#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pav n ASP 2 N 0.00 1.82 0.00 6.12 2.03 -1.26 -4.79 116.55 120.47 1pav n ASP 2 Ca 0.00 -1.52 0.00 0.00 0.52 0.00 0.00 54.79 53.79 1pav n ASP 2 Cb 0.00 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.36 1pav n ASP 2 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1pav n VAL 3 N 0.16 0.00 -0.59 5.18 0.31 -1.26 -2.65 118.33 119.48 1pav n VAL 3 Ca 0.04 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.45 1pav n VAL 3 Cb 0.21 0.00 0.36 0.00 -0.91 0.00 0.00 33.84 33.50 1pav n VAL 3 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1pav n LYS 4 N 0.00 4.01 -2.52 5.55 3.00 -1.26 -4.96 118.16 121.98 1pav n LYS 4 Ca 0.00 -2.81 -0.38 0.00 -0.00 0.00 0.00 58.31 55.12 1pav n LYS 4 Cb 0.00 -2.00 -0.04 0.00 0.00 0.00 0.00 35.03 32.98 1pav n LYS 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1pav s PRO 5 N -2.14 4.42 -0.37 1.64 0.04 -1.08 -5.00 135.00 132.50 1pav s PRO 5 Ca 0.50 1.65 -0.07 0.00 0.04 0.00 0.00 61.00 63.12 1pav s PRO 5 Cb 0.34 -2.88 0.06 0.00 0.04 0.00 0.00 34.50 32.06 1pav s PRO 5 CO 0.20 0.06 0.16 0.34 0.04 0.00 0.00 177.00 177.80 1pav s ASP 6 N -1.22 5.41 0.37 6.66 3.68 -1.23 -4.27 116.67 126.07 1pav s ASP 6 Ca 0.51 -1.36 -0.14 0.00 2.13 0.00 0.00 52.55 53.69 1pav s ASP 6 Cb -0.27 -1.90 0.05 0.00 -1.45 0.00 0.00 42.92 39.34 1pav s ASP 6 CO 0.34 -0.42 0.74 -0.60 0.13 0.00 0.00 175.17 175.37 1pav s ARG 7 N 1.38 2.16 -0.30 4.34 3.52 -1.26 -4.71 118.95 124.08 1pav s ARG 7 Ca 0.01 -1.44 0.03 0.00 -0.13 0.00 0.00 55.73 54.20 1pav s ARG 7 Cb -0.21 0.60 0.08 0.00 -1.56 0.00 0.00 34.95 33.86 1pav s ARG 7 CO 0.02 -0.99 -0.03 0.14 -0.81 0.00 0.00 175.30 173.63 1pav s VAL 8 N -2.55 2.13 -0.23 7.11 -7.23 -1.26 -4.19 120.40 114.19 1pav s VAL 8 Ca 0.17 -1.93 -0.03 0.00 -1.81 0.00 0.00 61.98 58.38 1pav s VAL 8 Cb -0.05 -2.41 0.12 0.00 0.56 0.00 0.00 36.38 34.60 1pav s VAL 8 CO 0.12 -0.32 0.31 -0.63 -0.31 0.00 0.00 175.10 174.27 1pav s ILE 9 N 1.05 -0.48 -0.17 -0.62 1.09 0.14 -4.94 121.20 117.27 1pav s ILE 9 Ca 0.01 -0.09 -0.12 0.00 -1.10 0.00 0.00 60.65 59.35 1pav s ILE 9 Cb -0.19 -0.76 0.05 0.00 -1.06 0.00 0.00 42.46 40.50 1pav s ILE 9 CO -0.07 -0.16 0.43 1.51 -0.10 0.00 0.00 174.94 176.54 1pav s ASP 10 N 2.45 -0.50 -0.12 3.58 3.84 -1.24 0.44 116.67 125.11 1pav s ASP 10 Ca 0.10 0.90 -0.00 0.00 -0.00 0.00 0.00 52.55 53.55 1pav s ASP 10 Cb -0.16 0.83 0.03 0.00 -1.38 0.00 0.00 42.92 42.24 1pav s ASP 10 CO -0.14 -0.18 -0.08 0.00 -0.00 0.00 0.00 175.17 174.77 1pav s ALA 11 N 0.97 1.35 -0.46 2.11 0.00 6.42 -4.74 121.76 127.42 1pav s ALA 11 Ca -0.06 -0.58 -0.10 0.00 0.00 0.00 0.00 51.96 51.22 1pav s ALA 11 Cb -0.06 -0.94 0.10 0.00 0.00 0.00 0.00 23.12 22.22 1pav s ALA 11 CO -0.08 -0.45 0.33 1.03 0.00 0.00 0.00 175.76 176.59 1pav s ARG 12 N 1.70 2.61 0.00 0.00 3.00 -1.26 -2.08 118.95 122.92 1pav s ARG 12 Ca 0.05 -1.61 0.00 0.00 0.00 0.00 0.00 55.73 54.17 1pav s ARG 12 Cb -0.13 -3.92 0.00 0.00 0.00 0.00 0.00 34.95 30.90 1pav s ARG 12 CO -0.08 -1.10 0.00 0.41 0.00 0.00 0.00 175.30 174.53 1pav n GLY 13 N 4.97 0.88 0.49 -3.53 0.00 -1.26 -4.83 105.19 101.90 1pav n GLY 13 Ca -0.10 -0.46 0.14 0.00 0.00 0.00 0.00 46.02 45.60 1pav n GLY 13 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pav n SER 14 N 0.87 1.59 0.00 1.61 7.64 -1.26 -4.37 113.62 119.70 1pav n SER 14 Ca 0.00 -1.46 0.00 0.00 1.01 0.00 0.00 58.87 58.42 1pav n SER 14 Cb 0.06 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1pav n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pav n TYR 15 N 0.17 -0.14 0.00 1.43 4.11 -1.26 3.12 117.16 124.58 1pav n TYR 15 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.07 1pav n TYR 15 Cb 0.38 0.10 0.00 0.00 -0.00 0.00 0.00 39.34 39.82 1pav n TYR 15 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1pav n PRO 17 N 0.00 1.44 -0.02 0.00 -0.04 0.44 0.33 135.00 137.15 1pav n PRO 17 Ca 0.00 0.00 0.22 0.00 -0.04 0.00 0.00 63.50 63.68 1pav n PRO 17 Cb 0.00 0.00 0.71 0.00 -0.04 0.00 0.00 33.50 34.17 1pav n PRO 17 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1pav h GLY 18 N 0.00 0.00 2.00 0.55 0.00105.04 0.88 103.07 211.54 1pav h GLY 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pav h GLY 18 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 176.54 174.99 1pav n PRO 19 N -4.21 0.09 -0.63 4.80 -0.04 -1.11 -3.54 135.00 130.36 1pav n PRO 19 Ca 0.11 0.20 0.49 0.00 -0.04 0.00 0.00 63.50 64.26 1pav n PRO 19 Cb 0.68 -1.63 0.75 0.00 -0.04 0.00 0.00 33.50 33.27 1pav n PRO 19 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1pav n LEU 20 N -1.79 0.00 0.06 1.53 -0.00 0.30 0.57 117.00 117.68 1pav n LEU 20 Ca 0.05 0.95 0.11 0.00 -0.00 0.00 0.00 56.01 57.12 1pav n LEU 20 Cb 0.28 -0.45 -0.02 0.00 -0.00 0.00 0.00 43.42 43.23 1pav n LEU 20 CO 0.22 -0.95 -0.11 0.23 -0.00 0.00 0.00 177.39 176.79 1pav n MET 21 N -3.79 0.53 0.10 1.47 2.81 -1.23 -3.27 117.12 113.74 1pav n MET 21 Ca 0.41 0.03 0.14 0.00 -1.81 0.00 0.00 57.70 56.48 1pav n MET 21 Cb 1.93 -1.71 0.65 0.00 -0.71 0.00 0.00 33.22 33.38 1pav n MET 21 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1pav h GLU 22 N 0.00 0.04 -0.09 0.03 3.07 1.52 0.74 114.58 119.89 1pav h GLU 22 Ca 0.00 -0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.73 1pav h GLU 22 Cb 0.93 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.83 1pav h GLU 22 CO 0.00 0.03 -0.43 -0.07 -1.40 0.00 0.00 179.01 177.14 1pav h LEU 23 N 0.04 0.53 -0.73 1.33 4.07 -1.65 0.14 115.31 119.05 1pav h LEU 23 Ca 0.15 -0.64 -0.11 0.00 0.08 0.00 0.00 57.88 57.36 1pav h LEU 23 Cb 0.55 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 1pav h LEU 23 CO -0.01 1.09 -0.23 0.16 -1.08 0.00 0.00 178.44 178.38 1pav h ILE 24 N 0.01 1.27 0.00 1.22 -0.00 -1.11 -1.53 117.51 117.38 1pav h ILE 24 Ca -0.03 -1.33 0.00 0.00 -0.00 0.00 0.00 64.86 63.50 1pav h ILE 24 Cb 1.08 1.23 0.00 0.00 -0.00 0.00 0.00 36.82 39.13 1pav h ILE 24 CO 0.09 0.44 0.00 2.29 -0.00 0.00 0.00 178.15 180.97 1pav n LYS 25 N -4.11 0.17 0.00 0.16 -0.00 0.24 -3.13 118.16 111.49 1pav n LYS 25 Ca 0.00 0.22 -0.17 0.00 -0.00 0.00 0.00 58.31 58.36 1pav n LYS 25 Cb 0.43 -1.73 -0.13 0.00 -0.00 0.00 0.00 35.03 33.59 1pav n LYS 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pav h ALA 26 N 2.56 -0.04 -0.98 0.58 0.00 0.02 -3.19 119.26 118.22 1pav h ALA 26 Ca 0.00 -0.60 0.32 0.00 0.00 0.00 0.00 54.91 54.63 1pav h ALA 26 Cb 0.56 0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.25 1pav h ALA 26 CO 0.00 0.23 0.46 0.10 0.00 0.00 0.00 179.25 180.04 1pav h TYR 27 N -0.55 0.73 0.00 0.00 -0.00 -1.33 2.83 116.97 118.64 1pav h TYR 27 Ca -0.08 0.04 -0.09 0.00 0.00 0.00 0.00 58.73 58.60 1pav h TYR 27 Cb 1.35 -0.16 -0.01 0.00 0.00 0.00 0.00 36.73 37.90 1pav h TYR 27 CO 0.22 -0.25 -0.43 -0.22 -0.00 0.00 0.00 178.16 177.47 1pav h LYS 28 N 0.23 0.00 0.02 0.10 3.64 -1.67 -3.13 116.57 115.76 1pav h LYS 28 Ca 0.71 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.98 1pav h LYS 28 Cb 1.63 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.46 1pav h LYS 28 CO -0.66 0.43 -0.43 -0.56 -2.27 0.00 0.00 179.45 175.96 1pav h GLN 29 N 0.00 0.25 0.00 1.90 3.07 0.46 -3.46 115.11 117.33 1pav h GLN 29 Ca -0.00 -0.30 0.00 0.00 0.09 0.00 0.00 58.65 58.44 1pav h GLN 29 Cb 0.90 0.09 0.00 0.00 0.08 0.00 0.00 27.48 28.55 1pav h GLN 29 CO 0.06 1.04 0.00 0.00 0.09 0.00 0.00 178.83 180.01 1pav n ALA 30 N -2.58 0.00 -2.84 0.06 0.00 0.24 -5.10 120.51 110.29 1pav n ALA 30 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 1pav n ALA 30 Cb 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.00 1pav n ALA 30 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pav s LYS 31 N 1.78 0.92 0.26 0.00 1.02 -1.26 -4.87 119.74 117.59 1pav s LYS 31 Ca 0.00 -0.74 -0.30 0.00 0.02 0.00 0.00 55.97 54.95 1pav s LYS 31 Cb 0.00 0.39 -0.14 0.00 -0.52 0.00 0.00 37.83 37.56 1pav s LYS 31 CO 0.00 -0.32 1.12 1.55 -0.92 0.00 0.00 175.35 176.78 1pav n VAL 32 N 0.04 1.61 -1.03 3.17 3.14 -1.25 -0.44 118.33 123.57 1pav n VAL 32 Ca -0.16 -0.40 -0.01 0.00 -2.96 0.00 0.00 64.34 60.80 1pav n VAL 32 Cb 0.62 -1.07 -0.00 0.00 -1.06 0.00 0.00 33.84 32.33 1pav n VAL 32 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pav n GLY 33 N 1.49 0.50 3.99 7.55 0.00 77.76 -4.58 105.19 191.89 1pav n GLY 33 Ca 0.11 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 1pav n GLY 33 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pav s GLU 34 N -1.03 2.38 0.00 1.61 2.56 0.88 -4.71 118.70 120.40 1pav s GLU 34 Ca 0.00 -1.67 0.04 0.00 0.00 0.00 0.00 54.97 53.34 1pav s GLU 34 Cb 0.00 -2.51 -0.01 0.00 2.00 0.00 0.00 34.13 33.60 1pav s GLU 34 CO 0.00 -0.67 -0.11 0.14 -0.56 0.00 0.00 175.26 174.06 1pav s VAL 35 N -2.63 0.90 -0.15 3.70 -7.23 -1.25 0.56 120.40 114.30 1pav s VAL 35 Ca 0.53 -0.58 -0.10 0.00 -1.81 0.00 0.00 61.98 60.03 1pav s VAL 35 Cb -0.05 -0.77 0.05 0.00 0.56 0.00 0.00 36.38 36.17 1pav s VAL 35 CO 0.33 0.19 0.38 0.27 -0.31 0.00 0.00 175.10 175.96 1pav s ILE 36 N -0.39 -0.02 -0.13 -0.62 -4.36 0.46 -3.47 121.20 112.68 1pav s ILE 36 Ca 0.03 0.08 -0.03 0.00 -0.26 0.00 0.00 60.65 60.47 1pav s ILE 36 Cb -0.05 -0.56 -0.03 0.00 1.25 0.00 0.00 42.46 43.07 1pav s ILE 36 CO -0.00 0.03 -0.03 -0.55 0.24 0.00 0.00 174.94 174.63 1pav s SER 37 N 1.06 4.89 0.32 4.36 0.15 -1.26 0.28 113.70 123.50 1pav s SER 37 Ca -0.07 -0.05 0.09 0.00 0.70 0.00 0.00 55.95 56.62 1pav s SER 37 Cb -0.07 -1.61 -0.06 0.00 -1.71 0.00 0.00 66.02 62.56 1pav s SER 37 CO -0.09 0.25 -0.10 -0.69 1.20 0.00 0.00 173.24 173.81 1pav s VAL 38 N -0.10 2.14 0.16 4.45 1.01 3.49 0.29 120.40 131.83 1pav s VAL 38 Ca 0.03 -2.21 -0.13 0.00 0.00 0.00 0.00 61.98 59.67 1pav s VAL 38 Cb -0.13 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.69 1pav s VAL 38 CO 0.02 -0.24 0.37 -0.72 0.00 0.00 0.00 175.10 174.53 1pav s TYR 39 N -2.68 0.08 0.27 5.22 1.13 1.51 0.27 117.35 123.16 1pav s TYR 39 Ca 0.32 -0.44 -0.19 0.00 -1.41 0.00 0.00 57.07 55.34 1pav s TYR 39 Cb 0.02 0.15 0.07 0.00 -1.10 0.00 0.00 41.96 41.09 1pav s TYR 39 CO 0.15 -0.76 0.93 0.45 -2.51 0.00 0.00 175.55 173.82 1pav s SER 40 N -2.89 0.01 0.00 -0.18 0.15 73.35 0.98 113.70 185.12 1pav s SER 40 Ca 0.10 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 55.86 1pav s SER 40 Cb 0.02 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 1pav s SER 40 CO -0.05 -1.30 0.00 0.41 1.20 0.00 0.00 173.24 173.50 1pav n THR 41 N -0.63 0.00 0.24 6.45 -1.04 -0.88 1.78 114.28 120.19 1pav n THR 41 Ca -0.05 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.08 1pav n THR 41 Cb 0.60 -0.23 0.46 0.00 -1.82 0.00 0.00 70.33 69.34 1pav n THR 41 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1pav h ASP 42 N 0.00 0.00 -1.25 8.00 3.58 -1.88 -3.43 116.42 121.43 1pav h ASP 42 Ca 0.00 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.15 1pav h ASP 42 Cb 0.27 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.24 1pav h ASP 42 CO 0.00 0.00 -0.32 0.00 -2.88 0.00 0.00 179.24 176.04 1pav n ALA 43 N -1.84 -0.31 -0.09 -0.78 0.00 -1.26 -4.77 120.51 111.45 1pav n ALA 43 Ca 0.03 0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.53 1pav n ALA 43 Cb 0.78 -1.65 -0.08 0.00 0.00 0.00 0.00 19.45 18.49 1pav n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pav n GLY 44 N -1.10 -0.25 0.24 0.00 0.00 -1.25 -4.48 105.19 98.36 1pav n GLY 44 Ca -0.16 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 45.84 1pav n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pav h THR 45 N -0.08 0.81 -1.16 2.61 1.03 2.10 1.31 112.91 119.52 1pav h THR 45 Ca -0.40 -0.67 0.33 0.00 -0.01 0.00 0.00 66.41 65.66 1pav h THR 45 Cb 1.58 1.40 -0.09 0.00 -1.07 0.00 0.00 68.15 69.97 1pav h THR 45 CO -0.09 0.17 0.77 0.50 -0.01 0.00 0.00 175.52 176.86 1pav h LYS 46 N 0.00 0.22 0.12 0.00 3.64 -1.72 38.00 116.57 156.84 1pav h LYS 46 Ca -0.00 -0.01 -0.36 0.00 -1.27 0.00 0.00 60.65 59.00 1pav h LYS 46 Cb 0.38 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1pav h LYS 46 CO 0.02 0.15 -2.00 0.36 -2.27 0.00 0.00 179.45 175.71 1pav n LYS 47 N -4.53 0.75 0.04 1.90 0.00 -0.90 -4.22 118.16 111.20 1pav n LYS 47 Ca 0.29 0.26 -0.16 0.00 -0.00 0.00 0.00 58.31 58.70 1pav n LYS 47 Cb 1.12 -1.70 -0.14 0.00 -0.00 0.00 0.00 35.03 34.31 1pav n LYS 47 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1pav h ASP 48 N 0.05 0.34 -0.98 -5.58 3.32 0.90 -3.34 116.42 111.11 1pav h ASP 48 Ca -0.43 -0.51 0.25 0.00 0.02 0.00 0.00 57.03 56.36 1pav h ASP 48 Cb 2.01 -0.11 -0.18 0.00 0.22 0.00 0.00 39.33 41.27 1pav h ASP 48 CO 0.08 1.44 -0.04 0.00 -1.72 0.00 0.00 179.24 179.00 1pav n ALA 49 N -2.69 0.44 1.49 3.45 0.00 11.20 0.56 120.51 134.96 1pav n ALA 49 Ca -0.18 1.06 0.08 0.00 0.00 0.00 0.00 53.44 54.40 1pav n ALA 49 Cb 1.04 -0.74 0.47 0.00 0.00 0.00 0.00 19.45 20.22 1pav n ALA 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1pav n PRO 50 N -5.50 0.74 -0.06 0.00 -0.04 -1.24 -2.29 135.00 126.62 1pav n PRO 50 Ca 0.21 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.63 1pav n PRO 50 Cb 0.70 -1.33 -0.12 0.00 -0.04 0.00 0.00 33.50 32.71 1pav n PRO 50 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pav n ALA 51 N -0.83 1.78 0.19 0.55 0.00 2.25 -4.21 120.51 120.25 1pav n ALA 51 Ca 0.12 -0.88 -0.16 0.00 0.00 0.00 0.00 53.44 52.52 1pav n ALA 51 Cb 0.05 -0.13 -0.09 0.00 0.00 0.00 0.00 19.45 19.28 1pav n ALA 51 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1pav h TRP 52 N 0.00 -1.32 -0.98 0.00 6.55 -0.42 -0.72 115.95 119.06 1pav h TRP 52 Ca -0.34 0.02 0.18 0.00 0.95 0.00 0.00 58.89 59.70 1pav h TRP 52 Cb 1.73 0.53 -0.10 0.00 -0.86 0.00 0.00 29.16 30.46 1pav h TRP 52 CO 0.00 -0.58 0.59 0.97 -1.05 0.00 0.00 178.44 178.37 1pav h ILE 53 N -0.81 0.72 -1.11 1.49 -0.00 -1.73 0.61 117.51 116.67 1pav h ILE 53 Ca -0.04 -0.26 0.41 0.00 -0.00 0.00 0.00 64.86 64.98 1pav h ILE 53 Cb 0.74 -0.11 -0.16 0.00 -0.00 0.00 0.00 36.82 37.30 1pav h ILE 53 CO -0.14 0.14 0.65 -0.61 -0.00 0.00 0.00 178.15 178.19 1pav h GLN 54 N 0.76 0.08 0.00 2.19 4.15 -1.30 0.81 115.11 121.79 1pav h GLN 54 Ca 0.56 -0.00 -0.38 0.00 0.77 0.00 0.00 58.65 59.59 1pav h GLN 54 Cb 0.85 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.45 1pav h GLN 54 CO -0.38 0.05 -2.45 1.63 -1.93 0.00 0.00 178.83 175.76 1pav n LYS 55 N -5.04 0.64 -0.16 1.69 4.01 0.48 -4.57 118.16 115.21 1pav n LYS 55 Ca 0.37 0.14 -0.06 0.00 -0.51 0.00 0.00 58.31 58.25 1pav n LYS 55 Cb 1.30 -1.51 -0.05 0.00 -0.51 0.00 0.00 35.03 34.26 1pav n LYS 55 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 1pav h SER 56 N 0.00 -1.07 0.00 4.39 0.02 0.22 -3.46 113.55 113.65 1pav h SER 56 Ca -0.57 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1pav h SER 56 Cb 1.89 0.46 0.00 0.00 0.14 0.00 0.00 62.40 64.89 1pav h SER 56 CO -0.08 -0.16 0.00 0.61 -1.14 0.00 0.00 176.83 176.06 1pav n GLY 57 N -1.16 1.87 3.71 -3.77 0.00 0.02 -4.66 105.19 101.21 1pav n GLY 57 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1pav n GLY 57 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1pav s GLN 58 N 0.00 2.44 0.15 1.61 -2.07 -1.25 0.88 119.66 121.41 1pav s GLN 58 Ca 0.00 -1.41 -0.33 0.00 -1.82 0.00 0.00 55.36 51.80 1pav s GLN 58 Cb 0.00 -2.24 -0.13 0.00 -1.09 0.00 0.00 33.01 29.55 1pav s GLN 58 CO 0.00 0.26 1.64 0.39 -1.32 0.00 0.00 175.29 176.26 1pav n GLU 59 N -1.06 2.28 -2.49 9.60 -0.58 22.20 -4.19 120.64 146.40 1pav n GLU 59 Ca -0.05 0.83 -0.43 0.00 -0.42 0.00 0.00 57.16 57.09 1pav n GLU 59 Cb 0.60 -2.62 -0.02 0.00 -0.57 0.00 0.00 31.44 28.83 1pav n GLU 59 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1pav s LEU 60 N 1.28 4.13 0.59 -4.62 2.96 -1.26 0.25 118.68 122.00 1pav s LEU 60 Ca 0.79 1.56 0.08 0.00 -0.22 0.00 0.00 54.13 56.34 1pav s LEU 60 Cb -0.64 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 42.59 1pav s LEU 60 CO 0.38 -0.77 0.69 0.68 -1.32 0.00 0.00 176.35 176.01 1pav s VAL 61 N 3.50 1.85 -0.18 1.68 -7.23 -1.02 -1.80 120.40 117.20 1pav s VAL 61 Ca 0.52 -1.17 -0.04 0.00 -1.81 0.00 0.00 61.98 59.48 1pav s VAL 61 Cb -0.19 -2.01 0.06 0.00 0.56 0.00 0.00 36.38 34.79 1pav s VAL 61 CO 0.13 0.00 0.06 -0.83 -0.31 0.00 0.00 175.10 174.15 1pav s GLY 62 N -4.58 0.54 -0.30 2.32 0.00 -1.26 -4.77 107.32 99.27 1pav s GLY 62 Ca 0.53 -0.51 -0.02 0.00 0.00 0.00 0.00 44.72 44.72 1pav s GLY 62 CO 0.33 1.57 0.72 -1.34 0.00 0.00 0.00 173.10 174.38 1pav s VAL 63 N 1.99 -0.81 -0.06 1.40 -7.23 -1.26 -4.99 120.40 109.44 1pav s VAL 63 Ca 0.00 0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.15 1pav s VAL 63 Cb -0.17 -0.93 0.04 0.00 0.56 0.00 0.00 36.38 35.88 1pav s VAL 63 CO -0.08 0.00 0.11 -0.36 -0.31 0.00 0.00 175.10 174.45 1pav s PHE 64 N 2.88 -0.08 -0.25 2.82 0.08 -1.26 -4.19 117.98 117.97 1pav s PHE 64 Ca 0.15 0.40 -0.19 0.00 0.12 0.00 0.00 56.93 57.40 1pav s PHE 64 Cb -0.11 -0.24 0.07 0.00 -0.57 0.00 0.00 43.02 42.16 1pav s PHE 64 CO -0.21 -0.18 0.65 0.34 -0.10 0.00 0.00 175.22 175.71 1pav s ASP 65 N 1.65 -0.76 -0.88 1.36 2.15 -1.26 -5.06 116.67 113.87 1pav s ASP 65 Ca -0.03 1.35 0.00 0.00 0.43 0.00 0.00 52.55 54.30 1pav s ASP 65 Cb -0.12 1.31 0.27 0.00 -0.30 0.00 0.00 42.92 44.07 1pav s ASP 65 CO -0.05 -0.23 1.05 -2.11 -0.17 0.00 0.00 175.17 173.67 1pav n ARG 66 N 3.40 3.34 -0.01 4.34 0.00 -1.26 -3.65 116.66 122.82 1pav n ARG 66 Ca -0.17 -4.58 0.02 0.00 -0.00 0.00 0.00 57.85 53.12 1pav n ARG 66 Cb 0.57 -2.40 -0.05 0.00 -0.00 0.00 0.00 32.46 30.58 1pav n ARG 66 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1pav n ASN 67 N 1.38 3.48 0.00 2.89 5.15 -1.26 -4.94 115.26 121.95 1pav n ASN 67 Ca 0.27 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.25 1pav n ASN 67 Cb 0.37 1.21 0.00 0.00 -0.53 0.00 0.00 39.78 40.83 1pav n ASN 67 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pav n GLY 68 N 2.20 -0.11 3.58 8.20 0.00 -1.26 -5.12 105.19 112.67 1pav n GLY 68 Ca -0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 1pav n GLY 68 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pav s TYR 69 N -1.45 -1.20 0.39 1.61 1.13 -1.23 -4.66 117.35 111.94 1pav s TYR 69 Ca 0.00 2.06 -0.24 0.00 -1.41 0.00 0.00 57.07 57.48 1pav s TYR 69 Cb 0.00 0.71 -0.10 0.00 -1.10 0.00 0.00 41.96 41.47 1pav s TYR 69 CO 0.00 -0.60 0.99 1.52 -2.51 0.00 0.00 175.55 174.95 1pav s TYR 70 N 2.80 3.41 0.21 -3.49 -0.85 23.49 -4.22 117.35 138.69 1pav s TYR 70 Ca -0.05 1.68 -0.10 0.00 -0.52 0.00 0.00 57.07 58.08 1pav s TYR 70 Cb -0.11 -2.99 -0.01 0.00 0.38 0.00 0.00 41.96 39.24 1pav s TYR 70 CO -0.19 -0.23 0.37 -1.83 -1.52 0.00 0.00 175.55 172.15 1pav s GLU 71 N -2.55 1.36 0.05 -3.49 -1.05 -1.25 2.86 118.70 114.63 1pav s GLU 71 Ca 0.57 -1.25 -0.05 0.00 -0.15 0.00 0.00 54.97 54.09 1pav s GLU 71 Cb -0.17 0.42 -0.01 0.00 -0.44 0.00 0.00 34.13 33.92 1pav s GLU 71 CO 0.22 -0.53 0.09 0.42 0.95 0.00 0.00 175.26 176.41 1pav s ILE 72 N -4.01 0.15 0.21 1.83 -1.09 0.77 -4.28 121.20 114.78 1pav s ILE 72 Ca 0.22 -1.25 0.10 0.00 -2.23 0.00 0.00 60.65 57.49 1pav s ILE 72 Cb 0.02 -1.10 -0.04 0.00 -1.58 0.00 0.00 42.46 39.75 1pav s ILE 72 CO 0.06 -0.69 -0.11 0.68 -1.23 0.00 0.00 174.94 173.64 1pav s VAL 73 N -3.11 3.02 -0.15 2.92 -7.23 -1.26 0.72 120.40 115.31 1pav s VAL 73 Ca -0.01 -1.86 -0.07 0.00 -1.81 0.00 0.00 61.98 58.23 1pav s VAL 73 Cb 0.02 -2.52 0.06 0.00 0.56 0.00 0.00 36.38 34.49 1pav s VAL 73 CO -0.07 -0.20 0.34 -0.04 -0.31 0.00 0.00 175.10 174.82 1pav s MET 74 N -3.04 0.29 -0.57 4.82 1.00 0.79 -2.44 119.30 120.16 1pav s MET 74 Ca 0.26 0.72 -0.17 0.00 0.00 0.00 0.00 55.69 56.50 1pav s MET 74 Cb -0.08 -0.02 0.12 0.00 0.00 0.00 0.00 34.83 34.85 1pav s MET 74 CO 0.15 -0.18 0.59 0.21 0.00 0.00 0.00 175.02 175.79 1pav s LYS 75 N 1.59 3.02 -0.49 2.03 2.20 0.70 0.17 119.74 128.95 1pav s LYS 75 Ca -0.08 -1.54 -0.45 0.00 -0.36 0.00 0.00 55.97 53.54 1pav s LYS 75 Cb -0.10 -4.29 -0.19 0.00 -1.51 0.00 0.00 37.83 31.74 1pav s LYS 75 CO -0.11 -1.43 1.94 1.63 -0.36 0.00 0.00 175.35 177.02 1pav n LYS 76 N 5.73 0.03 -0.49 4.03 4.76 2.29 1.74 118.16 136.25 1pav n LYS 76 Ca -0.12 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 1pav n LYS 76 Cb 0.41 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 1pav n LYS 76 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1pav n VAL 77 N 5.56 0.00 0.00 -0.18 0.31 1.23 2.93 118.33 128.18 1pav n VAL 77 Ca 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.79 1pav n VAL 77 Cb -0.04 0.44 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 1pav n VAL 77 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80