#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pk1 s PRO 13 N 0.00 2.94 0.44 0.54 0.02 -1.26 -4.90 135.00 132.79 1pk1 s PRO 13 Ca 0.00 1.76 0.10 0.00 0.02 0.00 0.00 61.00 62.87 1pk1 s PRO 13 Cb 0.00 -1.93 0.98 0.00 0.02 0.00 0.00 34.50 33.57 1pk1 s PRO 13 CO 0.00 -1.21 2.09 0.82 -0.33 0.00 0.00 177.00 178.36 1pk1 h ILE 14 N 0.76 1.07 0.00 2.83 2.04 -1.95 -0.39 117.51 121.87 1pk1 h ILE 14 Ca -0.50 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1pk1 h ILE 14 Cb 1.29 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1pk1 h ILE 14 CO 0.55 0.07 0.10 0.77 0.00 0.00 0.00 178.15 179.64 1pk1 h SER 15 N 0.40 0.00 0.03 1.72 4.64 -1.91 0.15 113.55 118.58 1pk1 h SER 15 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1pk1 h SER 15 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1pk1 h SER 15 CO -0.02 0.00 -0.57 -1.54 -0.87 0.00 0.00 176.83 173.82 1pk1 n SER 16 N -2.71 1.66 -4.76 4.97 3.41 -0.16 -4.28 113.62 111.75 1pk1 n SER 16 Ca -0.02 -1.31 -0.41 0.00 -0.26 0.00 0.00 58.87 56.87 1pk1 n SER 16 Cb 0.15 0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 64.63 1pk1 n SER 16 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1pk1 s TRP 17 N -2.61 2.93 0.82 7.33 0.52 0.53 -4.91 118.94 123.55 1pk1 s TRP 17 Ca 0.16 1.21 -0.07 0.00 0.02 0.00 0.00 56.10 57.43 1pk1 s TRP 17 Cb 0.18 -3.82 0.16 0.00 -1.15 0.00 0.00 33.47 28.84 1pk1 s TRP 17 CO 0.64 -2.44 1.13 -1.54 0.02 0.00 0.00 176.95 174.76 1pk1 s SER 18 N -0.09 3.80 0.30 2.95 1.04 -1.26 -0.30 113.70 120.14 1pk1 s SER 18 Ca 0.54 -0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.81 1pk1 s SER 18 Cb -0.42 -0.04 0.49 0.00 0.10 0.00 0.00 66.02 66.14 1pk1 s SER 18 CO 0.52 -2.25 1.84 0.58 0.98 0.00 0.00 173.24 174.90 1pk1 h VAL 19 N -0.99 1.22 -0.57 5.02 2.07 -1.91 -2.01 116.25 119.07 1pk1 h VAL 19 Ca -0.39 -0.84 -0.11 0.00 0.82 0.00 0.00 66.70 66.18 1pk1 h VAL 19 Cb 1.25 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1pk1 h VAL 19 CO 0.38 0.30 -0.07 0.44 0.02 0.00 0.00 177.57 178.64 1pk1 h ASP 20 N 0.64 1.05 -0.68 0.57 3.32 -1.93 0.24 116.42 119.62 1pk1 h ASP 20 Ca 0.14 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 1pk1 h ASP 20 Cb 0.35 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1pk1 h ASP 20 CO 0.01 1.13 0.37 0.44 -1.72 0.00 0.00 179.24 179.47 1pk1 h ASP 21 N 0.95 0.86 -0.47 6.45 3.32 -1.82 -1.05 116.42 124.65 1pk1 h ASP 21 Ca 0.15 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 1pk1 h ASP 21 Cb 0.63 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1pk1 h ASP 21 CO 0.04 0.71 0.12 0.58 -1.72 0.00 0.00 179.24 178.97 1pk1 h VAL 22 N 0.94 1.24 -0.73 -1.35 2.07 -1.07 -1.42 116.25 115.93 1pk1 h VAL 22 Ca 0.24 -0.82 0.05 0.00 0.82 0.00 0.00 66.70 66.99 1pk1 h VAL 22 Cb 0.05 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1pk1 h VAL 22 CO -0.04 0.29 0.44 0.28 0.02 0.00 0.00 177.57 178.56 1pk1 h SER 23 N 0.63 0.68 -0.43 0.57 0.02 -0.47 -0.10 113.55 114.45 1pk1 h SER 23 Ca 0.15 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 1pk1 h SER 23 Cb 0.32 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1pk1 h SER 23 CO 0.00 0.45 0.04 0.78 -1.14 0.00 0.00 176.83 176.96 1pk1 h ASN 24 N 0.82 0.72 -0.29 3.07 2.35 -0.98 -0.80 115.58 120.46 1pk1 h ASN 24 Ca 0.31 -0.28 0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1pk1 h ASN 24 Cb 0.12 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 1pk1 h ASN 24 CO -0.15 0.82 0.06 0.15 -1.65 0.00 0.00 177.43 176.66 1pk1 h PHE 25 N 0.59 0.11 0.14 1.19 3.57 -0.60 -1.89 116.94 120.05 1pk1 h PHE 25 Ca 0.13 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1pk1 h PHE 25 Cb 0.43 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1pk1 h PHE 25 CO 0.03 0.03 -0.07 0.82 -2.23 0.00 0.00 178.31 176.89 1pk1 h ILE 26 N 0.18 0.99 -0.38 1.41 1.08 -0.89 -2.55 117.51 117.34 1pk1 h ILE 26 Ca 0.14 -0.64 0.06 0.00 -0.39 0.00 0.00 64.86 64.02 1pk1 h ILE 26 Cb 0.14 1.39 -0.02 0.00 -3.07 0.00 0.00 36.82 35.25 1pk1 h ILE 26 CO -0.17 0.15 0.26 -0.09 -0.69 0.00 0.00 178.15 177.61 1pk1 h ARG 27 N -0.50 0.27 -0.01 2.37 2.43 -1.09 -1.73 114.38 116.12 1pk1 h ARG 27 Ca -0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1pk1 h ARG 27 Cb 0.39 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1pk1 h ARG 27 CO 0.03 0.18 -0.15 0.39 -1.51 0.00 0.00 179.97 178.91 1pk1 n GLU 28 N -4.48 1.17 -1.79 0.20 1.02 -0.72 -4.88 120.64 111.17 1pk1 n GLU 28 Ca 0.05 -0.68 -0.43 0.00 -0.02 0.00 0.00 57.16 56.08 1pk1 n GLU 28 Cb 0.25 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.16 1pk1 n GLU 28 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1pk1 s LEU 29 N -2.30 3.98 0.17 -4.62 2.96 -0.65 -4.89 118.68 113.33 1pk1 s LEU 29 Ca 0.30 2.12 -0.33 0.00 -0.22 0.00 0.00 54.13 56.00 1pk1 s LEU 29 Cb 0.20 -3.52 -0.13 0.00 0.50 0.00 0.00 46.19 43.23 1pk1 s LEU 29 CO 0.44 -1.38 1.63 -0.81 -1.32 0.00 0.00 176.35 174.91 1pk1 n PRO 30 N 7.92 2.35 0.00 0.98 -0.04 -1.26 -4.90 135.00 140.06 1pk1 n PRO 30 Ca 0.22 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.53 1pk1 n PRO 30 Cb 0.43 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 1pk1 n PRO 30 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pk1 n GLY 31 N 3.60 -0.09 0.26 0.55 0.00 -1.26 -5.01 105.19 103.24 1pk1 n GLY 31 Ca 0.17 -1.05 0.15 0.00 0.00 0.00 0.00 46.02 45.28 1pk1 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pk1 s GLN 33 N -2.00 1.71 -0.11 0.00 -0.21 -1.26 -5.15 119.66 112.64 1pk1 s GLN 33 Ca 0.42 -2.00 -0.01 0.00 0.02 0.00 0.00 55.36 53.80 1pk1 s GLN 33 Cb 0.21 -0.15 0.03 0.00 1.00 0.00 0.00 33.01 34.10 1pk1 s GLN 33 CO 0.35 -0.49 -0.04 0.34 -2.12 0.00 0.00 175.29 173.33 1pk1 s ASP 34 N -3.43 2.10 -0.07 5.90 -1.08 -1.26 -5.02 116.67 113.81 1pk1 s ASP 34 Ca 0.34 -0.30 0.15 0.00 -0.52 0.00 0.00 52.55 52.22 1pk1 s ASP 34 Cb 0.04 -0.70 0.50 0.00 -1.46 0.00 0.00 42.92 41.30 1pk1 s ASP 34 CO 0.19 -0.16 1.42 -1.22 0.52 0.00 0.00 175.17 175.91 1pk1 n TYR 35 N 5.01 0.88 -0.23 -5.34 4.01 -1.26 -4.70 117.16 115.54 1pk1 n TYR 35 Ca -0.10 -0.61 -0.02 0.00 -0.16 0.00 0.00 57.90 57.01 1pk1 n TYR 35 Cb 0.50 -0.14 0.09 0.00 -0.31 0.00 0.00 39.34 39.48 1pk1 n TYR 35 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1pk1 h VAL 36 N 2.77 0.98 -0.95 -0.72 3.04 -1.89 -2.48 116.25 117.00 1pk1 h VAL 36 Ca 0.00 -0.23 0.02 0.00 -1.01 0.00 0.00 66.70 65.47 1pk1 h VAL 36 Cb 1.09 0.24 -0.05 0.00 -2.01 0.00 0.00 31.29 30.56 1pk1 h VAL 36 CO 0.11 0.12 0.62 0.44 -1.01 0.00 0.00 177.57 177.85 1pk1 h ASP 37 N 0.68 1.07 -0.68 3.17 3.32 -1.97 -0.09 116.42 121.91 1pk1 h ASP 37 Ca 0.29 -0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.37 1pk1 h ASP 37 Cb 0.16 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.40 1pk1 h ASP 37 CO -0.17 0.76 0.39 0.44 -1.72 0.00 0.00 179.24 178.94 1pk1 h ASP 38 N 1.26 0.59 -0.12 6.45 3.32 -1.80 -1.28 116.42 124.84 1pk1 h ASP 38 Ca 0.36 0.02 -0.17 0.00 0.02 0.00 0.00 57.03 57.26 1pk1 h ASP 38 Cb -0.11 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.36 1pk1 h ASP 38 CO -0.09 0.38 -0.61 -0.26 -1.72 0.00 0.00 179.24 176.95 1pk1 h PHE 39 N 0.72 0.84 -1.00 4.55 -1.00 -1.11 -3.15 116.94 116.79 1pk1 h PHE 39 Ca 0.30 -0.37 0.01 0.00 2.81 0.00 0.00 57.97 60.72 1pk1 h PHE 39 Cb 0.16 -0.13 -0.05 0.00 3.61 0.00 0.00 35.95 39.54 1pk1 h PHE 39 CO -0.07 1.17 0.67 0.82 -1.61 0.00 0.00 178.31 179.29 1pk1 h ILE 40 N 0.27 1.25 -0.15 -0.55 2.04 -0.81 -1.95 117.51 117.61 1pk1 h ILE 40 Ca -0.04 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 1pk1 h ILE 40 Cb 1.25 -0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1pk1 h ILE 40 CO 0.13 0.25 0.02 -0.61 0.00 0.00 0.00 178.15 177.93 1pk1 h GLN 41 N 1.35 0.21 -0.50 2.37 4.15 -1.27 -2.70 115.11 118.72 1pk1 h GLN 41 Ca 0.37 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.77 1pk1 h GLN 41 Cb -0.15 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.50 1pk1 h GLN 41 CO -0.08 0.22 0.00 1.04 -1.93 0.00 0.00 178.83 178.08 1pk1 n GLN 42 N -4.43 2.38 -3.80 1.69 1.13 -0.76 -4.97 117.38 108.62 1pk1 n GLN 42 Ca -0.01 -2.12 -0.25 0.00 -1.94 0.00 0.00 57.00 52.68 1pk1 n GLN 42 Cb 0.15 -1.48 0.01 0.00 0.11 0.00 0.00 30.24 29.03 1pk1 n GLN 42 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1pk1 n GLU 43 N 1.25 -3.31 -2.84 -1.09 1.02 -1.02 -4.90 120.64 109.76 1pk1 n GLU 43 Ca 0.20 0.49 -0.43 0.00 -0.02 0.00 0.00 57.16 57.40 1pk1 n GLU 43 Cb 0.52 -4.66 -0.04 0.00 -0.02 0.00 0.00 31.44 27.24 1pk1 n GLU 43 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1pk1 s ILE 44 N -3.75 4.40 0.25 -3.67 -1.09 -1.19 -4.97 121.20 111.18 1pk1 s ILE 44 Ca 0.12 0.34 0.03 0.00 -2.23 0.00 0.00 60.65 58.91 1pk1 s ILE 44 Cb -0.04 -4.53 0.04 0.00 -1.58 0.00 0.00 42.46 36.36 1pk1 s ILE 44 CO 0.86 -1.08 0.34 -0.90 -1.23 0.00 0.00 174.94 172.93 1pk1 n ASP 45 N 7.43 0.83 -0.19 3.58 5.68 -1.26 -4.36 116.55 128.25 1pk1 n ASP 45 Ca 0.02 -1.61 -0.04 0.00 -0.50 0.00 0.00 54.79 52.66 1pk1 n ASP 45 Cb 0.48 -0.19 0.06 0.00 -1.14 0.00 0.00 41.12 40.33 1pk1 n ASP 45 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1pk1 h GLY 46 N -0.00 0.80 0.93 6.12 0.00 -0.80 0.12 103.07 110.23 1pk1 h GLY 46 Ca -0.12 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.02 1pk1 h GLY 46 CO 0.16 0.14 0.21 1.46 0.00 0.00 0.00 176.54 178.51 1pk1 h GLN 47 N 0.58 0.42 -0.54 4.80 4.20 -1.75 -1.92 115.11 120.91 1pk1 h GLN 47 Ca 0.24 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.84 1pk1 h GLN 47 Cb 0.12 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1pk1 h GLN 47 CO -0.15 0.28 -0.03 0.00 -0.67 0.00 0.00 178.83 178.25 1pk1 h ALA 48 N 1.15 0.93 -0.86 3.87 0.00 -1.84 -2.86 119.26 119.65 1pk1 h ALA 48 Ca 0.14 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1pk1 h ALA 48 Cb -0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1pk1 h ALA 48 CO -0.06 0.64 0.57 1.25 0.00 0.00 0.00 179.25 181.65 1pk1 h LEU 49 N 0.86 0.98 -1.59 0.00 5.85 -0.36 0.40 115.31 121.46 1pk1 h LEU 49 Ca 0.15 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 1pk1 h LEU 49 Cb 0.55 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1pk1 h LEU 49 CO 0.03 0.70 -0.22 -0.07 -0.34 0.00 0.00 178.44 178.54 1pk1 h LEU 50 N 1.16 0.00 0.00 2.25 3.38 -1.13 -2.71 115.31 118.25 1pk1 h LEU 50 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1pk1 h LEU 50 Cb -0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1pk1 h LEU 50 CO -0.07 0.22 -0.77 0.18 0.09 0.00 0.00 178.44 178.09 1pk1 n LEU 51 N -3.94 0.62 -4.65 1.67 4.77 -0.33 -4.89 117.00 110.26 1pk1 n LEU 51 Ca -0.02 -0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.53 1pk1 n LEU 51 Cb 0.30 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1pk1 n LEU 51 CO 0.35 0.07 1.14 -0.22 -1.33 0.00 0.00 177.39 177.39 1pk1 s LEU 52 N -3.60 4.09 0.41 2.23 2.96 -0.02 -5.02 118.68 119.73 1pk1 s LEU 52 Ca 0.07 1.60 0.07 0.00 -0.22 0.00 0.00 54.13 55.64 1pk1 s LEU 52 Cb 0.15 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.23 1pk1 s LEU 52 CO 0.76 -0.90 0.01 -0.54 -1.32 0.00 0.00 176.35 174.36 1pk1 s LYS 53 N 3.81 1.95 0.29 1.98 -0.14 -1.26 -4.87 119.74 121.51 1pk1 s LYS 53 Ca 0.58 -2.11 0.04 0.00 -1.36 0.00 0.00 55.97 53.13 1pk1 s LYS 53 Cb -0.21 -1.59 0.74 0.00 -1.68 0.00 0.00 37.83 35.09 1pk1 s LYS 53 CO 0.19 -0.07 1.70 0.93 -0.76 0.00 0.00 175.35 177.35 1pk1 h GLU 54 N 1.78 0.43 -0.78 1.68 3.07 -1.95 0.31 114.58 119.10 1pk1 h GLU 54 Ca -0.44 -0.03 0.05 0.00 -0.50 0.00 0.00 59.36 58.44 1pk1 h GLU 54 Cb 1.24 -0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 29.01 1pk1 h GLU 54 CO 0.80 0.28 0.51 1.57 -1.40 0.00 0.00 179.01 180.78 1pk1 h LYS 55 N 0.44 0.88 -0.03 2.33 2.10 -1.98 -0.01 116.57 120.30 1pk1 h LYS 55 Ca 0.57 -0.05 -0.06 0.00 -2.00 0.00 0.00 60.65 59.10 1pk1 h LYS 55 Cb 1.07 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.20 1pk1 h LYS 55 CO -0.51 0.58 -0.23 0.45 -2.00 0.00 0.00 179.45 177.74 1pk1 h HIS 56 N 0.91 0.29 -0.81 0.07 3.86 -1.36 0.10 115.15 118.21 1pk1 h HIS 56 Ca 0.32 -0.14 -0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1pk1 h HIS 56 Cb 0.14 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 28.52 1pk1 h HIS 56 CO -0.00 0.88 0.49 -0.07 0.86 0.00 0.00 177.93 180.09 1pk1 h LEU 57 N -0.38 0.97 0.00 2.43 3.38 -1.14 -0.73 115.31 119.84 1pk1 h LEU 57 Ca -0.02 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1pk1 h LEU 57 Cb 0.92 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1pk1 h LEU 57 CO 0.05 0.74 -0.01 0.58 0.09 0.00 0.00 178.44 179.89 1pk1 h VAL 58 N 1.11 0.07 0.00 1.22 2.07 -1.07 -2.27 116.25 117.38 1pk1 h VAL 58 Ca 0.29 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1pk1 h VAL 58 Cb -0.05 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1pk1 h VAL 58 CO -0.06 0.02 0.00 0.78 0.02 0.00 0.00 177.57 178.34 1pk1 h ASN 59 N -1.00 0.00 -0.29 0.57 2.35 -1.07 -2.00 115.58 114.15 1pk1 h ASN 59 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1pk1 h ASN 59 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1pk1 h ASN 59 CO -0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 1pk1 n ALA 60 N -1.99 2.55 -3.01 -0.83 0.00 -0.28 -5.02 120.51 111.93 1pk1 n ALA 60 Ca 0.03 -1.71 0.02 0.00 0.00 0.00 0.00 53.44 51.77 1pk1 n ALA 60 Cb 0.38 -0.55 -0.00 0.00 0.00 0.00 0.00 19.45 19.28 1pk1 n ALA 60 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1pk1 s GLY 62 N -1.47 -1.37 0.13 0.00 0.00 -0.75 -5.03 107.32 98.82 1pk1 s GLY 62 Ca 0.31 0.84 0.08 0.00 0.00 0.00 0.00 44.72 45.95 1pk1 s GLY 62 CO 0.12 3.97 -0.10 0.54 0.00 0.00 0.00 173.10 177.63 1pk1 s LYS 64 N 2.02 2.09 0.25 2.90 -0.14 -1.26 -4.95 119.74 120.64 1pk1 s LYS 64 Ca 0.16 -1.10 -0.06 0.00 -1.36 0.00 0.00 55.97 53.61 1pk1 s LYS 64 Cb -0.01 -2.26 0.26 0.00 -1.68 0.00 0.00 37.83 34.14 1pk1 s LYS 64 CO -0.12 0.49 1.91 1.25 -0.76 0.00 0.00 175.35 178.11 1pk1 h LEU 65 N 3.43 1.14 0.41 3.17 5.85 -1.97 -2.34 115.31 124.99 1pk1 h LEU 65 Ca -0.48 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.18 1pk1 h LEU 65 Cb 1.18 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1pk1 h LEU 65 CO 0.52 0.85 -0.44 1.23 -0.34 0.00 0.00 178.44 180.26 1pk1 h GLY 66 N 1.32 -1.05 0.82 3.75 0.00 -2.02 0.76 103.07 106.65 1pk1 h GLY 66 Ca 0.35 0.51 0.04 0.00 0.00 0.00 0.00 47.33 48.23 1pk1 h GLY 66 CO -0.07 -0.34 0.52 -2.55 0.00 0.00 0.00 176.54 174.10 1pk1 h PRO 67 N -0.87 0.96 -0.19 4.80 0.11 -1.99 -2.27 132.00 132.55 1pk1 h PRO 67 Ca -0.04 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.02 1pk1 h PRO 67 Cb 0.78 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1pk1 h PRO 67 CO -0.08 0.63 0.11 0.00 -0.21 0.00 0.00 178.00 178.45 1pk1 h ALA 68 N 1.36 0.23 -0.89 -0.75 0.00 -1.12 -1.38 119.26 116.70 1pk1 h ALA 68 Ca 0.34 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.25 1pk1 h ALA 68 Cb 0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1pk1 h ALA 68 CO -0.13 -0.31 0.58 -0.09 0.00 0.00 0.00 179.25 179.30 1pk1 h ARG 69 N 0.22 1.19 -0.40 0.00 2.43 -0.52 -1.60 114.38 115.69 1pk1 h ARG 69 Ca 0.07 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 1pk1 h ARG 69 Cb -0.01 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.27 1pk1 h ARG 69 CO -0.03 0.80 -0.15 0.87 -1.51 0.00 0.00 179.97 179.95 1pk1 h LYS 70 N 1.22 0.74 0.10 0.20 1.57 -1.07 -0.18 116.57 119.14 1pk1 h LYS 70 Ca 0.33 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1pk1 h LYS 70 Cb -0.12 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.14 1pk1 h LYS 70 CO -0.07 0.85 -0.05 0.82 -0.57 0.00 0.00 179.45 180.43 1pk1 h ILE 71 N 0.67 1.07 -0.96 1.86 2.04 -0.89 -0.54 117.51 120.76 1pk1 h ILE 71 Ca 0.11 -0.68 0.11 0.00 1.00 0.00 0.00 64.86 65.40 1pk1 h ILE 71 Cb 0.62 1.50 -0.08 0.00 -0.74 0.00 0.00 36.82 38.13 1pk1 h ILE 71 CO 0.04 0.16 0.59 0.58 0.00 0.00 0.00 178.15 179.53 1pk1 h VAL 72 N -0.45 0.93 -0.54 1.67 2.07 -1.18 -0.67 116.25 118.09 1pk1 h VAL 72 Ca -0.01 -0.33 -0.10 0.00 0.82 0.00 0.00 66.70 67.08 1pk1 h VAL 72 Cb 0.37 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1pk1 h VAL 72 CO 0.02 0.18 -0.05 0.00 0.02 0.00 0.00 177.57 177.73 1pk1 h ALA 73 N 1.51 0.87 -0.22 1.67 0.00 -0.85 -1.98 119.26 120.26 1pk1 h ALA 73 Ca 0.47 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1pk1 h ALA 73 Cb 0.42 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1pk1 h ALA 73 CO -0.25 0.65 0.05 -0.22 0.00 0.00 0.00 179.25 179.48 1pk1 h LYS 74 N 0.89 0.36 -0.18 0.00 1.63 0.09 -1.38 116.57 117.98 1pk1 h LYS 74 Ca 0.15 -0.09 0.04 0.00 -0.85 0.00 0.00 60.65 59.90 1pk1 h LYS 74 Cb 0.59 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.13 1pk1 h LYS 74 CO 0.04 0.48 -0.09 0.28 -3.45 0.00 0.00 179.45 176.71 1pk1 h VAL 75 N 0.18 0.72 -0.39 2.00 2.07 -1.03 -0.77 116.25 119.03 1pk1 h VAL 75 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 1pk1 h VAL 75 Cb 0.29 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1pk1 h VAL 75 CO 0.00 0.00 0.19 1.05 0.02 0.00 0.00 177.57 178.84 1pk1 h GLU 76 N -0.07 0.54 -0.40 1.57 -0.00 -1.22 -1.92 114.58 113.08 1pk1 h GLU 76 Ca 0.10 -0.05 -0.12 0.00 -0.00 0.00 0.00 59.36 59.28 1pk1 h GLU 76 Cb 0.22 -0.11 -0.01 0.00 -0.00 0.00 0.00 28.75 28.85 1pk1 h GLU 76 CO -0.23 0.41 -0.23 0.66 -0.00 0.00 0.00 179.01 179.62 1pk1 h SER 77 N 0.54 0.89 -0.66 3.06 4.64 -0.47 -3.09 113.55 118.47 1pk1 h SER 77 Ca 0.14 -0.42 -0.04 0.00 -0.47 0.00 0.00 61.79 61.00 1pk1 h SER 77 Cb 0.05 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 61.86 1pk1 h SER 77 CO -0.02 1.12 0.25 0.40 -0.87 0.00 0.00 176.83 177.71 1pk1 h ILE 78 N 0.67 1.24 0.00 0.95 2.04 -0.73 -3.51 117.51 118.17 1pk1 h ILE 78 Ca 0.08 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1pk1 h ILE 78 Cb 0.80 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1pk1 h ILE 78 CO 0.07 0.31 0.00 1.17 0.00 0.00 0.00 178.15 179.69