#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 0.05 -1.55 3.49 5.02 -1.20 -3.97 118.16 120.01 1pcp n LYS 2 Ca 0.00 0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 56.01 1pcp n LYS 2 Cb 0.00 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.61 1pcp n LYS 2 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1pcp s PRO 3 N -0.04 2.00 0.34 1.97 0.04 -1.26 -4.92 135.00 133.13 1pcp s PRO 3 Ca 0.89 0.61 -0.26 0.00 0.04 0.00 0.00 61.00 62.28 1pcp s PRO 3 Cb -1.24 -1.91 -0.13 0.00 0.04 0.00 0.00 34.50 31.26 1pcp s PRO 3 CO 0.57 -1.67 0.97 0.00 0.04 0.00 0.00 177.00 176.90 1pcp n ALA 4 N -3.46 -0.22 1.89 8.56 0.00 -1.26 -4.83 120.51 121.19 1pcp n ALA 4 Ca 0.07 0.32 0.14 0.00 0.00 0.00 0.00 53.44 53.97 1pcp n ALA 4 Cb 0.56 -2.01 0.78 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.09 2.65 1.74 0.00 0.00 -1.26 -2.90 120.51 120.65 1pcp n ALA 5 Ca 0.10 -0.24 0.15 0.00 0.00 0.00 0.00 53.44 53.46 1pcp n ALA 5 Cb 0.35 -1.40 0.86 0.00 0.00 0.00 0.00 19.45 19.25 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 -1.11 1.97 -0.08 0.00 1.74 -1.14 -4.34 116.66 113.70 1pcp n ARG 7 Ca 0.20 -0.32 -0.10 0.00 -0.77 0.00 0.00 57.85 56.86 1pcp n ARG 7 Cb 0.17 -0.82 -0.09 0.00 -1.02 0.00 0.00 32.46 30.71 1pcp n ARG 7 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pcp n SER 9 N -2.87 -0.69 -1.89 0.00 3.41 -0.19 -0.07 113.62 111.32 1pcp n SER 9 Ca -0.28 -0.43 0.00 0.00 -0.26 0.00 0.00 58.87 57.90 1pcp n SER 9 Cb 0.85 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 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 1.84 -2.19 0.00 4.33 0.63 -1.26 -4.53 116.66 115.48 1pcp n ARG 10 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1pcp n ARG 10 Cb 0.17 -4.29 0.00 0.00 0.45 0.00 0.00 32.46 28.79 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 -1.89 0.00 -4.15 -0.14 3.00 0.90 -4.13 117.38 110.97 1pcp n GLN 11 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.83 1pcp n GLN 11 Cb 0.30 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.42 1pcp n GLN 11 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1pcp s ASP 12 N -1.85 1.17 -0.86 1.08 -1.08 -1.26 -4.83 116.67 109.04 1pcp s ASP 12 Ca 0.00 -0.50 -0.25 0.00 -0.52 0.00 0.00 52.55 51.28 1pcp s ASP 12 Cb 0.00 -0.02 0.00 0.00 -1.46 0.00 0.00 42.92 41.44 1pcp s ASP 12 CO 0.00 -0.10 1.65 -2.16 0.52 0.00 0.00 175.17 175.07 1pcp s PRO 13 N -1.40 3.02 0.00 4.34 0.04 -1.26 -3.61 135.00 136.14 1pcp s PRO 13 Ca -0.05 -0.39 0.00 0.00 0.04 0.00 0.00 61.00 60.60 1pcp s PRO 13 Cb -0.09 -4.88 0.00 0.00 0.04 0.00 0.00 34.50 29.57 1pcp s PRO 13 CO 0.01 -2.66 0.00 1.63 0.04 0.00 0.00 177.00 176.02 1pcp n LYS 14 N 9.02 0.00 0.00 4.56 5.02 -1.26 -5.02 118.16 130.48 1pcp n LYS 14 Ca 0.28 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1pcp n LYS 14 Cb 0.50 -0.36 0.00 0.00 -0.02 0.00 0.00 35.03 35.15 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 -0.25 0.00 -4.53 4.39 3.02 -1.24 -5.10 115.26 111.55 1pcp n ASN 15 Ca 0.00 0.00 -0.64 0.00 -0.03 0.00 0.00 54.58 53.91 1pcp n ASN 15 Cb 0.12 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.18 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 -1.35 0.01 -0.95 3.52 1.74 -1.26 -4.78 116.66 113.58 1pcp n ARG 16 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 1pcp n ARG 16 Cb 0.00 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.15 1pcp n ARG 16 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1pcp n VAL 17 N 5.10 2.80 -1.42 1.55 0.31 -1.26 -4.51 118.33 120.90 1pcp n VAL 17 Ca 0.42 -2.26 0.04 0.00 -0.01 0.00 0.00 64.34 62.52 1pcp n VAL 17 Cb -0.05 -0.37 -0.02 0.00 -0.91 0.00 0.00 33.84 32.49 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 -0.96 -6.61 -0.12 4.52 2.85 -1.26 -4.90 115.26 108.77 1pcp n ASN 18 Ca 0.42 1.41 0.00 0.00 -0.11 0.00 0.00 54.58 56.30 1pcp n ASN 18 Cb 1.28 -4.39 0.00 0.00 1.24 0.00 0.00 39.78 37.92 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 0.00 4.85 3.44 0.00 0.00 -1.24 -4.85 105.19 107.40 1pcp n GLY 20 Ca 0.00 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 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 1.11 2.10 -0.44 1.61 -0.71 -1.26 -5.09 117.98 115.29 1pcp s PHE 21 Ca 0.00 -0.46 -0.29 0.00 -1.04 0.00 0.00 56.93 55.14 1pcp s PHE 21 Cb 0.00 -1.00 0.01 0.00 -1.21 0.00 0.00 43.02 40.82 1pcp s PHE 21 CO 0.00 0.55 1.43 -1.25 -1.34 0.00 0.00 175.22 174.61 1pcp s PRO 22 N -3.59 3.49 0.00 1.99 0.04 -1.26 -2.43 135.00 133.25 1pcp s PRO 22 Ca 0.28 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1pcp s PRO 22 Cb -0.02 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1pcp s PRO 22 CO 0.12 -1.67 0.00 0.41 0.04 0.00 0.00 177.00 175.90 1pcp n GLY 23 N 5.14 1.69 3.07 0.56 0.00 -1.26 -5.11 105.19 109.28 1pcp n GLY 23 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 0.01 0.00 -0.61 3.06 -1.02 -4.99 119.36 115.81 1pcp n ILE 24 Ca 0.00 -0.46 0.00 0.00 -2.50 0.00 0.00 62.75 59.79 1pcp n ILE 24 Cb 0.00 -0.09 0.00 0.00 0.54 0.00 0.00 39.64 40.09 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 -2.63 0.00 0.02 9.51 -2.24 -1.26 -5.06 114.28 112.62 1pcp n THR 25 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1pcp n THR 25 Cb 0.55 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 0.00 -0.23 -0.30 3.42 3.41 -1.26 -4.83 113.62 113.83 1pcp n SER 26 Ca 0.00 0.07 -0.11 0.00 -0.26 0.00 0.00 58.87 58.58 1pcp n SER 26 Cb 0.00 0.44 -0.09 0.00 -0.26 0.00 0.00 64.21 64.30 1pcp n SER 26 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1pcp h ASP 27 N 0.00 -1.85 -0.73 4.04 5.19 -1.99 3.15 116.42 124.23 1pcp h ASP 27 Ca 0.00 0.27 0.21 0.00 -0.62 0.00 0.00 57.03 56.89 1pcp h ASP 27 Cb 0.00 0.80 -0.03 0.00 0.18 0.00 0.00 39.33 40.28 1pcp h ASP 27 CO 0.00 -0.25 0.60 1.56 -3.12 0.00 0.00 179.24 178.03 1pcp h GLN 28 N -0.10 0.00 0.15 3.56 1.08 -2.00 0.71 115.11 118.51 1pcp h GLN 28 Ca 0.12 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 57.00 1pcp h GLN 28 Cb 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1pcp h GLN 28 CO -0.75 0.00 -1.57 0.00 -0.95 0.00 0.00 178.83 175.56 1pcp n PHE 30 N -3.51 1.57 0.83 0.00 3.72 0.90 -2.48 117.46 118.49 1pcp n PHE 30 Ca -0.18 -1.24 0.00 0.00 -0.05 0.00 0.00 57.45 55.98 1pcp n PHE 30 Cb 1.06 -0.63 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 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 -0.30 0.12 -0.97 4.37 -1.04 0.09 -3.20 114.28 113.35 1pcp n THR 31 Ca 0.30 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.31 1pcp n THR 31 Cb 1.06 -0.49 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 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 0.15 -0.31 -0.12 8.00 7.64 -1.25 -4.70 113.62 123.02 1pcp n SER 32 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 1pcp n SER 32 Cb 0.24 -0.23 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 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 -2.07 -0.62 3.48 0.23 0.00 -1.26 -4.78 105.19 100.17 1pcp n GLY 33 Ca 0.00 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.43 -0.21 -0.15 0.00 5.36 -1.26 -2.05 117.98 117.24 1pcp s PHE 36 Ca 0.36 -0.19 -0.15 0.00 -0.96 0.00 0.00 56.93 55.99 1pcp s PHE 36 Cb -0.03 -0.53 -0.05 0.00 -0.34 0.00 0.00 43.02 42.08 1pcp s PHE 36 CO 0.22 -0.78 -0.28 -3.47 -1.46 0.00 0.00 175.22 169.45 1pcp n ASP 37 N 5.30 1.68 -3.04 6.13 -0.08 -1.07 -4.92 116.55 120.54 1pcp n ASP 37 Ca -0.04 0.34 -0.03 0.00 -1.51 0.00 0.00 54.79 53.55 1pcp n ASP 37 Cb 0.47 -0.73 0.00 0.00 2.34 0.00 0.00 41.12 43.20 1pcp n ASP 37 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1pcp n SER 38 N -4.24 -7.73 0.00 1.67 3.41 -1.25 -4.96 113.62 100.52 1pcp n SER 38 Ca -0.11 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1pcp n SER 38 Cb 0.42 -5.19 0.00 0.00 -0.26 0.00 0.00 64.21 59.18 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 -1.48 0.93 -3.94 4.33 6.02 -1.26 -5.01 117.38 116.97 1pcp n GLN 39 Ca 0.01 -0.13 -0.29 0.00 -0.01 0.00 0.00 57.00 56.59 1pcp n GLN 39 Cb 0.50 -0.51 -0.16 0.00 1.02 0.00 0.00 30.24 31.08 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 -0.17 1.29 -1.10 5.09 1.01 -1.26 -5.06 120.40 120.20 1pcp s VAL 40 Ca 0.00 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 61.13 1pcp s VAL 40 Cb 0.00 -1.35 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 1pcp s VAL 40 CO 0.00 0.26 1.76 -2.16 0.00 0.00 0.00 175.10 174.96 1pcp s PRO 41 N 1.57 3.16 0.00 2.72 0.04 -1.26 -3.47 135.00 137.76 1pcp s PRO 41 Ca 0.02 -1.13 0.00 0.00 0.04 0.00 0.00 61.00 59.93 1pcp s PRO 41 Cb -0.14 -5.30 0.00 0.00 0.04 0.00 0.00 34.50 29.10 1pcp s PRO 41 CO -0.09 -2.95 0.00 0.41 0.04 0.00 0.00 177.00 174.41 1pcp n GLY 42 N 6.26 0.55 3.52 0.56 0.00 -1.26 -5.14 105.19 109.69 1pcp n GLY 42 Ca 0.41 0.10 -0.28 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 2.00 -0.26 1.61 -7.23 -1.23 -4.91 120.40 110.39 1pcp s VAL 43 Ca 0.00 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.88 1pcp s VAL 43 Cb 0.00 -2.16 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 1pcp s VAL 43 CO 0.00 -0.00 1.34 -2.16 -0.31 0.00 0.00 175.10 173.96 1pcp s PRO 44 N -4.58 3.96 0.04 4.82 0.04 -1.26 -4.90 135.00 133.12 1pcp s PRO 44 Ca 0.68 1.38 -0.22 0.00 0.04 0.00 0.00 61.00 62.88 1pcp s PRO 44 Cb -0.24 -3.88 -0.14 0.00 0.04 0.00 0.00 34.50 30.28 1pcp s PRO 44 CO 0.63 -1.07 1.40 -1.49 0.04 0.00 0.00 177.00 176.52 1pcp h TRP 45 N 9.28 0.29 -3.28 0.56 6.55 -1.90 -3.39 115.95 124.06 1pcp h TRP 45 Ca -0.27 -0.07 -0.62 0.00 0.95 0.00 0.00 58.89 58.88 1pcp h TRP 45 Cb 1.11 -0.07 -0.13 0.00 -0.86 0.00 0.00 29.16 29.21 1pcp h TRP 45 CO 0.87 0.58 0.48 0.00 -1.05 0.00 0.00 178.44 179.32 1pcp n PHE 47 N 7.19 0.00 -2.79 0.00 1.16 -0.87 0.97 117.46 123.12 1pcp n PHE 47 Ca 0.01 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.25 1pcp n PHE 47 Cb 0.47 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.28 1pcp n PHE 47 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 1pcp s LYS 48 N -1.93 4.24 -0.03 3.97 3.01 -1.26 -0.78 119.74 126.96 1pcp s LYS 48 Ca 0.00 1.18 -0.05 0.00 -1.01 0.00 0.00 55.97 56.09 1pcp s LYS 48 Cb 0.00 -2.26 -0.20 0.00 -1.01 0.00 0.00 37.83 34.36 1pcp s LYS 48 CO 0.00 -0.02 2.84 -0.35 0.51 0.00 0.00 175.35 178.33 1pcp n PRO 49 N -0.49 1.53 -0.37 -1.68 -0.04 -1.26 -4.59 135.00 128.09 1pcp n PRO 49 Ca 0.06 -0.78 0.00 0.00 -0.04 0.00 0.00 63.50 62.75 1pcp n PRO 49 Cb 0.53 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 1pcp n PRO 49 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1pcp n LEU 50 N 2.66 0.00 -4.77 1.53 0.00 -0.95 -4.70 117.00 110.78 1pcp n LEU 50 Ca 0.33 0.00 -0.30 0.00 0.00 0.00 0.00 56.01 56.04 1pcp n LEU 50 Cb 0.68 0.00 0.21 0.00 0.00 0.00 0.00 43.42 44.30 1pcp n LEU 50 CO 0.17 0.00 0.75 -2.16 0.00 0.00 0.00 177.39 176.15 1pcp s PRO 51 N -0.41 -0.18 0.00 1.96 0.04 -1.26 -4.51 135.00 130.63 1pcp s PRO 51 Ca 0.00 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 60.84 1pcp s PRO 51 Cb 0.00 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1pcp s PRO 51 CO 0.00 -3.00 0.00 0.00 0.04 0.00 0.00 177.00 174.04 1pcp n ALA 52 N -4.22 0.00 -0.87 8.56 0.00 -1.26 -5.03 120.51 117.69 1pcp n ALA 52 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.26 1pcp n ALA 52 Cb 0.59 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.08 1pcp n ALA 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1pcp n GLN 53 N 0.00 0.00 0.14 0.00 1.13 -1.26 -4.59 117.38 112.80 1pcp n GLN 53 Ca 0.00 0.00 0.06 0.00 -1.94 0.00 0.00 57.00 55.12 1pcp n GLN 53 Cb 0.00 -0.87 0.33 0.00 0.11 0.00 0.00 30.24 29.81 1pcp n GLN 53 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1pcp n GLU 54 N 2.18 0.08 -0.87 -1.09 1.02 -1.26 -4.56 120.64 116.14 1pcp n GLU 54 Ca -0.02 0.54 -0.30 0.00 -0.02 0.00 0.00 57.16 57.37 1pcp n GLU 54 Cb 0.52 -2.03 0.24 0.00 -0.02 0.00 0.00 31.44 30.15 1pcp n GLU 54 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1pcp s SER 55 N -3.37 0.78 -0.45 1.62 0.01 -1.26 -5.04 113.70 105.99 1pcp s SER 55 Ca -0.01 0.90 0.06 0.00 1.31 0.00 0.00 55.95 58.20 1pcp s SER 55 Cb 0.04 -1.33 0.19 0.00 0.21 0.00 0.00 66.02 65.13 1pcp s SER 55 CO 0.11 -4.24 0.55 -0.62 0.41 0.00 0.00 173.24 169.45 1pcp n GLU 56 N -4.88 0.43 0.00 12.44 1.02 -1.26 -4.83 120.64 123.56 1pcp n GLU 56 Ca 0.10 -2.66 0.00 0.00 -0.02 0.00 0.00 57.16 54.58 1pcp n GLU 56 Cb 0.58 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 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 2.57 0.00 -0.02 3.49 0.28 -1.26 -4.94 120.64 120.77 1pcp n GLU 57 Ca 0.23 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.34 1pcp n GLU 57 Cb 0.53 0.00 0.59 0.00 1.43 0.00 0.00 31.44 33.99 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 -1.95 4.19 0.28 0.00 1.01 -1.26 -4.94 120.40 117.72 1pcp s VAL 59 Ca 0.34 1.40 -0.17 0.00 0.00 0.00 0.00 61.98 63.54 1pcp s VAL 59 Cb 0.16 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.52 1pcp s VAL 59 CO 0.27 -0.27 0.65 -0.04 0.00 0.00 0.00 175.10 175.70 1pcp s MET 60 N 3.82 1.76 0.56 2.72 -1.94 -1.26 -4.72 119.30 120.25 1pcp s MET 60 Ca 0.56 -1.13 -0.08 0.00 -1.71 0.00 0.00 55.69 53.32 1pcp s MET 60 Cb -0.20 0.56 -0.04 0.00 2.01 0.00 0.00 34.83 37.17 1pcp s MET 60 CO 0.19 -0.79 0.93 -0.65 -0.01 0.00 0.00 175.02 174.69 1pcp s GLN 61 N -3.77 3.56 0.19 2.03 -0.21 -1.26 -4.77 119.66 115.43 1pcp s GLN 61 Ca 0.15 0.51 -0.18 0.00 0.02 0.00 0.00 55.36 55.86 1pcp s GLN 61 Cb -0.04 -2.21 0.15 0.00 1.00 0.00 0.00 33.01 31.91 1pcp s GLN 61 CO 0.08 -0.42 1.62 -0.39 -2.12 0.00 0.00 175.29 174.06 1pcp h VAL 62 N -0.09 0.32 0.00 1.09 -1.51 -1.96 1.20 116.25 115.31 1pcp h VAL 62 Ca -0.45 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.00 1pcp h VAL 62 Cb 1.20 0.32 -0.00 0.00 -2.13 0.00 0.00 31.29 30.68 1pcp h VAL 62 CO 0.62 0.00 -0.08 -1.28 -1.23 0.00 0.00 177.57 175.60 1pcp h SER 63 N -0.11 0.00 0.25 4.19 0.87 -2.00 -2.75 113.55 114.01 1pcp h SER 63 Ca 0.24 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 1pcp h SER 63 Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1pcp h SER 63 CO -0.58 0.08 -0.12 0.00 -0.53 0.00 0.00 176.83 175.67 1pcp h ALA 64 N 1.92 -0.33 -2.00 6.23 0.00 0.86 -3.43 119.26 122.51 1pcp h ALA 64 Ca -0.00 -0.19 -0.61 0.00 0.00 0.00 0.00 54.91 54.11 1pcp h ALA 64 Cb 0.21 0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.15 1pcp h ALA 64 CO 0.01 -0.38 1.15 0.54 0.00 0.00 0.00 179.25 180.57 1pcp n ARG 65 N -5.00 2.17 0.00 0.00 1.74 0.13 -4.93 116.66 110.77 1pcp n ARG 65 Ca -0.07 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 57.79 1pcp n ARG 65 Cb 0.24 -2.70 0.00 0.00 -1.02 0.00 0.00 32.46 28.99 1pcp n ARG 65 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1pcp n LYS 66 N 6.93 0.00 -3.50 5.56 3.00 -1.26 -4.78 118.16 124.11 1pcp n LYS 66 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 1pcp n LYS 66 Cb 0.31 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.29 1pcp n LYS 66 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1pcp s ASN 67 N -1.05 -0.59 0.00 3.14 3.84 -1.26 -4.55 114.94 114.47 1pcp s ASN 67 Ca 0.00 0.85 0.00 0.00 0.21 0.00 0.00 52.86 53.92 1pcp s ASN 67 Cb 0.00 1.55 0.00 0.00 -0.55 0.00 0.00 41.25 42.25 1pcp s ASN 67 CO 0.00 -0.12 0.00 0.00 -2.79 0.00 0.00 177.10 174.19 1pcp n GLY 69 N 3.64 -1.86 3.41 0.00 0.00 -1.06 -5.02 105.19 104.30 1pcp n GLY 69 Ca 0.00 -1.22 -0.21 0.00 0.00 0.00 0.00 46.02 44.59 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 0.00 1.98 -0.77 1.61 -0.85 -1.26 -4.94 117.35 113.11 1pcp s TYR 70 Ca 0.00 -0.50 -0.26 0.00 -0.52 0.00 0.00 57.07 55.80 1pcp s TYR 70 Cb 0.00 -0.93 0.00 0.00 0.38 0.00 0.00 41.96 41.41 1pcp s TYR 70 CO 0.00 0.49 1.61 -1.25 -1.52 0.00 0.00 175.55 174.88 1pcp s PRO 71 N -3.60 2.97 0.00 -3.49 0.04 -1.26 -2.46 135.00 127.20 1pcp s PRO 71 Ca 0.26 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.19 1pcp s PRO 71 Cb -0.02 -4.59 0.00 0.00 0.04 0.00 0.00 34.50 29.93 1pcp s PRO 71 CO 0.11 -2.55 0.00 0.41 0.04 0.00 0.00 177.00 175.01 1pcp n GLY 72 N 5.98 0.59 3.57 0.56 0.00 -1.26 -5.14 105.19 109.49 1pcp n GLY 72 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 2.08 0.30 -0.61 2.07 -1.03 -5.05 121.20 118.96 1pcp s ILE 73 Ca 0.00 0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.27 1pcp s ILE 73 Cb 0.00 -2.09 0.01 0.00 0.13 0.00 0.00 42.46 40.51 1pcp s ILE 73 CO 0.00 -0.03 0.05 -1.20 -1.91 0.00 0.00 174.94 171.85 1pcp n SER 74 N -4.61 2.64 -4.52 4.50 7.64 -1.26 -5.04 113.62 112.96 1pcp n SER 74 Ca 0.07 -2.25 -0.29 0.00 1.01 0.00 0.00 58.87 57.41 1pcp n SER 74 Cb 0.53 0.16 0.16 0.00 -1.01 0.00 0.00 64.21 64.05 1pcp n SER 74 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1pcp s PRO 75 N -3.11 0.67 0.00 1.43 0.04 -1.26 -2.41 135.00 130.36 1pcp s PRO 75 Ca 0.04 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1pcp s PRO 75 Cb -0.00 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1pcp s PRO 75 CO 0.02 -2.48 0.00 -1.91 0.04 0.00 0.00 177.00 172.67 1pcp n GLU 76 N -3.93 0.00 0.23 4.56 0.00 -1.26 -3.89 120.64 116.35 1pcp n GLU 76 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.33 1pcp n GLU 76 Cb 0.59 0.00 0.54 0.00 0.00 0.00 0.00 31.44 32.57 1pcp n GLU 76 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1pcp h ASP 77 N 0.00 0.00 0.00 4.31 3.32 -2.00 0.19 116.42 122.25 1pcp h ASP 77 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pcp h ASP 77 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1pcp h ASP 77 CO 0.00 0.23 0.00 0.00 -1.72 0.00 0.00 179.24 177.75 1pcp h ALA 79 N -2.00 2.83 -0.03 0.00 0.00 -1.56 1.74 119.26 120.24 1pcp h ALA 79 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pcp h ALA 79 Cb 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1pcp h ALA 79 CO 0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 179.25 178.06 1pcp h ALA 80 N 1.50 -0.23 -0.51 0.00 0.00 -0.92 -3.37 119.26 115.72 1pcp h ALA 80 Ca 0.54 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 55.18 1pcp h ALA 80 Cb 1.94 0.82 -0.31 0.00 0.00 0.00 0.00 17.79 20.24 1pcp h ALA 80 CO -0.08 -0.24 -0.86 0.54 0.00 0.00 0.00 179.25 178.60 1pcp n ARG 81 N -2.92 1.32 -0.35 0.00 3.00 -0.71 -4.84 116.66 112.16 1pcp n ARG 81 Ca -0.00 -2.71 0.01 0.00 -0.01 0.00 0.00 57.85 55.13 1pcp n ARG 81 Cb 0.02 -0.83 0.01 0.00 0.00 0.00 0.00 32.46 31.65 1pcp n ARG 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1pcp n ASN 82 N -0.51 0.18 -0.17 0.55 5.03 0.58 -4.93 115.26 116.00 1pcp n ASN 82 Ca 0.02 -1.84 0.00 0.00 0.87 0.00 0.00 54.58 53.63 1pcp n ASN 82 Cb 0.83 -0.17 0.00 0.00 -1.02 0.00 0.00 39.78 39.42 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 -2.56 -0.01 -0.44 0.00 5.36 -1.24 -1.64 117.98 117.45 1pcp s PHE 85 Ca 0.66 -0.32 0.02 0.00 -0.96 0.00 0.00 56.93 56.34 1pcp s PHE 85 Cb -0.23 -0.63 0.14 0.00 -0.34 0.00 0.00 43.02 41.96 1pcp s PHE 85 CO 0.60 -0.71 0.25 0.45 -1.46 0.00 0.00 175.22 174.36 1pcp s SER 86 N 2.22 3.41 0.00 6.13 0.15 0.33 -4.79 113.70 121.14 1pcp s SER 86 Ca 0.07 -2.64 0.20 0.00 0.70 0.00 0.00 55.95 54.27 1pcp s SER 86 Cb -0.16 -0.90 0.89 0.00 -1.71 0.00 0.00 66.02 64.14 1pcp s SER 86 CO -0.23 -0.26 1.64 -0.90 1.20 0.00 0.00 173.24 174.69 1pcp n ASP 87 N 3.50 0.00 -0.41 5.45 5.75 -1.26 -3.66 116.55 125.91 1pcp n ASP 87 Ca 0.11 0.38 0.34 0.00 -0.01 0.00 0.00 54.79 55.61 1pcp n ASP 87 Cb 0.36 -0.45 0.55 0.00 -1.03 0.00 0.00 41.12 40.55 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 -1.45 -0.13 -3.57 2.12 5.66 -1.26 -2.78 114.28 112.87 1pcp n THR 88 Ca 0.06 1.28 -0.41 0.00 -3.05 0.00 0.00 64.05 61.94 1pcp n THR 88 Cb 0.21 -2.11 -0.09 0.00 -1.55 0.00 0.00 70.33 66.79 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 -4.70 4.21 0.28 1.09 -1.09 -1.24 -5.07 121.20 114.68 1pcp s ILE 89 Ca -0.05 -1.66 -0.29 0.00 -2.23 0.00 0.00 60.65 56.42 1pcp s ILE 89 Cb 0.22 -3.71 -0.09 0.00 -1.58 0.00 0.00 42.46 37.30 1pcp s ILE 89 CO 0.63 -0.68 1.08 -2.16 -1.23 0.00 0.00 174.94 172.58 1pcp s PRO 90 N 1.38 4.65 0.00 2.79 0.04 -1.12 -3.56 135.00 139.19 1pcp s PRO 90 Ca 0.05 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1pcp s PRO 90 Cb -0.25 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1pcp s PRO 90 CO 0.00 0.24 0.00 0.39 0.04 0.00 0.00 177.00 177.67 1pcp n GLU 91 N 1.18 0.00 -3.97 4.56 1.02 -1.26 -5.06 120.64 117.12 1pcp n GLU 91 Ca -0.01 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.01 1pcp n GLU 91 Cb 0.45 -2.46 -0.01 0.00 -0.02 0.00 0.00 31.44 29.40 1pcp n GLU 91 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1pcp s VAL 92 N -2.15 0.00 -0.51 2.62 -7.23 -1.23 -5.11 120.40 106.79 1pcp s VAL 92 Ca 0.00 -1.34 -0.28 0.00 -1.81 0.00 0.00 61.98 58.55 1pcp s VAL 92 Cb 0.00 -2.77 0.01 0.00 0.56 0.00 0.00 36.38 34.18 1pcp s VAL 92 CO 0.00 0.00 1.47 -2.16 -0.31 0.00 0.00 175.10 174.10 1pcp s PRO 93 N -2.66 3.33 0.07 4.82 0.04 -1.26 -4.85 135.00 134.48 1pcp s PRO 93 Ca 0.24 0.65 -0.15 0.00 0.04 0.00 0.00 61.00 61.78 1pcp s PRO 93 Cb -0.03 -4.12 -0.21 0.00 0.04 0.00 0.00 34.50 30.18 1pcp s PRO 93 CO 0.17 -1.89 1.21 -1.49 0.04 0.00 0.00 177.00 175.03 1pcp h TRP 94 N 11.35 0.96 -2.68 0.56 6.55 -1.87 -3.39 115.95 127.44 1pcp h TRP 94 Ca -0.27 -0.49 -0.69 0.00 0.95 0.00 0.00 58.89 58.39 1pcp h TRP 94 Cb 1.10 -0.12 -0.18 0.00 -0.86 0.00 0.00 29.16 29.10 1pcp h TRP 94 CO 1.01 1.32 0.57 0.00 -1.05 0.00 0.00 178.44 180.30 1pcp s PHE 96 N 2.75 2.58 0.20 0.00 -0.71 -0.65 0.22 117.98 122.36 1pcp s PHE 96 Ca 0.25 -0.52 -0.22 0.00 -1.04 0.00 0.00 56.93 55.40 1pcp s PHE 96 Cb -0.11 -1.73 -0.08 0.00 -1.21 0.00 0.00 43.02 39.89 1pcp s PHE 96 CO -0.02 0.34 0.74 -0.06 -1.34 0.00 0.00 175.22 174.88 1pcp s PHE 97 N -2.56 3.76 -1.20 3.49 0.08 -1.26 -0.09 117.98 120.20 1pcp s PHE 97 Ca 0.38 1.49 0.22 0.00 0.12 0.00 0.00 56.93 59.14 1pcp s PHE 97 Cb 0.02 -2.68 1.03 0.00 -0.57 0.00 0.00 43.02 40.82 1pcp s PHE 97 CO 0.21 0.42 1.72 -0.35 -0.10 0.00 0.00 175.22 177.11 1pcp n PRO 98 N 1.12 0.15 -2.56 0.24 -0.04 -1.26 -4.80 135.00 127.84 1pcp n PRO 98 Ca -0.04 0.10 -0.34 0.00 -0.04 0.00 0.00 63.50 63.18 1pcp n PRO 98 Cb 0.50 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.42 1pcp n PRO 98 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pcp s MET 99 N -2.80 3.83 0.00 0.54 0.23 -1.26 -4.93 119.30 114.91 1pcp s MET 99 Ca 0.16 1.35 0.00 0.00 -1.03 0.00 0.00 55.69 56.17 1pcp s MET 99 Cb 0.15 -2.11 0.00 0.00 -1.53 0.00 0.00 34.83 31.34 1pcp s MET 99 CO 0.37 -0.40 0.00 -1.13 -2.03 0.00 0.00 175.02 171.83 1pcp n SER 100 N -0.93 0.00 0.00 -1.18 3.41 -1.26 -5.02 113.62 108.64 1pcp n SER 100 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1pcp n SER 100 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 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 1.49 0.00 -0.26 -3.33 0.24 -1.26 -4.85 118.33 110.36 1pcp n VAL 101 Ca 0.00 0.36 0.00 0.00 -2.04 0.00 0.00 64.34 62.66 1pcp n VAL 101 Cb 0.00 -0.74 0.00 0.00 -1.47 0.00 0.00 33.84 31.63 1pcp n VAL 101 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1pcp n GLU 102 N 0.00 0.00 -0.73 7.34 -0.58 -1.26 -4.94 120.64 120.47 1pcp n GLU 102 Ca 0.00 0.03 0.08 0.00 -0.42 0.00 0.00 57.16 56.86 1pcp n GLU 102 Cb 0.00 -0.85 0.37 0.00 -0.57 0.00 0.00 31.44 30.38 1pcp n GLU 102 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1pcp n ASP 103 N 0.14 5.12 -4.13 1.62 5.75 -1.26 -5.01 116.55 118.78 1pcp n ASP 103 Ca 0.00 -2.73 -0.38 0.00 -0.01 0.00 0.00 54.79 51.67 1pcp n ASP 103 Cb 0.00 -0.62 0.01 0.00 -1.03 0.00 0.00 41.12 39.48 1pcp n ASP 103 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pcp s HIS 105 N -1.96 0.72 -2.63 0.00 -3.43 -1.25 -4.82 115.29 101.92 1pcp s HIS 105 Ca 0.54 -1.09 0.27 0.00 -0.80 0.00 0.00 55.06 53.98 1pcp s HIS 105 Cb -0.45 -0.35 0.82 0.00 -1.43 0.00 0.00 32.58 31.17 1pcp s HIS 105 CO 0.66 -0.58 1.62 0.66 -2.00 0.00 0.00 174.74 175.10