#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 4.60 0.07 3.44 1.02 -1.18 -4.27 119.74 123.42 1pcp s LYS 2 Ca 0.00 1.86 -0.15 0.00 0.02 0.00 0.00 55.97 57.70 1pcp s LYS 2 Cb 0.00 -3.16 -0.21 0.00 -0.52 0.00 0.00 37.83 33.94 1pcp s LYS 2 CO 0.00 0.15 1.21 -1.00 -0.92 0.00 0.00 175.35 174.80 1pcp h PRO 3 N 3.74 0.68 0.00 -1.68 0.13 -1.87 -3.47 132.00 129.52 1pcp h PRO 3 Ca -0.47 -0.67 0.00 0.00 -0.87 0.00 0.00 66.00 63.99 1pcp h PRO 3 Cb 1.21 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1pcp h PRO 3 CO 0.67 1.26 0.00 0.00 -0.23 0.00 0.00 178.00 179.70 1pcp n ALA 4 N -2.62 0.00 0.00 -0.56 0.00 -1.26 -4.94 120.51 111.12 1pcp n ALA 4 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1pcp n ALA 4 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.25 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 0.21 0.00 0.00 -1.26 -4.62 120.51 114.84 1pcp n ALA 5 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1pcp n ALA 5 Cb 0.00 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.12 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 -2.38 3.32 0.17 0.00 3.00 -1.26 -4.16 116.66 115.34 1pcp n ARG 7 Ca -0.01 -3.91 0.00 0.00 -0.01 0.00 0.00 57.85 53.92 1pcp n ARG 7 Cb 0.06 -2.26 0.00 0.00 0.00 0.00 0.00 32.46 30.26 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 -0.49 0.00 4.64 -1.41 -1.64 113.55 114.65 1pcp h SER 9 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1pcp h SER 9 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1pcp h SER 9 CO 0.00 0.23 0.04 0.54 -0.87 0.00 0.00 176.83 176.76 1pcp n ARG 10 N -3.83 4.00 0.00 4.77 5.12 -1.26 -4.84 116.66 120.62 1pcp n ARG 10 Ca -0.02 -3.06 0.00 0.00 -1.93 0.00 0.00 57.85 52.85 1pcp n ARG 10 Cb 0.32 -2.11 0.00 0.00 -1.16 0.00 0.00 32.46 29.51 1pcp n ARG 10 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1pcp n GLN 11 N 0.08 0.00 -3.71 5.56 1.13 -0.62 -4.54 117.38 115.28 1pcp n GLN 11 Ca 0.28 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 55.20 1pcp n GLN 11 Cb 1.13 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 31.39 1pcp n GLN 11 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1pcp s ASP 12 N -2.08 -0.37 0.00 1.08 -1.08 -1.26 -4.85 116.67 108.10 1pcp s ASP 12 Ca 0.00 0.51 0.00 0.00 -0.52 0.00 0.00 52.55 52.54 1pcp s ASP 12 Cb 0.00 0.59 0.00 0.00 -1.46 0.00 0.00 42.92 42.05 1pcp s ASP 12 CO 0.00 -0.35 0.66 -0.81 0.52 0.00 0.00 175.17 175.19 1pcp n PRO 13 N 1.86 0.75 0.00 4.34 -0.04 -1.26 -4.13 135.00 136.51 1pcp n PRO 13 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1pcp n PRO 13 Cb 0.57 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 1pcp n PRO 13 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1pcp n LYS 14 N 0.50 0.00 0.00 0.54 5.02 -1.26 -5.05 118.16 117.92 1pcp n LYS 14 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1pcp n LYS 14 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.34 1pcp n LYS 14 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1pcp n ASN 15 N 0.00 0.51 -0.19 4.39 3.02 -1.26 -5.13 115.26 116.60 1pcp n ASN 15 Ca 0.00 -1.12 0.01 0.00 -0.03 0.00 0.00 54.58 53.44 1pcp n ASN 15 Cb 0.00 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1pcp n ASN 15 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1pcp n ARG 16 N -0.06 -0.13 0.00 3.52 1.85 -1.26 -5.01 116.66 115.58 1pcp n ARG 16 Ca 0.00 0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.93 1pcp n ARG 16 Cb 0.22 -0.16 0.00 0.00 -1.05 0.00 0.00 32.46 31.48 1pcp n ARG 16 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1pcp n VAL 17 N -0.55 -0.74 -4.22 8.89 0.31 -1.26 -4.90 118.33 115.86 1pcp n VAL 17 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 1pcp n VAL 17 Cb 0.03 -0.55 -0.12 0.00 -0.91 0.00 0.00 33.84 32.29 1pcp n VAL 17 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1pcp s ASN 18 N -0.92 1.45 -0.39 4.52 4.22 -1.26 -4.49 114.94 118.08 1pcp s ASN 18 Ca 0.00 -0.51 0.11 0.00 -2.14 0.00 0.00 52.86 50.32 1pcp s ASN 18 Cb 0.00 -0.06 0.34 0.00 1.28 0.00 0.00 41.25 42.81 1pcp s ASN 18 CO 0.00 -0.05 0.72 0.00 -2.04 0.00 0.00 177.10 175.73 1pcp n GLY 20 N 0.38 1.85 3.39 0.00 0.00 -1.26 -4.50 105.19 105.06 1pcp n GLY 20 Ca 0.25 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.26 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 1.02 -0.13 -0.48 1.61 -0.71 -1.26 -5.10 117.98 112.92 1pcp s PHE 21 Ca 0.00 -0.19 -0.28 0.00 -1.04 0.00 0.00 56.93 55.41 1pcp s PHE 21 Cb 0.00 0.29 0.01 0.00 -1.21 0.00 0.00 43.02 42.11 1pcp s PHE 21 CO 0.00 -0.78 1.45 -1.25 -1.34 0.00 0.00 175.22 173.30 1pcp s PRO 22 N -3.84 3.40 0.00 1.99 0.04 -1.26 -2.45 135.00 132.88 1pcp s PRO 22 Ca 0.06 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.85 1pcp s PRO 22 Cb 0.01 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1pcp s PRO 22 CO -0.08 -1.79 0.00 0.41 0.04 0.00 0.00 177.00 175.58 1pcp n GLY 23 N 5.21 1.20 3.41 0.56 0.00 -1.26 -5.12 105.19 109.19 1pcp n GLY 23 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.01 -0.61 3.06 -1.03 -5.01 119.36 115.77 1pcp n ILE 24 Ca 0.00 -0.44 -0.05 0.00 -2.50 0.00 0.00 62.75 59.76 1pcp n ILE 24 Cb 0.00 -0.96 -0.02 0.00 0.54 0.00 0.00 39.64 39.20 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 -5.09 0.88 0.00 9.51 -2.24 -1.26 -5.10 114.28 110.98 1pcp n THR 25 Ca 0.03 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1pcp n THR 25 Cb 0.55 -1.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.08 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 -3.55 0.00 -0.30 3.42 3.41 -1.26 -4.98 113.62 110.35 1pcp n SER 26 Ca -0.09 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.42 1pcp n SER 26 Cb 0.36 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.24 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 -1.87 -0.55 4.04 1.82 -1.99 2.45 116.42 120.32 1pcp h ASP 27 Ca 0.00 0.29 0.16 0.00 -0.39 0.00 0.00 57.03 57.09 1pcp h ASP 27 Cb 0.00 0.83 -0.02 0.00 0.68 0.00 0.00 39.33 40.82 1pcp h ASP 27 CO 0.00 -0.30 0.48 1.56 -1.61 0.00 0.00 179.24 179.37 1pcp h GLN 28 N -0.14 0.00 0.00 0.28 1.08 -1.97 1.24 115.11 115.60 1pcp h GLN 28 Ca 0.17 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 57.12 1pcp h GLN 28 Cb 0.51 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.90 1pcp h GLN 28 CO -0.81 0.00 -1.33 0.00 -0.95 0.00 0.00 178.83 175.73 1pcp n PHE 30 N -3.22 0.01 0.54 0.00 3.72 0.58 -2.26 117.46 116.82 1pcp n PHE 30 Ca -0.08 -0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.39 1pcp n PHE 30 Cb 0.99 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.44 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 0.08 0.00 -0.42 4.37 -1.04 0.34 -3.12 114.28 114.49 1pcp n THR 31 Ca 0.19 -0.19 0.09 0.00 -2.04 0.00 0.00 64.05 62.10 1pcp n THR 31 Cb 0.33 0.82 0.33 0.00 -1.82 0.00 0.00 70.33 70.00 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 -1.49 4.36 0.00 8.00 3.41 -1.18 -3.64 113.62 123.08 1pcp n SER 32 Ca 0.02 -2.34 0.00 0.00 -0.26 0.00 0.00 58.87 56.29 1pcp n SER 32 Cb 0.26 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 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 1.20 0.87 4.00 5.00 0.00 -1.26 -5.00 105.19 110.00 1pcp n GLY 33 Ca 0.24 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.72 -0.63 -0.52 0.00 5.36 -1.23 -1.73 117.98 116.50 1pcp s PHE 36 Ca 0.30 -0.87 -0.07 0.00 -0.96 0.00 0.00 56.93 55.33 1pcp s PHE 36 Cb 0.05 -0.18 0.14 0.00 -0.34 0.00 0.00 43.02 42.68 1pcp s PHE 36 CO 0.16 -1.06 0.38 0.34 -1.46 0.00 0.00 175.22 173.57 1pcp s ASP 37 N 1.08 5.60 -0.11 6.13 2.15 0.35 -4.87 116.67 127.01 1pcp s ASP 37 Ca 0.23 -2.22 0.08 0.00 0.43 0.00 0.00 52.55 51.08 1pcp s ASP 37 Cb -0.06 -1.96 0.43 0.00 -0.30 0.00 0.00 42.92 41.03 1pcp s ASP 37 CO -0.07 -0.58 1.19 -1.20 -0.17 0.00 0.00 175.17 174.34 1pcp n SER 38 N 4.44 3.30 0.16 -0.34 7.64 -1.26 -4.15 113.62 123.41 1pcp n SER 38 Ca -0.01 -2.41 0.11 0.00 1.01 0.00 0.00 58.87 57.56 1pcp n SER 38 Cb 0.41 -0.54 0.58 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.39 0.14 -4.64 1.43 6.02 -1.26 -4.35 117.38 115.11 1pcp n GLN 39 Ca 0.15 0.64 -0.27 0.00 -0.01 0.00 0.00 57.00 57.50 1pcp n GLN 39 Cb 0.69 -1.95 -0.17 0.00 1.02 0.00 0.00 30.24 29.83 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 -3.54 1.44 0.49 5.09 1.01 -1.26 -5.13 120.40 118.51 1pcp s VAL 40 Ca -0.02 -0.64 -0.20 0.00 0.00 0.00 0.00 61.98 61.12 1pcp s VAL 40 Cb 0.06 -1.30 -0.08 0.00 0.00 0.00 0.00 36.38 35.06 1pcp s VAL 40 CO 0.19 0.43 1.04 -2.16 0.00 0.00 0.00 175.10 174.60 1pcp s PRO 41 N 0.75 3.78 0.00 2.72 0.04 -1.26 -4.15 135.00 136.88 1pcp s PRO 41 Ca -0.12 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1pcp s PRO 41 Cb -0.16 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1pcp s PRO 41 CO 0.02 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.03 1pcp n GLY 42 N -0.31 1.88 3.07 0.56 0.00 -1.26 -4.92 105.19 104.21 1pcp n GLY 42 Ca 0.09 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.78 118.33 111.74 1pcp n VAL 43 Ca 0.00 -0.26 -0.43 0.00 -2.04 0.00 0.00 64.34 61.61 1pcp n VAL 43 Cb 0.00 -0.12 -0.02 0.00 -1.47 0.00 0.00 33.84 32.23 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 -2.30 4.07 -0.03 7.34 0.04 -1.26 -4.90 135.00 137.96 1pcp s PRO 44 Ca 0.42 1.50 -0.21 0.00 0.04 0.00 0.00 61.00 62.74 1pcp s PRO 44 Cb -0.07 -3.83 -0.28 0.00 0.04 0.00 0.00 34.50 30.36 1pcp s PRO 44 CO 0.73 -0.92 0.97 -1.49 0.04 0.00 0.00 177.00 176.34 1pcp h TRP 45 N 8.83 0.54 -3.59 0.56 6.55 -1.86 -3.42 115.95 123.55 1pcp h TRP 45 Ca -0.27 -0.35 -0.62 0.00 0.95 0.00 0.00 58.89 58.60 1pcp h TRP 45 Cb 1.10 -0.04 -0.12 0.00 -0.86 0.00 0.00 29.16 29.24 1pcp h TRP 45 CO 0.84 1.23 0.34 0.00 -1.05 0.00 0.00 178.44 179.79 1pcp n PHE 47 N 6.55 0.00 -4.94 0.00 1.16 -0.70 0.13 117.46 119.66 1pcp n PHE 47 Ca 0.02 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.28 1pcp n PHE 47 Cb 0.48 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.21 1pcp n PHE 47 CO 0.00 0.00 0.00 -1.59 -1.87 0.00 0.00 176.76 173.30 1pcp s LYS 48 N 1.21 2.64 0.35 3.97 0.00 -1.26 -0.05 119.74 126.59 1pcp s LYS 48 Ca 0.00 -0.73 -0.06 0.00 0.00 0.00 0.00 55.97 55.18 1pcp s LYS 48 Cb 0.00 -2.38 0.08 0.00 0.00 0.00 0.00 37.83 35.54 1pcp s LYS 48 CO 0.00 0.52 0.38 -0.35 0.00 0.00 0.00 175.35 175.90 1pcp n PRO 49 N 2.60 -1.03 -3.18 1.78 -0.04 -1.26 -4.92 135.00 128.95 1pcp n PRO 49 Ca -0.17 -0.60 -0.23 0.00 -0.04 0.00 0.00 63.50 62.45 1pcp n PRO 49 Cb 0.52 -0.47 -0.05 0.00 -0.04 0.00 0.00 33.50 33.46 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 1.95 -4.77 1.53 -0.00 -1.25 -5.09 117.00 109.37 1pcp n LEU 50 Ca 0.05 -5.14 -0.38 0.00 -0.00 0.00 0.00 56.01 50.54 1pcp n LEU 50 Cb 0.18 0.18 -0.04 0.00 -0.00 0.00 0.00 43.42 43.74 1pcp n LEU 50 CO 0.13 2.20 0.75 -2.16 -0.00 0.00 0.00 177.39 178.32 1pcp s PRO 51 N -2.32 4.36 0.00 1.47 0.04 -1.26 -4.91 135.00 132.38 1pcp s PRO 51 Ca 0.41 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1pcp s PRO 51 Cb 0.25 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.99 1pcp s PRO 51 CO -0.09 0.01 0.00 0.00 0.04 0.00 0.00 177.00 176.96 1pcp n ALA 52 N 0.44 0.00 -3.63 8.56 0.00 -1.26 -5.16 120.51 119.47 1pcp n ALA 52 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.33 1pcp n ALA 52 Cb 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 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 0.00 0.80 -0.45 0.00 -0.21 -1.26 -4.73 119.66 113.81 1pcp s GLN 53 Ca 0.00 0.91 -0.06 0.00 0.02 0.00 0.00 55.36 56.24 1pcp s GLN 53 Cb 0.00 0.39 -0.11 0.00 1.00 0.00 0.00 33.01 34.29 1pcp s GLN 53 CO 0.00 -0.10 3.18 0.39 -2.12 0.00 0.00 175.29 176.64 1pcp n GLU 54 N 2.55 2.55 -0.23 2.91 1.02 -1.26 -4.79 120.64 123.39 1pcp n GLU 54 Ca -0.14 -1.77 0.00 0.00 -0.02 0.00 0.00 57.16 55.23 1pcp n GLU 54 Cb 0.55 -2.20 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 1pcp n GLU 54 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1pcp n SER 55 N 2.07 0.00 -2.84 1.62 7.64 -1.26 -5.10 113.62 115.75 1pcp n SER 55 Ca 0.51 -0.18 -0.11 0.00 1.01 0.00 0.00 58.87 60.10 1pcp n SER 55 Cb 0.67 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.90 1pcp n SER 55 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1pcp n GLU 56 N 0.00 0.86 0.00 1.43 1.02 -1.26 -4.91 120.64 117.77 1pcp n GLU 56 Ca 0.00 -2.13 0.00 0.00 -0.02 0.00 0.00 57.16 55.01 1pcp n GLU 56 Cb 0.00 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 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 1.13 0.00 -0.04 3.49 0.28 -1.26 -4.91 120.64 119.33 1pcp n GLU 57 Ca 0.11 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.19 1pcp n GLU 57 Cb 0.64 0.00 0.39 0.00 1.43 0.00 0.00 31.44 33.89 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 -1.89 4.84 0.00 0.00 1.01 -1.26 -4.99 120.40 118.11 1pcp s VAL 59 Ca 0.25 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.67 1pcp s VAL 59 Cb 0.12 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1pcp s VAL 59 CO 0.19 0.37 0.00 1.15 0.00 0.00 0.00 175.10 176.82 1pcp n MET 60 N 2.89 -2.78 -2.73 2.72 0.00 -1.26 -4.87 117.12 111.09 1pcp n MET 60 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.32 1pcp n MET 60 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.67 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 4.11 0.16 3.17 -0.21 -1.26 -4.90 119.66 118.73 1pcp s GLN 61 Ca 0.00 1.21 -0.28 0.00 0.02 0.00 0.00 55.36 56.31 1pcp s GLN 61 Cb 0.00 -2.19 -0.01 0.00 1.00 0.00 0.00 33.01 31.81 1pcp s GLN 61 CO 0.00 -0.14 1.55 -0.39 -2.12 0.00 0.00 175.29 174.19 1pcp h VAL 62 N 1.84 0.03 -1.04 1.09 -1.51 -1.98 1.75 116.25 116.43 1pcp h VAL 62 Ca -0.49 0.00 0.29 0.00 -1.23 0.00 0.00 66.70 65.27 1pcp h VAL 62 Cb 1.19 0.03 -0.05 0.00 -2.13 0.00 0.00 31.29 30.33 1pcp h VAL 62 CO 0.61 0.00 0.73 0.77 -1.23 0.00 0.00 177.57 178.45 1pcp h SER 63 N -0.17 0.09 0.36 4.19 4.64 -2.02 2.52 113.55 123.15 1pcp h SER 63 Ca 0.17 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1pcp h SER 63 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1pcp h SER 63 CO -0.78 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.20 1pcp n ALA 64 N -2.69 1.54 -1.19 5.18 0.00 0.59 -4.73 120.51 119.21 1pcp n ALA 64 Ca 0.22 -0.04 -0.29 0.00 0.00 0.00 0.00 53.44 53.33 1pcp n ALA 64 Cb 1.05 -1.18 0.19 0.00 0.00 0.00 0.00 19.45 19.52 1pcp n ALA 64 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1pcp s ARG 65 N -2.94 -0.03 -0.30 0.00 1.70 0.85 -4.91 118.95 113.32 1pcp s ARG 65 Ca 0.06 0.29 -0.09 0.00 -0.47 0.00 0.00 55.73 55.52 1pcp s ARG 65 Cb 0.07 -1.70 0.18 0.00 -0.57 0.00 0.00 34.95 32.93 1pcp s ARG 65 CO 0.20 -2.99 0.97 -1.59 -1.08 0.00 0.00 175.30 170.81 1pcp s LYS 66 N -5.14 0.22 -0.40 3.89 0.00 -1.26 -4.98 119.74 112.07 1pcp s LYS 66 Ca 0.67 0.28 -0.41 0.00 0.00 0.00 0.00 55.97 56.51 1pcp s LYS 66 Cb -0.15 0.14 -0.18 0.00 0.00 0.00 0.00 37.83 37.64 1pcp s LYS 66 CO 0.57 -0.36 1.37 0.27 0.00 0.00 0.00 175.35 177.19 1pcp n ASN 67 N 5.27 0.97 0.00 0.03 6.94 -1.26 -3.24 115.26 123.97 1pcp n ASN 67 Ca 0.04 1.05 0.00 0.00 -0.02 0.00 0.00 54.58 55.64 1pcp n ASN 67 Cb 0.56 -0.78 0.00 0.00 -2.36 0.00 0.00 39.78 37.20 1pcp n ASN 67 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pcp n GLY 69 N 0.23 3.63 3.42 0.00 0.00 -1.03 -4.54 105.19 106.90 1pcp n GLY 69 Ca 0.00 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.60 2.06 -1.61 1.61 1.13 -1.26 -4.93 117.35 112.75 1pcp s TYR 70 Ca 0.00 -0.43 0.23 0.00 -1.41 0.00 0.00 57.07 55.46 1pcp s TYR 70 Cb 0.00 -0.92 1.24 0.00 -1.10 0.00 0.00 41.96 41.18 1pcp s TYR 70 CO 0.00 0.58 1.76 -0.35 -2.51 0.00 0.00 175.55 175.03 1pcp n PRO 71 N -0.53 0.46 0.00 -3.49 -0.04 -1.26 -2.13 135.00 128.01 1pcp n PRO 71 Ca -0.06 0.05 0.11 0.00 -0.04 0.00 0.00 63.50 63.56 1pcp n PRO 71 Cb 0.60 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.60 0.12 3.89 0.55 0.00 -1.26 -4.95 105.19 104.14 1pcp n GLY 72 Ca 0.13 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 1pcp n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pcp s ILE 73 N -2.41 3.25 0.64 -0.61 2.07 -0.91 -5.09 121.20 118.15 1pcp s ILE 73 Ca 0.20 0.31 0.02 0.00 -1.41 0.00 0.00 60.65 59.78 1pcp s ILE 73 Cb 0.18 -3.39 0.09 0.00 0.13 0.00 0.00 42.46 39.48 1pcp s ILE 73 CO 0.53 -0.49 0.88 -0.44 -1.91 0.00 0.00 174.94 173.51 1pcp s SER 74 N -4.39 4.78 0.00 4.50 0.01 -1.26 -4.95 113.70 112.40 1pcp s SER 74 Ca 0.58 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.46 1pcp s SER 74 Cb -0.11 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.93 1pcp s SER 74 CO 0.50 -1.53 0.00 -0.81 0.41 0.00 0.00 173.24 171.81 1pcp n PRO 75 N -2.55 0.00 -0.56 12.44 -0.04 -1.26 -0.91 135.00 142.12 1pcp n PRO 75 Ca 0.13 0.00 0.47 0.00 -0.04 0.00 0.00 63.50 64.06 1pcp n PRO 75 Cb 0.60 -0.11 0.77 0.00 -0.04 0.00 0.00 33.50 34.72 1pcp n PRO 75 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1pcp h GLU 76 N 0.00 0.00 -0.09 0.54 4.39 -1.99 2.01 114.58 119.44 1pcp h GLU 76 Ca 0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1pcp h GLU 76 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1pcp h GLU 76 CO 0.00 0.00 -0.32 -0.44 -1.16 0.00 0.00 179.01 177.09 1pcp h ASP 77 N 0.00 0.44 0.00 1.42 5.19 -1.89 -1.95 116.42 119.63 1pcp h ASP 77 Ca 0.80 -0.62 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 1pcp h ASP 77 Cb 3.35 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 42.73 1pcp h ASP 77 CO -0.01 0.99 0.00 0.00 -3.12 0.00 0.00 179.24 177.10 1pcp h ALA 79 N -1.80 2.74 -0.75 0.00 0.00 -0.97 7.79 119.26 126.26 1pcp h ALA 79 Ca 0.00 0.09 -0.45 0.00 0.00 0.00 0.00 54.91 54.54 1pcp h ALA 79 Cb 0.00 0.17 -0.23 0.00 0.00 0.00 0.00 17.79 17.73 1pcp h ALA 79 CO 0.00 -1.31 0.58 0.00 0.00 0.00 0.00 179.25 178.52 1pcp n ALA 80 N -2.55 5.32 0.00 0.00 0.00 -0.50 -4.18 120.51 118.60 1pcp n ALA 80 Ca 0.35 -2.41 0.00 0.00 0.00 0.00 0.00 53.44 51.38 1pcp n ALA 80 Cb 1.37 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.53 0.00 0.00 0.00 1.74 1.06 -4.84 116.66 114.08 1pcp n ARG 81 Ca 0.46 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 1pcp n ARG 81 Cb 1.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.44 1pcp n ARG 81 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1pcp n ASN 82 N -0.92 0.00 -0.17 0.55 5.03 2.27 -5.01 115.26 117.00 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 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 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 -1.50 2.28 -0.33 0.00 2.19 -1.20 -0.53 117.98 118.89 1pcp s PHE 85 Ca 0.66 -2.39 0.02 0.00 0.33 0.00 0.00 56.93 55.55 1pcp s PHE 85 Cb -0.53 -2.09 0.10 0.00 -1.31 0.00 0.00 43.02 39.19 1pcp s PHE 85 CO 0.56 -0.83 0.07 0.45 1.83 0.00 0.00 175.22 177.29 1pcp s SER 86 N 0.72 4.52 0.00 6.13 0.15 0.20 -4.92 113.70 120.51 1pcp s SER 86 Ca 0.14 -1.99 0.27 0.00 0.70 0.00 0.00 55.95 55.08 1pcp s SER 86 Cb -0.22 -1.37 0.84 0.00 -1.71 0.00 0.00 66.02 63.56 1pcp s SER 86 CO -0.08 -0.39 1.64 -0.90 1.20 0.00 0.00 173.24 174.71 1pcp n ASP 87 N 4.45 0.33 -0.18 5.45 5.75 -1.26 -4.18 116.55 126.91 1pcp n ASP 87 Ca 0.02 -0.03 0.17 0.00 -0.01 0.00 0.00 54.79 54.94 1pcp n ASP 87 Cb 0.42 -0.05 0.31 0.00 -1.03 0.00 0.00 41.12 40.77 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 -1.42 -0.24 -3.72 2.12 5.66 -1.26 -2.96 114.28 112.45 1pcp n THR 88 Ca 0.07 1.16 -0.38 0.00 -3.05 0.00 0.00 64.05 61.84 1pcp n THR 88 Cb 0.33 -1.86 -0.12 0.00 -1.55 0.00 0.00 70.33 67.14 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 3.91 0.36 1.09 1.09 -1.26 -5.08 121.20 116.38 1pcp s ILE 89 Ca -0.05 -1.10 -0.26 0.00 -1.10 0.00 0.00 60.65 58.13 1pcp s ILE 89 Cb 0.19 -3.22 -0.09 0.00 -1.06 0.00 0.00 42.46 38.28 1pcp s ILE 89 CO 0.44 -0.20 1.06 -2.16 -0.10 0.00 0.00 174.94 173.99 1pcp s PRO 90 N 1.42 4.33 0.00 2.79 0.04 -1.16 -3.72 135.00 138.70 1pcp s PRO 90 Ca -0.01 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1pcp s PRO 90 Cb -0.20 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1pcp s PRO 90 CO 0.03 -0.02 0.00 0.39 0.04 0.00 0.00 177.00 177.44 1pcp n GLU 91 N 0.37 0.00 -4.03 4.56 -0.58 -1.26 -5.08 120.64 114.63 1pcp n GLU 91 Ca 0.03 0.01 -0.10 0.00 -0.42 0.00 0.00 57.16 56.68 1pcp n GLU 91 Cb 0.48 -2.07 -0.08 0.00 -0.57 0.00 0.00 31.44 29.20 1pcp n GLU 91 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1pcp s VAL 92 N -2.00 0.06 -1.22 2.62 -7.23 -1.24 -5.07 120.40 106.32 1pcp s VAL 92 Ca 0.00 -1.56 -0.21 0.00 -1.81 0.00 0.00 61.98 58.41 1pcp s VAL 92 Cb 0.00 -1.98 -0.01 0.00 0.56 0.00 0.00 36.38 34.95 1pcp s VAL 92 CO 0.00 -0.28 1.82 -2.16 -0.31 0.00 0.00 175.10 174.17 1pcp s PRO 93 N -4.01 3.24 0.39 4.82 0.04 -1.26 -4.76 135.00 133.47 1pcp s PRO 93 Ca 0.21 -1.52 0.21 0.00 0.04 0.00 0.00 61.00 59.94 1pcp s PRO 93 Cb 0.04 -5.38 1.21 0.00 0.04 0.00 0.00 34.50 30.41 1pcp s PRO 93 CO 0.02 -3.09 1.68 -1.49 0.04 0.00 0.00 177.00 174.17 1pcp h TRP 94 N 8.78 0.70 -2.42 0.56 6.55 -1.88 -2.65 115.95 125.59 1pcp h TRP 94 Ca 0.32 0.03 -0.73 0.00 0.95 0.00 0.00 58.89 59.46 1pcp h TRP 94 Cb 0.91 -0.19 -0.19 0.00 -0.86 0.00 0.00 29.16 28.84 1pcp h TRP 94 CO 1.32 -0.11 1.08 0.00 -1.05 0.00 0.00 178.44 179.67 1pcp s PHE 96 N 1.61 2.63 0.57 0.00 -0.71 0.30 0.23 117.98 122.61 1pcp s PHE 96 Ca 0.38 -0.23 -0.19 0.00 -1.04 0.00 0.00 56.93 55.84 1pcp s PHE 96 Cb -0.04 -1.18 -0.05 0.00 -1.21 0.00 0.00 43.02 40.54 1pcp s PHE 96 CO -0.04 0.61 1.15 -0.06 -1.34 0.00 0.00 175.22 175.54 1pcp s PHE 97 N -2.23 2.59 -1.22 3.49 0.40 -1.20 0.81 117.98 120.62 1pcp s PHE 97 Ca 0.30 1.54 0.22 0.00 -0.60 0.00 0.00 56.93 58.39 1pcp s PHE 97 Cb -0.07 -3.32 1.04 0.00 0.51 0.00 0.00 43.02 41.18 1pcp s PHE 97 CO 0.18 -1.75 1.72 -0.35 0.70 0.00 0.00 175.22 175.73 1pcp n PRO 98 N -1.50 0.17 0.00 0.24 -0.04 -1.26 -4.71 135.00 127.89 1pcp n PRO 98 Ca 0.12 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1pcp n PRO 98 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1pcp n PRO 98 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1pcp n MET 99 N -1.39 0.00 -4.11 0.54 1.56 -1.26 -4.67 117.12 107.79 1pcp n MET 99 Ca 0.08 0.00 -0.10 0.00 -0.27 0.00 0.00 57.70 57.41 1pcp n MET 99 Cb 0.22 0.00 -0.10 0.00 2.15 0.00 0.00 33.22 35.48 1pcp n MET 99 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1pcp s SER 100 N -4.00 0.85 0.00 6.12 0.15 -1.26 -5.14 113.70 110.42 1pcp s SER 100 Ca 0.00 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 55.80 1pcp s SER 100 Cb 0.00 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1pcp s SER 100 CO 0.00 -0.42 0.00 1.33 1.20 0.00 0.00 173.24 175.35 1pcp n VAL 101 N 0.50 0.00 -2.72 4.45 0.24 -1.26 -4.89 118.33 114.66 1pcp n VAL 101 Ca -0.16 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.03 1pcp n VAL 101 Cb 0.59 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.94 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 -2.03 -0.45 7.34 2.13 -1.26 -4.51 120.64 121.85 1pcp n GLU 102 Ca 0.00 0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1pcp n GLU 102 Cb 0.00 -3.72 0.00 0.00 0.27 0.00 0.00 31.44 27.99 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 -1.42 0.00 0.00 4.31 2.03 -1.26 -4.98 116.55 115.23 1pcp n ASP 103 Ca 0.03 -1.56 0.00 0.00 0.52 0.00 0.00 54.79 53.78 1pcp n ASP 103 Cb 0.39 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 1pcp n ASP 103 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pcp n HIS 105 N -0.53 0.00 -1.52 0.00 1.44 -1.26 -4.50 115.22 108.85 1pcp n HIS 105 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1pcp n HIS 105 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1pcp n HIS 105 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19