0.00 -0.75 0.44 0.24 -1.26 -4.98 118.33 114.27 1pcp n VAL 101 Ca 0.22 0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.59 1pcp n VAL 101 Cb 0.37 -0.89 0.00 0.00 -1.47 0.00 0.00 33.84 31.85 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 -1.39 7.34 2.13 -1.26 -5.02 120.64 122.45 1pcp n GLU 102 Ca 0.00 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.82 1pcp n GLU 102 Cb 0.00 -0.83 0.01 0.00 0.27 0.00 0.00 31.44 30.89 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 -0.61 -0.20 -0.01 4.31 8.00 -1.26 -5.04 116.55 121.74 1pcp n ASP 103 Ca 0.00 -0.95 -0.01 0.00 0.71 0.00 0.00 54.79 54.55 1pcp n ASP 103 Cb 0.23 0.09 -0.00 0.00 -0.02 0.00 0.00 41.12 41.41 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 -2.56 -2.05 -0.24 0.00 1.44 -1.26 -4.78 115.22 105.76 1pcp n HIS 105 Ca -0.01 1.04 0.00 0.00 -2.01 0.00 0.00 57.72 56.74 1pcp n HIS 105 Cb 0.03 -1.86 0.00 0.00 0.12 0.00 0.00 29.99 28.28 1pcp n HIS 105 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19