#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 2.13 0.00 6.12 2.03 -1.26 -4.56 116.55 121.01 1pav n ASP 2 Ca 0.00 -2.09 0.00 0.00 0.52 0.00 0.00 54.79 53.22 1pav n ASP 2 Cb 0.00 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 1pav n ASP 2 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1pav n VAL 3 N 0.47 0.00 -0.69 5.18 3.14 -1.26 -3.08 118.33 122.08 1pav n VAL 3 Ca 0.12 0.00 0.08 0.00 -2.96 0.00 0.00 64.34 61.58 1pav n VAL 3 Cb 0.37 0.00 0.38 0.00 -1.06 0.00 0.00 33.84 33.53 1pav n VAL 3 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1pav n LYS 4 N 0.00 4.15 -2.52 1.45 3.00 -1.26 -4.96 118.16 118.02 1pav n LYS 4 Ca 0.00 -2.96 -0.38 0.00 -0.00 0.00 0.00 58.31 54.97 1pav n LYS 4 Cb 0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 35.03 32.96 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 -2.17 4.38 -0.34 1.64 0.04 -1.18 -4.94 135.00 132.43 1pav s PRO 5 Ca 0.52 1.64 -0.03 0.00 0.04 0.00 0.00 61.00 63.17 1pav s PRO 5 Cb 0.36 -2.83 0.06 0.00 0.04 0.00 0.00 34.50 32.13 1pav s PRO 5 CO 0.22 0.02 0.08 0.34 0.04 0.00 0.00 177.00 177.70 1pav s ASP 6 N -1.27 5.10 0.37 6.66 2.15 -0.98 -3.98 116.67 124.73 1pav s ASP 6 Ca 0.52 -1.45 -0.14 0.00 0.43 0.00 0.00 52.55 51.91 1pav s ASP 6 Cb -0.26 -1.79 0.04 0.00 -0.30 0.00 0.00 42.92 40.62 1pav s ASP 6 CO 0.33 -0.36 0.74 -0.60 -0.17 0.00 0.00 175.17 175.12 1pav s ARG 7 N 1.26 2.16 -0.34 4.34 3.52 -1.26 -4.78 118.95 123.85 1pav s ARG 7 Ca -0.01 -1.45 -0.02 0.00 -0.13 0.00 0.00 55.73 54.12 1pav s ARG 7 Cb -0.21 0.60 0.07 0.00 -1.56 0.00 0.00 34.95 33.86 1pav s ARG 7 CO -0.01 -0.99 0.08 0.08 -0.81 0.00 0.00 175.30 173.65 1pav s VAL 8 N -2.54 3.09 -0.22 7.11 1.01 -1.26 -4.23 120.40 123.35 1pav s VAL 8 Ca 0.17 -1.68 -0.03 0.00 0.00 0.00 0.00 61.98 60.44 1pav s VAL 8 Cb -0.04 -2.93 0.11 0.00 0.00 0.00 0.00 36.38 33.52 1pav s VAL 8 CO 0.12 -0.35 0.29 -0.51 0.00 0.00 0.00 175.10 174.65 1pav s ILE 9 N 1.20 -0.45 -0.17 2.22 2.07 -0.44 -4.98 121.20 120.64 1pav s ILE 9 Ca 0.01 -0.09 -0.12 0.00 -1.41 0.00 0.00 60.65 59.04 1pav s ILE 9 Cb -0.21 -0.74 0.05 0.00 0.13 0.00 0.00 42.46 41.70 1pav s ILE 9 CO -0.02 -0.17 0.43 1.51 -1.91 0.00 0.00 174.94 174.78 1pav s ASP 10 N 2.43 -0.52 -0.10 4.50 -4.77 -1.24 0.35 116.67 117.32 1pav s ASP 10 Ca 0.10 0.92 -0.01 0.00 -3.30 0.00 0.00 52.55 50.26 1pav s ASP 10 Cb -0.16 0.85 0.03 0.00 -1.09 0.00 0.00 42.92 42.55 1pav s ASP 10 CO -0.14 -0.18 -0.04 0.00 0.70 0.00 0.00 175.17 175.51 1pav s ALA 11 N 0.99 1.07 -0.46 2.11 0.00 9.97 -4.74 121.76 130.71 1pav s ALA 11 Ca -0.06 -0.39 -0.10 0.00 0.00 0.00 0.00 51.96 51.41 1pav s ALA 11 Cb -0.06 -0.86 0.10 0.00 0.00 0.00 0.00 23.12 22.30 1pav s ALA 11 CO -0.08 -0.47 0.33 1.03 0.00 0.00 0.00 175.76 176.57 1pav s ARG 12 N 1.82 2.59 0.00 0.00 3.00 -1.26 -1.04 118.95 124.06 1pav s ARG 12 Ca 0.05 -1.63 0.00 0.00 0.00 0.00 0.00 55.73 54.15 1pav s ARG 12 Cb -0.13 -3.92 0.00 0.00 0.00 0.00 0.00 34.95 30.91 1pav s ARG 12 CO -0.07 -1.11 0.00 0.41 0.00 0.00 0.00 175.30 174.53 1pav n GLY 13 N 4.96 0.42 0.53 -3.53 0.00 -1.26 -4.76 105.19 101.54 1pav n GLY 13 Ca -0.09 -0.99 0.11 0.00 0.00 0.00 0.00 46.02 45.05 1pav n GLY 13 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pav n SER 14 N 1.91 1.62 0.00 1.61 2.88 -1.26 -4.49 113.62 115.89 1pav n SER 14 Ca 0.00 -1.66 0.00 0.00 -1.33 0.00 0.00 58.87 55.88 1pav n SER 14 Cb 0.14 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1pav n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pav n TYR 15 N 0.28 -0.11 0.00 0.66 0.18 -1.26 3.81 117.16 120.72 1pav n TYR 15 Ca 0.17 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.95 1pav n TYR 15 Cb 0.33 0.10 0.00 0.00 -0.38 0.00 0.00 39.34 39.39 1pav n TYR 15 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1pav s PRO 17 N 0.00 2.79 0.00 0.00 0.04 0.60 0.24 135.00 138.66 1pav s PRO 17 Ca 0.00 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1pav s PRO 17 Cb 0.00 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1pav s PRO 17 CO 0.00 -1.19 0.00 0.41 0.04 0.00 0.00 177.00 176.26 1pav n GLY 18 N -2.02 0.00 0.00 0.56 0.00150.65 0.79 105.19 255.17 1pav n GLY 18 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1pav n GLY 18 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pav n PRO 19 N -1.12 0.32 -0.30 1.61 -0.04 -0.68 -3.46 135.00 131.34 1pav n PRO 19 Ca 0.00 0.07 0.35 0.00 -0.04 0.00 0.00 63.50 63.88 1pav n PRO 19 Cb 0.00 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 32.68 1pav n PRO 19 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1pav h LEU 20 N 0.00 0.00 0.00 1.53 6.46 3.03 2.52 115.31 128.85 1pav h LEU 20 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1pav h LEU 20 Cb 0.21 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.14 1pav h LEU 20 CO 0.00 0.00 -1.32 0.23 -0.62 0.00 0.00 178.44 176.73 1pav n MET 21 N -3.94 0.37 -0.34 1.25 2.81 -1.22 -3.26 117.12 112.78 1pav n MET 21 Ca 0.25 -0.05 0.21 0.00 -1.81 0.00 0.00 57.70 56.30 1pav n MET 21 Cb 1.31 -1.57 0.44 0.00 -0.71 0.00 0.00 33.22 32.69 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 0.45 0.08 0.03 3.07 0.42 0.73 114.58 119.36 1pav h GLU 22 Ca 0.00 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1pav h GLU 22 Cb 0.79 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 1pav h GLU 22 CO 0.00 0.30 -0.04 -0.07 -1.40 0.00 0.00 179.01 177.80 1pav h LEU 23 N 0.47 -0.09 -1.30 1.33 3.38 -1.73 1.34 115.31 118.71 1pav h LEU 23 Ca 0.66 -0.51 0.21 0.00 0.09 0.00 0.00 57.88 58.33 1pav h LEU 23 Cb 1.44 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 42.13 1pav h LEU 23 CO -0.46 0.52 0.62 0.16 0.09 0.00 0.00 178.44 179.38 1pav h ILE 24 N -0.78 0.66 0.00 1.22 -0.00 -1.08 4.13 117.51 121.67 1pav h ILE 24 Ca -0.01 -0.19 0.00 0.00 -0.00 0.00 0.00 64.86 64.66 1pav h ILE 24 Cb 0.59 0.07 0.00 0.00 -0.00 0.00 0.00 36.82 37.49 1pav h ILE 24 CO 0.02 0.10 -0.87 2.29 -0.00 0.00 0.00 178.15 179.68 1pav n LYS 25 N -4.62 0.21 -0.01 0.16 -0.00 0.23 -4.09 118.16 110.04 1pav n LYS 25 Ca 0.22 0.01 -0.22 0.00 -0.00 0.00 0.00 58.31 58.32 1pav n LYS 25 Cb 0.69 -1.58 -0.13 0.00 -0.00 0.00 0.00 35.03 34.00 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 2.66 0.30 -1.29 0.58 0.00 0.93 -3.35 119.26 119.09 1pav h ALA 26 Ca 0.00 -1.24 0.41 0.00 0.00 0.00 0.00 54.91 54.07 1pav h ALA 26 Cb 0.67 0.63 -0.12 0.00 0.00 0.00 0.00 17.79 18.97 1pav h ALA 26 CO 0.00 1.01 0.84 0.10 0.00 0.00 0.00 179.25 181.20 1pav h TYR 27 N -0.27 0.50 0.00 0.00 -0.00 0.73 4.18 116.97 122.11 1pav h TYR 27 Ca -0.37 0.02 -0.01 0.00 0.00 0.00 0.00 58.73 58.37 1pav h TYR 27 Cb 1.80 -0.13 -0.00 0.00 0.00 0.00 0.00 36.73 38.40 1pav h TYR 27 CO 0.10 -0.14 -0.06 0.87 -0.00 0.00 0.00 178.16 178.93 1pav h LYS 28 N 0.13 0.00 -0.09 0.10 1.57 -1.75 -2.56 116.57 113.97 1pav h LYS 28 Ca 0.77 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.48 1pav h LYS 28 Cb 2.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.72 1pav h LYS 28 CO -0.36 0.06 -0.22 0.37 -0.57 0.00 0.00 179.45 178.73 1pav h GLN 29 N 0.00 0.31 0.00 3.15 -0.00 0.79 -3.45 115.11 115.91 1pav h GLN 29 Ca -0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 58.65 58.44 1pav h GLN 29 Cb 0.36 0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.87 1pav h GLN 29 CO 0.01 0.81 0.00 0.00 0.00 0.00 0.00 178.83 179.65 1pav n ALA 30 N -2.46 0.00 -2.95 3.38 0.00 -0.97 -5.14 120.51 112.37 1pav n ALA 30 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 1pav n ALA 30 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 1pav n ALA 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1pav s LYS 31 N 1.59 1.26 0.23 0.00 0.00 -1.26 -4.97 119.74 116.60 1pav s LYS 31 Ca 0.00 -1.08 -0.31 0.00 0.00 0.00 0.00 55.97 54.58 1pav s LYS 31 Cb 0.00 0.43 -0.14 0.00 0.00 0.00 0.00 37.83 38.12 1pav s LYS 31 CO 0.00 -0.50 1.27 0.28 0.00 0.00 0.00 175.35 176.40 1pav n VAL 32 N -0.27 1.12 -0.86 1.79 0.31 -1.15 -0.30 118.33 118.97 1pav n VAL 32 Ca -0.08 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1pav n VAL 32 Cb 0.63 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 1pav n VAL 32 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pav n GLY 33 N 1.91 0.68 3.98 2.92 0.00 61.14 -4.55 105.19 171.27 1pav n GLY 33 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.14 2.39 0.02 1.61 2.12 1.94 -4.70 118.70 121.93 1pav s GLU 34 Ca 0.00 -1.67 -0.01 0.00 0.36 0.00 0.00 54.97 53.65 1pav s GLU 34 Cb 0.00 -2.50 -0.02 0.00 0.26 0.00 0.00 34.13 31.87 1pav s GLU 34 CO 0.00 -0.66 -0.00 0.14 -0.54 0.00 0.00 175.26 174.20 1pav s VAL 35 N -2.63 0.10 -0.14 3.70 -7.23 -1.25 1.04 120.40 113.99 1pav s VAL 35 Ca 0.53 -0.83 -0.12 0.00 -1.81 0.00 0.00 61.98 59.75 1pav s VAL 35 Cb -0.05 -0.27 0.04 0.00 0.56 0.00 0.00 36.38 36.66 1pav s VAL 35 CO 0.33 -0.46 0.38 0.27 -0.31 0.00 0.00 175.10 175.31 1pav s ILE 36 N -1.37 -0.00 -0.14 -0.62 -5.25 -0.11 -2.31 121.20 111.40 1pav s ILE 36 Ca -0.15 0.02 -0.05 0.00 -0.99 0.00 0.00 60.65 59.48 1pav s ILE 36 Cb -0.09 -0.53 -0.04 0.00 2.95 0.00 0.00 42.46 44.75 1pav s ILE 36 CO -0.01 0.01 0.04 -0.55 -1.79 0.00 0.00 174.94 172.64 1pav s SER 37 N 0.38 5.53 0.37 4.36 0.15 -1.26 -0.90 113.70 122.34 1pav s SER 37 Ca -0.01 0.14 0.08 0.00 0.70 0.00 0.00 55.95 56.85 1pav s SER 37 Cb -0.04 -1.81 -0.07 0.00 -1.71 0.00 0.00 66.02 62.40 1pav s SER 37 CO -0.01 0.27 -0.03 0.54 1.20 0.00 0.00 173.24 175.21 1pav s VAL 38 N -0.23 2.00 0.16 4.45 0.11 1.07 -1.33 120.40 126.63 1pav s VAL 38 Ca 0.07 -2.08 -0.13 0.00 -2.93 0.00 0.00 61.98 56.91 1pav s VAL 38 Cb -0.12 -2.83 0.01 0.00 -1.53 0.00 0.00 36.38 31.91 1pav s VAL 38 CO 0.02 -0.09 0.37 -0.72 -3.33 0.00 0.00 175.10 171.35 1pav s TYR 39 N -2.74 0.08 0.25 1.54 1.13 1.07 -0.59 117.35 118.09 1pav s TYR 39 Ca 0.34 -0.44 -0.20 0.00 -1.41 0.00 0.00 57.07 55.36 1pav s TYR 39 Cb 0.07 0.15 0.07 0.00 -1.10 0.00 0.00 41.96 41.15 1pav s TYR 39 CO 0.17 -0.75 0.97 0.45 -2.51 0.00 0.00 175.55 173.88 1pav s SER 40 N -2.89 0.03 0.00 -0.18 0.15 77.43 1.21 113.70 189.45 1pav s SER 40 Ca 0.10 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 55.90 1pav s SER 40 Cb 0.02 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 1pav s SER 40 CO -0.05 -1.22 0.00 0.41 1.20 0.00 0.00 173.24 173.58 1pav n THR 41 N -0.68 0.00 -0.01 6.45 -1.04 -0.21 1.83 114.28 120.62 1pav n THR 41 Ca -0.04 0.00 0.20 0.00 -2.04 0.00 0.00 64.05 62.17 1pav n THR 41 Cb 0.59 -0.13 0.69 0.00 -1.82 0.00 0.00 70.33 69.66 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 0.01 -0.43 8.00 3.58 -1.86 -3.43 116.42 122.29 1pav h ASP 42 Ca 0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 1pav h ASP 42 Cb 0.16 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 1pav h ASP 42 CO 0.00 0.00 -0.11 0.00 -2.88 0.00 0.00 179.24 176.25 1pav n ALA 43 N -2.64 -0.11 -0.11 -0.78 0.00 -1.26 -4.80 120.51 110.80 1pav n ALA 43 Ca 0.10 0.07 -0.16 0.00 0.00 0.00 0.00 53.44 53.45 1pav n ALA 43 Cb 0.62 -0.90 -0.11 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.87 -0.32 0.27 0.00 0.00 -1.24 -4.45 105.19 97.58 1pav n GLY 44 Ca -0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.01 1.22 -1.36 2.61 1.03 1.67 1.77 112.91 119.83 1pav h THR 45 Ca -0.51 -0.90 0.41 0.00 -0.01 0.00 0.00 66.41 65.40 1pav h THR 45 Cb 1.79 0.98 -0.09 0.00 -1.07 0.00 0.00 68.15 69.76 1pav h THR 45 CO -0.08 0.30 0.93 0.11 -0.01 0.00 0.00 175.52 176.77 1pav h LYS 46 N 0.54 0.10 0.02 0.00 1.57 -1.74 49.37 116.57 166.42 1pav h LYS 46 Ca 0.11 -0.01 -0.27 0.00 -1.87 0.00 0.00 60.65 58.62 1pav h LYS 46 Cb 0.40 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1pav h LYS 46 CO 0.02 0.07 -1.46 0.36 -0.57 0.00 0.00 179.45 177.87 1pav n LYS 47 N -4.39 0.59 0.05 3.15 0.00 -0.87 -4.30 118.16 112.40 1pav n LYS 47 Ca 0.33 0.51 -0.03 0.00 -0.00 0.00 0.00 58.31 59.13 1pav n LYS 47 Cb 1.40 -1.72 -0.08 0.00 -0.00 0.00 0.00 35.03 34.62 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 -0.86 0.00 -0.92 -5.58 3.32 0.59 -3.33 116.42 109.65 1pav h ASP 48 Ca -0.39 0.00 0.26 0.00 0.02 0.00 0.00 57.03 56.93 1pav h ASP 48 Cb 1.43 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.82 1pav h ASP 48 CO -0.19 0.75 0.20 0.00 -1.72 0.00 0.00 179.24 178.28 1pav h ALA 49 N 1.25 1.33 0.00 3.45 0.00 12.53 4.56 119.26 142.38 1pav h ALA 49 Ca -0.12 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1pav h ALA 49 Cb 1.68 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1pav h ALA 49 CO 0.08 -0.55 0.00 -0.35 0.00 0.00 0.00 179.25 178.43 1pav n PRO 50 N -5.31 0.75 -0.11 0.00 -0.04 -1.22 -2.59 135.00 126.48 1pav n PRO 50 Ca 0.23 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.56 1pav n PRO 50 Cb 0.77 -1.44 -0.12 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.94 1.51 -0.02 0.55 0.00 1.48 -4.18 120.51 118.91 1pav n ALA 51 Ca 0.16 -1.10 -0.03 0.00 0.00 0.00 0.00 53.44 52.47 1pav n ALA 51 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.33 -0.98 0.00 6.55 -0.68 0.24 115.95 120.74 1pav h TRP 52 Ca -0.52 0.01 0.31 0.00 0.95 0.00 0.00 58.89 59.64 1pav h TRP 52 Cb 1.95 0.15 -0.15 0.00 -0.86 0.00 0.00 29.16 30.25 1pav h TRP 52 CO 0.02 -0.10 0.49 0.97 -1.05 0.00 0.00 178.44 178.77 1pav h ILE 53 N -0.09 0.29 -1.08 1.49 -0.00 -1.81 1.05 117.51 117.35 1pav h ILE 53 Ca 0.01 -0.10 0.36 0.00 -0.00 0.00 0.00 64.86 65.13 1pav h ILE 53 Cb 0.13 -0.02 -0.14 0.00 -0.00 0.00 0.00 36.82 36.78 1pav h ILE 53 CO -0.11 0.05 0.64 -0.61 -0.00 0.00 0.00 178.15 178.13 1pav h GLN 54 N 0.29 0.22 0.00 2.19 4.15 -0.70 0.79 115.11 122.05 1pav h GLN 54 Ca 0.70 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 60.05 1pav h GLN 54 Cb 1.57 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.20 1pav h GLN 54 CO -0.63 0.15 -2.04 0.36 -1.93 0.00 0.00 178.83 174.74 1pav n LYS 55 N -4.95 0.66 0.41 1.69 0.00 0.31 -4.50 118.16 111.79 1pav n LYS 55 Ca 0.33 -0.17 -0.16 0.00 -0.00 0.00 0.00 58.31 58.31 1pav n LYS 55 Cb 1.13 -1.51 -0.08 0.00 -0.00 0.00 0.00 35.03 34.57 1pav n LYS 55 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1pav h SER 56 N 0.00 -0.90 0.00 -5.58 0.02 0.51 -3.48 113.55 104.12 1pav h SER 56 Ca -0.08 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1pav h SER 56 Cb 1.17 0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.94 1pav h SER 56 CO 0.00 -0.60 0.00 0.61 -1.14 0.00 0.00 176.83 175.70 1pav n GLY 57 N -1.27 1.89 3.68 -3.77 0.00 0.75 -4.76 105.19 101.72 1pav n GLY 57 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 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 2.38 0.21 1.61 0.00 -1.24 0.83 119.66 123.45 1pav s GLN 58 Ca 0.00 -1.39 -0.32 0.00 -0.00 0.00 0.00 55.36 53.65 1pav s GLN 58 Cb 0.00 -2.21 -0.13 0.00 0.00 0.00 0.00 33.01 30.67 1pav s GLN 58 CO 0.00 0.33 1.54 0.39 0.00 0.00 0.00 175.29 177.56 1pav n GLU 59 N -0.97 2.28 -2.43 9.60 -0.58 14.50 -4.11 120.64 138.93 1pav n GLU 59 Ca -0.06 0.82 -0.43 0.00 -0.42 0.00 0.00 57.16 57.07 1pav n GLU 59 Cb 0.59 -2.56 -0.02 0.00 -0.57 0.00 0.00 31.44 28.88 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 0.45 3.59 0.00 -4.62 2.96 -1.26 0.28 118.68 120.08 1pav s LEU 60 Ca 0.72 0.70 0.06 0.00 -0.22 0.00 0.00 54.13 55.39 1pav s LEU 60 Cb -0.62 -3.53 0.12 0.00 0.50 0.00 0.00 46.19 42.66 1pav s LEU 60 CO 0.43 -1.39 0.91 1.33 -1.32 0.00 0.00 176.35 176.30 1pav n VAL 61 N 7.02 0.00 -3.75 1.68 0.24 -0.09 0.60 118.33 124.03 1pav n VAL 61 Ca 0.15 -1.83 -0.27 0.00 -2.04 0.00 0.00 64.34 60.35 1pav n VAL 61 Cb 0.48 -0.66 -0.17 0.00 -1.47 0.00 0.00 33.84 32.02 1pav n VAL 61 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1pav s GLY 62 N -4.90 0.71 -0.30 7.63 0.00 -1.26 -4.58 107.32 104.63 1pav s GLY 62 Ca 0.65 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.70 1pav s GLY 62 CO 0.42 1.37 0.68 0.14 0.00 0.00 0.00 173.10 175.70 1pav s VAL 63 N 1.85 -0.87 -0.06 1.40 1.01 -1.26 -4.97 120.40 117.49 1pav s VAL 63 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 1pav s VAL 63 Cb -0.17 -0.93 0.04 0.00 0.00 0.00 0.00 36.38 35.32 1pav s VAL 63 CO -0.08 0.00 0.12 -0.36 0.00 0.00 0.00 175.10 174.79 1pav s PHE 64 N 2.86 -0.10 -0.25 5.22 0.08 -1.26 -4.18 117.98 120.35 1pav s PHE 64 Ca 0.15 0.46 -0.16 0.00 0.12 0.00 0.00 56.93 57.50 1pav s PHE 64 Cb -0.11 -0.29 0.07 0.00 -0.57 0.00 0.00 43.02 42.12 1pav s PHE 64 CO -0.23 -0.22 0.63 -0.51 -0.10 0.00 0.00 175.22 174.79 1pav s ASP 65 N 2.01 -0.81 -0.88 1.36 1.01 -1.26 -5.07 116.67 113.03 1pav s ASP 65 Ca 0.01 1.36 0.00 0.00 0.71 0.00 0.00 52.55 54.63 1pav s ASP 65 Cb -0.12 1.26 0.27 0.00 1.01 0.00 0.00 42.92 45.34 1pav s ASP 65 CO -0.05 -0.23 1.05 -2.11 0.21 0.00 0.00 175.17 174.05 1pav n ARG 66 N 3.97 3.35 -0.00 8.23 0.00 -1.26 -3.67 116.66 127.27 1pav n ARG 66 Ca -0.19 -4.59 0.02 0.00 -0.00 0.00 0.00 57.85 53.09 1pav n ARG 66 Cb 0.58 -2.40 -0.04 0.00 -0.00 0.00 0.00 32.46 30.61 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 1.36 3.29 0.00 2.89 2.85 -1.26 -4.94 115.26 119.45 1pav n ASN 67 Ca 0.27 -0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 1pav n ASN 67 Cb 0.37 1.18 0.00 0.00 1.24 0.00 0.00 39.78 42.57 1pav n ASN 67 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1pav n GLY 68 N 2.04 -0.27 3.62 8.20 0.00 -1.26 -5.12 105.19 112.40 1pav n GLY 68 Ca -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 1pav n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pav s TYR 69 N -1.66 -1.33 0.35 1.61 1.51 -1.16 -4.59 117.35 112.08 1pav s TYR 69 Ca 0.00 2.29 -0.23 0.00 -1.01 0.00 0.00 57.07 58.12 1pav s TYR 69 Cb 0.00 0.78 -0.10 0.00 -0.11 0.00 0.00 41.96 42.53 1pav s TYR 69 CO 0.00 -0.67 0.92 1.52 -1.11 0.00 0.00 175.55 176.21 1pav s TYR 70 N 2.89 3.53 0.30 2.71 -0.85 24.93 -3.97 117.35 146.88 1pav s TYR 70 Ca -0.05 1.66 -0.07 0.00 -0.52 0.00 0.00 57.07 58.09 1pav s TYR 70 Cb -0.12 -2.85 -0.00 0.00 0.38 0.00 0.00 41.96 39.37 1pav s TYR 70 CO -0.19 0.10 0.46 -1.83 -1.52 0.00 0.00 175.55 172.57 1pav s GLU 71 N -2.51 1.72 0.05 -3.49 -1.05 -1.22 2.92 118.70 115.14 1pav s GLU 71 Ca 0.54 -1.53 -0.05 0.00 -0.15 0.00 0.00 54.97 53.78 1pav s GLU 71 Cb -0.14 0.45 -0.02 0.00 -0.44 0.00 0.00 34.13 33.98 1pav s GLU 71 CO 0.19 -0.71 0.08 0.42 0.95 0.00 0.00 175.26 176.19 1pav s ILE 72 N -3.49 0.16 0.01 1.83 -1.09 0.25 -4.32 121.20 114.55 1pav s ILE 72 Ca 0.27 -1.31 0.07 0.00 -2.23 0.00 0.00 60.65 57.45 1pav s ILE 72 Cb -0.00 -1.17 -0.02 0.00 -1.58 0.00 0.00 42.46 39.68 1pav s ILE 72 CO 0.15 -0.72 -0.21 0.68 -1.23 0.00 0.00 174.94 173.60 1pav s VAL 73 N -3.28 1.71 -0.08 2.92 -7.23 -1.25 0.35 120.40 113.53 1pav s VAL 73 Ca 0.01 -1.06 -0.03 0.00 -1.81 0.00 0.00 61.98 59.08 1pav s VAL 73 Cb 0.03 -1.45 0.04 0.00 0.56 0.00 0.00 36.38 35.56 1pav s VAL 73 CO -0.08 0.35 0.16 0.00 -0.31 0.00 0.00 175.10 175.23 1pav s MET 74 N -0.83 0.08 -0.70 4.82 0.23 -0.08 -0.91 119.30 121.91 1pav s MET 74 Ca 0.08 0.47 -0.25 0.00 -1.03 0.00 0.00 55.69 54.96 1pav s MET 74 Cb -0.09 -0.20 0.05 0.00 -1.53 0.00 0.00 34.83 33.06 1pav s MET 74 CO 0.00 -0.22 1.12 0.21 -2.03 0.00 0.00 175.02 174.10 1pav s LYS 75 N 1.64 3.16 -0.44 3.16 2.20 0.81 -0.93 119.74 129.33 1pav s LYS 75 Ca -0.04 -0.53 -0.41 0.00 -0.36 0.00 0.00 55.97 54.63 1pav s LYS 75 Cb -0.12 -4.20 -0.16 0.00 -1.51 0.00 0.00 37.83 31.84 1pav s LYS 75 CO -0.06 -1.97 2.13 1.63 -0.36 0.00 0.00 175.35 176.72 1pav n LYS 76 N 8.51 0.38 -1.45 4.03 4.76 7.24 1.44 118.16 143.07 1pav n LYS 76 Ca -0.00 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1pav n LYS 76 Cb 0.47 -1.83 -0.00 0.00 -1.84 0.00 0.00 35.03 31.83 1pav n LYS 76 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1pav n VAL 77 N 6.63 0.07 0.00 -0.18 0.24 1.77 2.66 118.33 129.51 1pav n VAL 77 Ca 0.49 -0.79 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 1pav n VAL 77 Cb 0.05 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.28 1pav n VAL 77 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98