#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 0.00 0.00 3.44 5.02 -1.00 -4.68 118.16 120.94 1pcp n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1pcp n LYS 2 Cb 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 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 8.47 0.00 0.00 1.97 -0.04 -1.26 -5.07 135.00 139.07 1pcp n PRO 3 Ca 0.66 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 1pcp n PRO 3 Cb 0.03 -0.46 0.00 0.00 -0.04 0.00 0.00 33.50 33.03 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 -1.33 0.00 0.31 0.55 0.00 -1.26 -4.99 120.51 113.79 1pcp n ALA 4 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 1pcp n ALA 4 Cb 0.00 0.00 1.01 0.00 0.00 0.00 0.00 19.45 20.46 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 1.16 -0.05 0.00 0.00 -1.88 0.03 119.26 118.52 1pcp h ALA 5 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1pcp h ALA 5 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1pcp h ALA 5 CO 0.00 0.03 0.21 0.00 0.00 0.00 0.00 179.25 179.48 1pcp n ARG 7 N -3.16 2.58 0.00 0.00 3.00 -0.00 -4.28 116.66 114.80 1pcp n ARG 7 Ca -0.01 -3.71 0.00 0.00 -0.01 0.00 0.00 57.85 54.12 1pcp n ARG 7 Cb 0.28 -1.88 0.00 0.00 0.00 0.00 0.00 32.46 30.86 1pcp n ARG 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pcp h SER 9 N 0.00 0.00 -0.63 0.00 4.64 -0.95 0.18 113.55 116.79 1pcp h SER 9 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 1pcp h SER 9 Cb 0.00 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 61.89 1pcp h SER 9 CO 0.00 0.00 0.19 -1.14 -0.87 0.00 0.00 176.83 175.01 1pcp n ARG 10 N -4.09 2.08 0.00 4.77 0.63 -1.17 -4.92 116.66 113.96 1pcp n ARG 10 Ca 0.01 -3.18 0.00 0.00 -0.92 0.00 0.00 57.85 53.77 1pcp n ARG 10 Cb 0.29 -1.99 0.00 0.00 0.45 0.00 0.00 32.46 31.21 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 -1.11 0.00 -3.82 -0.14 -0.06 0.61 -4.44 117.38 108.42 1pcp n GLN 11 Ca 0.45 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 55.32 1pcp n GLN 11 Cb 1.24 0.00 -0.13 0.00 -4.06 0.00 0.00 30.24 27.28 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 -1.45 -0.10 0.00 1.69 -1.08 -1.26 -4.91 116.67 109.56 1pcp s ASP 12 Ca 0.00 0.21 -0.03 0.00 -0.52 0.00 0.00 52.55 52.21 1pcp s ASP 12 Cb 0.00 0.20 -0.12 0.00 -1.46 0.00 0.00 42.92 41.54 1pcp s ASP 12 CO 0.00 -0.05 2.30 -0.81 0.52 0.00 0.00 175.17 177.13 1pcp n PRO 13 N 3.18 1.19 0.00 4.34 -0.04 -1.26 -4.27 135.00 138.15 1pcp n PRO 13 Ca -0.14 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 62.87 1pcp n PRO 13 Cb 0.58 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 2.22 0.00 0.00 0.54 5.02 -1.26 -5.08 118.16 119.60 1pcp n LYS 14 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1pcp n LYS 14 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.57 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 0.95 -3.17 4.39 5.03 -1.26 -5.07 115.26 116.13 1pcp n ASN 15 Ca 0.00 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.31 1pcp n ASN 15 Cb 0.00 0.00 0.07 0.00 -1.02 0.00 0.00 39.78 38.83 1pcp n ASN 15 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1pcp n ARG 16 N -2.13 -2.88 -2.63 3.52 3.00 -1.26 -4.95 116.66 109.32 1pcp n ARG 16 Ca 0.00 0.81 -0.01 0.00 -0.01 0.00 0.00 57.85 58.64 1pcp n ARG 16 Cb 0.18 -5.60 0.08 0.00 0.00 0.00 0.00 32.46 27.12 1pcp n ARG 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1pcp n VAL 17 N -3.28 0.55 -0.96 1.55 0.31 -1.26 -5.13 118.33 110.12 1pcp n VAL 17 Ca -0.10 -1.79 -0.30 0.00 -0.01 0.00 0.00 64.34 62.13 1pcp n VAL 17 Cb 0.62 1.11 0.01 0.00 -0.91 0.00 0.00 33.84 34.67 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 -1.00 -2.66 -1.82 4.52 5.15 -1.26 -4.05 115.26 114.15 1pcp n ASN 18 Ca -0.07 0.53 -0.03 0.00 -0.60 0.00 0.00 54.58 54.42 1pcp n ASN 18 Cb 0.85 -0.65 0.07 0.00 -0.53 0.00 0.00 39.78 39.51 1pcp n ASN 18 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pcp n GLY 20 N -0.41 2.37 3.38 0.00 0.00 -1.24 -4.69 105.19 104.60 1pcp n GLY 20 Ca 0.17 -0.23 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.38 1.79 -1.91 1.61 -0.71 -1.26 -5.01 117.98 112.11 1pcp s PHE 21 Ca 0.00 -0.68 0.24 0.00 -1.04 0.00 0.00 56.93 55.45 1pcp s PHE 21 Cb 0.00 -0.95 1.38 0.00 -1.21 0.00 0.00 43.02 42.24 1pcp s PHE 21 CO 0.00 0.26 1.79 -0.35 -1.34 0.00 0.00 175.22 175.58 1pcp n PRO 22 N -0.47 0.68 -0.22 1.99 -0.04 -1.26 -2.17 135.00 133.51 1pcp n PRO 22 Ca -0.07 0.01 0.06 0.00 -0.04 0.00 0.00 63.50 63.47 1pcp n PRO 22 Cb 0.62 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.75 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 3.01 3.60 0.55 0.00 -1.26 -5.01 105.19 106.59 1pcp n GLY 23 Ca 0.17 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.34 1.61 0.10 -0.61 2.07 -0.92 -5.03 121.20 117.07 1pcp s ILE 24 Ca 0.26 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.50 1pcp s ILE 24 Cb 0.16 -2.50 0.00 0.00 0.13 0.00 0.00 42.46 40.25 1pcp s ILE 24 CO 0.14 0.00 0.00 0.35 -1.91 0.00 0.00 174.94 173.52 1pcp n THR 25 N -4.74 0.54 0.00 4.00 -2.24 -1.26 -5.07 114.28 105.50 1pcp n THR 25 Ca 0.13 0.18 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 1pcp n THR 25 Cb 0.59 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 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 -3.25 0.00 -0.25 3.42 3.41 -1.26 -4.98 113.62 110.71 1pcp n SER 26 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1pcp n SER 26 Cb 0.14 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.04 1pcp n SER 26 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1pcp h ASP 27 N 0.00 -1.70 -0.41 4.04 3.58 -1.98 2.14 116.42 122.09 1pcp h ASP 27 Ca 0.00 0.27 0.12 0.00 0.42 0.00 0.00 57.03 57.84 1pcp h ASP 27 Cb 0.00 0.76 -0.02 0.00 1.72 0.00 0.00 39.33 41.79 1pcp h ASP 27 CO 0.00 -0.32 0.41 1.56 -2.88 0.00 0.00 179.24 178.00 1pcp h GLN 28 N -0.19 0.00 0.16 0.28 1.08 -1.96 0.63 115.11 115.11 1pcp h GLN 28 Ca 0.17 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 57.06 1pcp h GLN 28 Cb 0.54 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.98 1pcp h GLN 28 CO -0.75 0.00 -1.50 0.00 -0.95 0.00 0.00 178.83 175.63 1pcp n PHE 30 N -3.54 0.00 -0.01 0.00 3.72 0.44 -2.10 117.46 115.97 1pcp n PHE 30 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 1pcp n PHE 30 Cb 1.06 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.54 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 -1.02 0.00 0.03 4.37 -1.04 0.16 -2.38 114.28 114.40 1pcp n THR 31 Ca 0.22 -0.49 0.08 0.00 -2.04 0.00 0.00 64.05 61.82 1pcp n THR 31 Cb 0.14 1.01 0.27 0.00 -1.82 0.00 0.00 70.33 69.92 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 -0.62 3.45 -0.05 8.00 7.64 -0.55 -4.83 113.62 126.66 1pcp n SER 32 Ca 0.00 -2.20 -0.01 0.00 1.01 0.00 0.00 58.87 57.68 1pcp n SER 32 Cb 0.00 -0.45 -0.00 0.00 -1.01 0.00 0.00 64.21 62.75 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 1.14 0.47 3.73 0.23 0.00 -1.25 -5.00 105.19 104.51 1pcp n GLY 33 Ca 0.19 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.70 -0.66 -0.34 0.00 5.36 -1.24 -1.67 117.98 116.72 1pcp s PHE 36 Ca 0.33 -0.11 0.03 0.00 -0.96 0.00 0.00 56.93 56.22 1pcp s PHE 36 Cb 0.05 -0.32 0.10 0.00 -0.34 0.00 0.00 43.02 42.51 1pcp s PHE 36 CO 0.18 -0.96 0.06 0.34 -1.46 0.00 0.00 175.22 173.37 1pcp s ASP 37 N 2.25 4.81 -0.26 6.13 -1.08 0.41 -4.89 116.67 124.03 1pcp s ASP 37 Ca 0.11 -2.11 0.04 0.00 -0.52 0.00 0.00 52.55 50.08 1pcp s ASP 37 Cb -0.13 -1.65 0.47 0.00 -1.46 0.00 0.00 42.92 40.15 1pcp s ASP 37 CO -0.26 -0.39 1.54 -1.20 0.52 0.00 0.00 175.17 175.39 1pcp n SER 38 N 4.30 3.68 0.10 -0.34 7.64 -1.26 -4.11 113.62 123.62 1pcp n SER 38 Ca 0.02 -2.96 0.10 0.00 1.01 0.00 0.00 58.87 57.05 1pcp n SER 38 Cb 0.42 -0.70 0.44 0.00 -1.01 0.00 0.00 64.21 63.36 1pcp n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pcp n GLN 39 N -0.34 0.14 -4.48 1.43 6.02 -1.26 -4.51 117.38 114.37 1pcp n GLN 39 Ca 0.35 0.41 -0.27 0.00 -0.01 0.00 0.00 57.00 57.47 1pcp n GLN 39 Cb 1.19 -1.78 -0.17 0.00 1.02 0.00 0.00 30.24 30.50 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 -3.25 1.33 0.33 5.09 1.01 -1.26 -5.12 120.40 118.53 1pcp s VAL 40 Ca 0.04 -0.56 -0.27 0.00 0.00 0.00 0.00 61.98 61.19 1pcp s VAL 40 Cb 0.09 -1.23 -0.09 0.00 0.00 0.00 0.00 36.38 35.15 1pcp s VAL 40 CO 0.33 0.41 1.07 -2.16 0.00 0.00 0.00 175.10 174.74 1pcp s PRO 41 N 0.91 4.45 0.00 2.72 0.04 -1.26 -4.10 135.00 137.76 1pcp s PRO 41 Ca -0.09 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1pcp s PRO 41 Cb -0.15 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.48 1pcp s PRO 41 CO 0.00 0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.53 1pcp n GLY 42 N 0.84 2.10 3.09 0.56 0.00 -1.26 -4.97 105.19 105.55 1pcp n GLY 42 Ca 0.01 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 1pcp n GLY 42 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1pcp n VAL 43 N 0.00 0.00 -2.40 1.61 0.24 -1.26 -4.79 118.33 111.74 1pcp n VAL 43 Ca 0.00 -0.27 -0.43 0.00 -2.04 0.00 0.00 64.34 61.60 1pcp n VAL 43 Cb 0.00 -0.16 -0.02 0.00 -1.47 0.00 0.00 33.84 32.19 1pcp n VAL 43 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1pcp s PRO 44 N -2.41 4.09 0.03 7.34 0.04 -1.26 -4.89 135.00 137.94 1pcp s PRO 44 Ca 0.43 1.52 -0.17 0.00 0.04 0.00 0.00 61.00 62.82 1pcp s PRO 44 Cb -0.08 -3.83 -0.28 0.00 0.04 0.00 0.00 34.50 30.35 1pcp s PRO 44 CO 0.73 -0.90 1.08 -1.49 0.04 0.00 0.00 177.00 176.47 1pcp h TRP 45 N 8.78 0.89 -3.60 0.56 6.55 -1.87 -3.42 115.95 123.86 1pcp h TRP 45 Ca -0.27 -0.55 -0.63 0.00 0.95 0.00 0.00 58.89 58.39 1pcp h TRP 45 Cb 1.11 -0.08 -0.13 0.00 -0.86 0.00 0.00 29.16 29.19 1pcp h TRP 45 CO 0.84 1.39 0.31 0.00 -1.05 0.00 0.00 178.44 179.94 1pcp n PHE 47 N 6.65 0.00 -4.17 0.00 1.16 -0.67 0.20 117.46 120.63 1pcp n PHE 47 Ca 0.01 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.25 1pcp n PHE 47 Cb 0.48 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.25 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 -0.37 3.56 1.00 3.97 0.00 -1.26 -0.31 119.74 126.32 1pcp s LYS 48 Ca 0.00 -0.36 -0.15 0.00 0.00 0.00 0.00 55.97 55.46 1pcp s LYS 48 Cb 0.00 -3.03 0.19 0.00 0.00 0.00 0.00 37.83 34.99 1pcp s LYS 48 CO 0.00 0.47 1.18 -1.25 0.00 0.00 0.00 175.35 175.74 1pcp s PRO 49 N -0.20 0.43 -0.57 1.78 0.04 -1.26 -4.91 135.00 130.32 1pcp s PRO 49 Ca 0.07 0.02 0.07 0.00 0.04 0.00 0.00 61.00 61.19 1pcp s PRO 49 Cb -0.12 -1.78 0.26 0.00 0.04 0.00 0.00 34.50 32.90 1pcp s PRO 49 CO 0.02 -2.63 0.72 1.47 0.04 0.00 0.00 177.00 176.62 1pcp n LEU 50 N -4.01 2.95 -4.79 -3.56 -0.00 -1.23 -5.09 117.00 101.27 1pcp n LEU 50 Ca 0.10 -5.29 -0.29 0.00 -0.00 0.00 0.00 56.01 50.53 1pcp n LEU 50 Cb 0.59 -0.31 0.12 0.00 -0.00 0.00 0.00 43.42 43.82 1pcp n LEU 50 CO 0.51 2.11 0.71 -2.16 -0.00 0.00 0.00 177.39 178.56 1pcp s PRO 51 N -2.32 1.46 -0.29 1.47 0.04 -1.26 -4.82 135.00 129.27 1pcp s PRO 51 Ca 0.40 0.40 -0.19 0.00 0.04 0.00 0.00 61.00 61.66 1pcp s PRO 51 Cb 0.18 -1.87 0.18 0.00 0.04 0.00 0.00 34.50 33.03 1pcp s PRO 51 CO -0.05 -2.00 1.17 0.00 0.04 0.00 0.00 177.00 176.16 1pcp s ALA 52 N -3.24 -2.39 0.58 8.56 0.00 -1.26 -5.12 121.76 118.89 1pcp s ALA 52 Ca 0.63 1.99 0.00 0.00 0.00 0.00 0.00 51.96 54.58 1pcp s ALA 52 Cb -0.15 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1pcp s ALA 52 CO 0.54 -0.28 0.00 1.04 0.00 0.00 0.00 175.76 177.06 1pcp n GLN 53 N 2.93 -3.26 0.00 0.00 3.00 -1.26 -4.16 117.38 114.63 1pcp n GLN 53 Ca -0.16 2.60 0.10 0.00 -0.01 0.00 0.00 57.00 59.53 1pcp n GLN 53 Cb 0.57 -3.85 0.55 0.00 0.00 0.00 0.00 30.24 27.51 1pcp n GLN 53 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1pcp n GLU 54 N -4.34 0.42 -2.54 -1.09 -0.58 -1.26 -4.75 120.64 106.51 1pcp n GLU 54 Ca -0.08 0.06 -0.41 0.00 -0.42 0.00 0.00 57.16 56.31 1pcp n GLU 54 Cb 0.68 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 30.02 1pcp n GLU 54 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1pcp s SER 55 N -2.36 7.26 -0.68 1.62 0.01 -1.26 -4.99 113.70 113.29 1pcp s SER 55 Ca 0.24 1.99 0.05 0.00 1.31 0.00 0.00 55.95 59.54 1pcp s SER 55 Cb 0.14 -2.59 0.17 0.00 0.21 0.00 0.00 66.02 63.94 1pcp s SER 55 CO 0.28 -0.27 0.47 -1.61 0.41 0.00 0.00 173.24 172.53 1pcp s GLU 56 N 0.16 2.39 0.00 12.44 2.02 -1.26 -4.58 118.70 129.87 1pcp s GLU 56 Ca 0.52 -3.27 0.00 0.00 0.02 0.00 0.00 54.97 52.24 1pcp s GLU 56 Cb -0.28 -3.37 0.00 0.00 0.10 0.00 0.00 34.13 30.58 1pcp s GLU 56 CO 0.32 -1.28 0.00 -0.85 0.02 0.00 0.00 175.26 173.48 1pcp n GLU 57 N 2.07 0.00 -0.09 1.61 0.28 -1.26 -4.94 120.64 118.31 1pcp n GLU 57 Ca 0.19 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.22 1pcp n GLU 57 Cb 0.35 0.00 0.08 0.00 1.43 0.00 0.00 31.44 33.30 1pcp n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1pcp s VAL 59 N -1.76 4.91 -0.08 0.00 1.01 -1.26 -4.90 120.40 118.32 1pcp s VAL 59 Ca 0.12 1.11 -0.31 0.00 0.00 0.00 0.00 61.98 62.90 1pcp s VAL 59 Cb 0.06 -3.86 0.11 0.00 0.00 0.00 0.00 36.38 32.70 1pcp s VAL 59 CO 0.08 0.49 1.38 0.00 0.00 0.00 0.00 175.10 177.06 1pcp s MET 60 N -0.62 0.08 0.65 2.72 0.23 -1.26 -4.81 119.30 116.29 1pcp s MET 60 Ca 0.28 -0.05 -0.12 0.00 -1.03 0.00 0.00 55.69 54.77 1pcp s MET 60 Cb -0.18 0.02 -0.02 0.00 -1.53 0.00 0.00 34.83 33.13 1pcp s MET 60 CO 0.16 -0.04 1.05 -0.65 -2.03 0.00 0.00 175.02 173.51 1pcp s GLN 61 N -2.03 3.25 0.40 3.16 -0.21 -1.26 -4.86 119.66 118.11 1pcp s GLN 61 Ca 0.26 0.93 0.12 0.00 0.02 0.00 0.00 55.36 56.69 1pcp s GLN 61 Cb 0.02 -2.03 0.93 0.00 1.00 0.00 0.00 33.01 32.94 1pcp s GLN 61 CO -0.04 -0.85 1.92 -0.39 -2.12 0.00 0.00 175.29 173.81 1pcp h VAL 62 N -0.34 0.86 0.00 1.09 -1.51 -1.96 0.65 116.25 115.04 1pcp h VAL 62 Ca -0.44 -0.19 -0.03 0.00 -1.23 0.00 0.00 66.70 64.81 1pcp h VAL 62 Cb 1.20 0.26 -0.00 0.00 -2.13 0.00 0.00 31.29 30.62 1pcp h VAL 62 CO 0.59 0.10 -0.15 -1.28 -1.23 0.00 0.00 177.57 175.60 1pcp h SER 63 N 0.55 0.00 -0.20 4.19 0.87 -2.00 -3.14 113.55 113.81 1pcp h SER 63 Ca 0.37 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.82 1pcp h SER 63 Cb 0.68 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1pcp h SER 63 CO -0.13 0.15 -0.31 0.00 -0.53 0.00 0.00 176.83 176.00 1pcp h ALA 64 N 1.85 0.30 -2.74 6.23 0.00 -0.07 -3.43 119.26 121.40 1pcp h ALA 64 Ca -0.00 -0.41 -0.53 0.00 0.00 0.00 0.00 54.91 53.97 1pcp h ALA 64 Cb 0.93 -0.06 0.05 0.00 0.00 0.00 0.00 17.79 18.72 1pcp h ALA 64 CO 0.02 0.33 0.72 1.03 0.00 0.00 0.00 179.25 181.35 1pcp s ARG 65 N -4.14 4.30 0.00 0.00 0.52 -0.61 -4.95 118.95 114.07 1pcp s ARG 65 Ca -0.13 2.24 0.00 0.00 -0.52 0.00 0.00 55.73 57.32 1pcp s ARG 65 Cb 0.07 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.41 1pcp s ARG 65 CO 0.81 -0.36 0.00 1.63 0.02 0.00 0.00 175.30 177.39 1pcp n LYS 66 N 2.30 0.00 -3.09 3.54 5.02 -1.26 -4.87 118.16 119.80 1pcp n LYS 66 Ca 0.06 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.38 1pcp n LYS 66 Cb 0.41 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.42 1pcp n LYS 66 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1pcp s ASN 67 N -1.00 -1.14 -0.58 4.39 -0.87 -1.26 -4.56 114.94 109.91 1pcp s ASN 67 Ca 0.00 -0.31 0.06 0.00 -1.57 0.00 0.00 52.86 51.04 1pcp s ASN 67 Cb 0.00 1.55 0.27 0.00 -0.02 0.00 0.00 41.25 43.05 1pcp s ASN 67 CO 0.00 -0.16 0.76 0.00 -2.57 0.00 0.00 177.10 175.13 1pcp n GLY 69 N 0.66 -1.34 3.47 0.00 0.00 -1.26 -4.06 105.19 102.67 1pcp n GLY 69 Ca 0.29 -1.35 -0.24 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 -2.63 2.27 -0.80 1.61 1.13 -1.26 -5.00 117.35 112.68 1pcp s TYR 70 Ca 0.00 -0.36 -0.06 0.00 -1.41 0.00 0.00 57.07 55.24 1pcp s TYR 70 Cb 0.00 -1.02 -0.11 0.00 -1.10 0.00 0.00 41.96 39.73 1pcp s TYR 70 CO 0.00 0.69 2.61 -0.35 -2.51 0.00 0.00 175.55 175.98 1pcp n PRO 71 N -0.63 2.34 0.00 -3.49 -0.04 -1.26 -2.69 135.00 129.24 1pcp n PRO 71 Ca -0.05 -1.42 0.00 0.00 -0.04 0.00 0.00 63.50 61.99 1pcp n PRO 71 Cb 0.60 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 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 3.32 0.25 2.96 0.55 0.00 -1.26 -5.14 105.19 105.87 1pcp n GLY 72 Ca 0.50 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.25 0.00 -3.33 -0.61 3.06 -1.09 -4.98 119.36 111.16 1pcp n ILE 73 Ca 0.00 -0.49 -0.22 0.00 -2.50 0.00 0.00 62.75 59.54 1pcp n ILE 73 Cb 0.00 0.00 0.04 0.00 0.54 0.00 0.00 39.64 40.22 1pcp n ILE 73 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1pcp s SER 74 N -0.98 4.91 -0.05 9.51 0.15 -1.26 -4.92 113.70 121.06 1pcp s SER 74 Ca 0.40 -1.02 -0.08 0.00 0.70 0.00 0.00 55.95 55.96 1pcp s SER 74 Cb -0.19 0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 64.49 1pcp s SER 74 CO 0.81 -1.30 0.36 1.55 1.20 0.00 0.00 173.24 175.86 1pcp h PRO 75 N 0.34 -0.26 0.00 5.44 0.13 -1.96 0.74 132.00 136.43 1pcp h PRO 75 Ca -0.31 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1pcp h PRO 75 Cb 1.29 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1pcp h PRO 75 CO 0.46 -0.18 0.00 0.39 -0.23 0.00 0.00 178.00 178.44 1pcp n GLU 76 N -4.39 0.08 -0.10 0.86 1.02 -1.26 -2.30 120.64 114.55 1pcp n GLU 76 Ca -0.03 0.19 -0.17 0.00 -0.02 0.00 0.00 57.16 57.13 1pcp n GLU 76 Cb 0.11 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 29.94 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 -1.43 1.85 0.19 1.62 9.92 -1.23 -2.65 116.55 124.80 1pcp n ASP 77 Ca 0.05 0.48 -0.17 0.00 -0.53 0.00 0.00 54.79 54.62 1pcp n ASP 77 Cb 0.17 -0.93 -0.10 0.00 -0.64 0.00 0.00 41.12 39.62 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 -0.68 1.09 -0.12 0.00 0.00 -1.49 2.07 119.26 120.14 1pcp h ALA 79 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pcp h ALA 79 Cb 0.81 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1pcp h ALA 79 CO -0.20 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.12 1pcp n ALA 80 N -2.38 2.53 0.00 0.00 0.00 -0.50 -3.69 120.51 116.48 1pcp n ALA 80 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1pcp n ALA 80 Cb 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.10 0.00 0.00 0.00 5.12 0.70 -4.92 116.66 117.46 1pcp n ARG 81 Ca 0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 1pcp n ARG 81 Cb 0.16 -0.57 0.00 0.00 -1.16 0.00 0.00 32.46 30.89 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 -2.91 0.00 0.00 0.55 5.03 0.63 -5.04 115.26 113.53 1pcp n ASN 82 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1pcp n ASN 82 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.25 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 -3.01 -0.01 -0.53 0.00 2.19 -1.25 -2.21 117.98 113.16 1pcp s PHE 85 Ca 0.63 -0.35 0.04 0.00 0.33 0.00 0.00 56.93 57.57 1pcp s PHE 85 Cb -0.17 -0.64 0.15 0.00 -1.31 0.00 0.00 43.02 41.06 1pcp s PHE 85 CO 0.56 -0.73 0.35 0.45 1.83 0.00 0.00 175.22 177.68 1pcp s SER 86 N 2.22 3.66 0.00 6.13 0.15 0.52 -4.91 113.70 121.47 1pcp s SER 86 Ca 0.07 -3.16 0.18 0.00 0.70 0.00 0.00 55.95 53.74 1pcp s SER 86 Cb -0.15 -1.17 0.95 0.00 -1.71 0.00 0.00 66.02 63.93 1pcp s SER 86 CO -0.24 -0.18 1.55 -0.90 1.20 0.00 0.00 173.24 174.66 1pcp n ASP 87 N 2.84 0.00 -0.05 5.45 5.75 -1.26 -4.04 116.55 125.24 1pcp n ASP 87 Ca 0.16 -0.08 0.02 0.00 -0.01 0.00 0.00 54.79 54.89 1pcp n ASP 87 Cb 0.37 -0.24 0.04 0.00 -1.03 0.00 0.00 41.12 40.26 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 -1.24 -0.06 -4.26 2.12 5.66 -1.26 -3.88 114.28 111.37 1pcp n THR 88 Ca 0.10 0.33 -0.29 0.00 -3.05 0.00 0.00 64.05 61.13 1pcp n THR 88 Cb 0.13 -0.47 -0.10 0.00 -1.55 0.00 0.00 70.33 68.34 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 -4.88 3.19 0.00 1.09 1.09 -1.26 -5.11 121.20 115.32 1pcp s ILE 89 Ca -0.02 -1.41 0.00 0.00 -1.10 0.00 0.00 60.65 58.12 1pcp s ILE 89 Cb 0.04 -2.50 0.00 0.00 -1.06 0.00 0.00 42.46 38.94 1pcp s ILE 89 CO 0.12 0.06 0.00 -0.81 -0.10 0.00 0.00 174.94 174.21 1pcp n PRO 90 N 0.59 0.00 -1.04 2.79 -0.04 -1.25 -4.43 135.00 131.62 1pcp n PRO 90 Ca -0.13 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.21 1pcp n PRO 90 Cb 0.53 -0.01 -0.05 0.00 -0.04 0.00 0.00 33.50 33.93 1pcp n PRO 90 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1pcp n GLU 91 N 0.00 0.02 -3.57 0.54 0.28 -1.26 -4.60 120.64 112.05 1pcp n GLU 91 Ca 0.00 -0.55 -0.05 0.00 -0.16 0.00 0.00 57.16 56.40 1pcp n GLU 91 Cb 0.00 -1.91 -0.02 0.00 1.43 0.00 0.00 31.44 30.94 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 5.89 0.00 -1.11 3.84 -7.23 -1.26 -5.08 120.40 115.45 1pcp s VAL 92 Ca 0.30 -0.08 -0.22 0.00 -1.81 0.00 0.00 61.98 60.17 1pcp s VAL 92 Cb 0.02 -1.18 -0.00 0.00 0.56 0.00 0.00 36.38 35.77 1pcp s VAL 92 CO 0.10 0.00 1.77 -2.16 -0.31 0.00 0.00 175.10 174.50 1pcp s PRO 93 N -2.77 3.17 0.39 4.82 0.04 -1.26 -4.77 135.00 134.61 1pcp s PRO 93 Ca 0.08 -1.18 0.18 0.00 0.04 0.00 0.00 61.00 60.13 1pcp s PRO 93 Cb -0.00 -5.31 1.10 0.00 0.04 0.00 0.00 34.50 30.32 1pcp s PRO 93 CO -0.06 -2.96 1.75 -1.49 0.04 0.00 0.00 177.00 174.29 1pcp h TRP 94 N 9.53 0.70 -3.49 0.56 4.06 -1.86 -3.34 115.95 122.11 1pcp h TRP 94 Ca 0.25 0.02 -0.62 0.00 2.06 0.00 0.00 58.89 60.60 1pcp h TRP 94 Cb 0.95 -0.20 -0.16 0.00 -1.00 0.00 0.00 29.16 28.75 1pcp h TRP 94 CO 1.29 0.03 -0.54 0.00 -3.56 0.00 0.00 178.44 175.66 1pcp n PHE 96 N 4.11 -0.09 -4.03 0.00 -1.74 -0.94 -1.23 117.46 113.55 1pcp n PHE 96 Ca -0.16 -0.32 -0.35 0.00 -0.56 0.00 0.00 57.45 56.06 1pcp n PHE 96 Cb 0.52 0.03 -0.09 0.00 1.52 0.00 0.00 39.48 41.46 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 -2.13 3.30 0.89 2.97 0.40 -1.26 -1.49 117.98 120.67 1pcp s PHE 97 Ca 0.04 0.18 -0.12 0.00 -0.60 0.00 0.00 56.93 56.44 1pcp s PHE 97 Cb 0.00 -2.01 0.13 0.00 0.51 0.00 0.00 43.02 41.65 1pcp s PHE 97 CO 0.03 0.32 1.13 -1.25 0.70 0.00 0.00 175.22 176.15 1pcp s PRO 98 N -0.09 1.31 0.00 0.24 0.04 -1.26 -3.84 135.00 131.40 1pcp s PRO 98 Ca 0.07 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.46 1pcp s PRO 98 Cb -0.12 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1pcp s PRO 98 CO 0.01 -2.09 0.00 -0.12 0.04 0.00 0.00 177.00 174.84 1pcp n MET 99 N -3.70 0.00 -0.64 4.56 0.00 -1.26 -4.90 117.12 111.17 1pcp n MET 99 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 57.70 57.51 1pcp n MET 99 Cb 0.59 -0.94 -0.04 0.00 0.00 0.00 0.00 33.22 32.83 1pcp n MET 99 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1pcp n SER 100 N 0.00 2.56 0.00 6.12 7.64 -1.25 -3.91 113.62 124.78 1pcp n SER 100 Ca 0.00 -2.37 0.00 0.00 1.01 0.00 0.00 58.87 57.51 1pcp n SER 100 Cb 0.00 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 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 5.28 0.00 -1.82 0.44 0.24 -1.26 -4.95 118.33 116.25 1pcp n VAL 101 Ca 0.36 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.60 1pcp n VAL 101 Cb 0.21 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.57 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 -1.89 -0.22 7.34 0.28 -1.25 -4.57 120.64 120.32 1pcp n GLU 102 Ca 0.00 0.30 0.00 0.00 -0.16 0.00 0.00 57.16 57.30 1pcp n GLU 102 Cb 0.00 -4.63 0.00 0.00 1.43 0.00 0.00 31.44 28.24 1pcp n GLU 102 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1pcp n ASP 103 N -0.64 0.01 -4.68 -1.84 8.00 -1.26 -5.06 116.55 111.07 1pcp n ASP 103 Ca -0.06 -1.44 -0.42 0.00 0.71 0.00 0.00 54.79 53.58 1pcp n ASP 103 Cb 0.37 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 1pcp n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pcp s HIS 105 N 2.13 1.08 -1.97 0.00 -3.43 -1.26 -4.80 115.29 107.04 1pcp s HIS 105 Ca 0.42 -1.28 0.16 0.00 -0.80 0.00 0.00 55.06 53.56 1pcp s HIS 105 Cb -0.17 -0.32 0.12 0.00 -1.43 0.00 0.00 32.58 30.78 1pcp s HIS 105 CO 0.14 -0.87 1.00 0.66 -2.00 0.00 0.00 174.74 173.66