#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 0.00 0.00 6.12 -0.08 -1.26 -3.55 116.55 117.78 1pav n ASP 2 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1pav n ASP 2 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1pav n ASP 2 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1pav n VAL 3 N 0.64 0.00 -0.75 5.18 3.14 -1.26 -3.24 118.33 122.04 1pav n VAL 3 Ca 0.00 0.00 0.08 0.00 -2.96 0.00 0.00 64.34 61.46 1pav n VAL 3 Cb 0.00 0.00 0.39 0.00 -1.06 0.00 0.00 33.84 33.17 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 4.31 -2.52 1.45 4.81 -1.23 -4.96 118.16 120.02 1pav n LYS 4 Ca 0.00 -3.02 -0.39 0.00 -0.87 0.00 0.00 58.31 54.03 1pav n LYS 4 Cb 0.00 -2.08 -0.04 0.00 0.02 0.00 0.00 35.03 32.93 1pav n LYS 4 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1pav s PRO 5 N -2.28 4.43 -0.33 1.64 0.04 -1.20 -4.91 135.00 132.40 1pav s PRO 5 Ca 0.53 1.66 -0.02 0.00 0.04 0.00 0.00 61.00 63.21 1pav s PRO 5 Cb 0.37 -2.90 0.06 0.00 0.04 0.00 0.00 34.50 32.08 1pav s PRO 5 CO 0.21 0.06 0.05 0.16 0.04 0.00 0.00 177.00 177.52 1pav s ASP 6 N -1.20 4.97 0.37 6.66 1.47 -0.87 -4.02 116.67 124.06 1pav s ASP 6 Ca 0.50 -1.47 -0.14 0.00 1.18 0.00 0.00 52.55 52.62 1pav s ASP 6 Cb -0.27 -1.74 0.04 0.00 -0.34 0.00 0.00 42.92 40.61 1pav s ASP 6 CO 0.35 -0.33 0.73 -0.60 0.68 0.00 0.00 175.17 176.00 1pav s ARG 7 N 1.21 2.14 -0.35 2.11 3.52 -1.26 -4.80 118.95 121.53 1pav s ARG 7 Ca -0.01 -1.45 -0.03 0.00 -0.13 0.00 0.00 55.73 54.11 1pav s ARG 7 Cb -0.20 0.60 0.07 0.00 -1.56 0.00 0.00 34.95 33.86 1pav s ARG 7 CO -0.02 -0.99 0.10 0.14 -0.81 0.00 0.00 175.30 173.72 1pav s VAL 8 N -2.58 3.20 -0.22 7.11 -7.23 -1.26 -4.24 120.40 115.17 1pav s VAL 8 Ca 0.17 -1.64 -0.03 0.00 -1.81 0.00 0.00 61.98 58.67 1pav s VAL 8 Cb -0.04 -2.99 0.11 0.00 0.56 0.00 0.00 36.38 34.02 1pav s VAL 8 CO 0.12 -0.36 0.29 -0.63 -0.31 0.00 0.00 175.10 174.21 1pav s ILE 9 N 1.22 -0.44 -0.17 -0.62 1.09 -0.48 -4.98 121.20 116.82 1pav s ILE 9 Ca 0.01 -0.10 -0.12 0.00 -1.10 0.00 0.00 60.65 59.35 1pav s ILE 9 Cb -0.21 -0.73 0.05 0.00 -1.06 0.00 0.00 42.46 40.51 1pav s ILE 9 CO -0.02 -0.17 0.43 1.51 -0.10 0.00 0.00 174.94 176.59 1pav s ASP 10 N 2.42 -0.52 -0.09 3.58 -4.77 -1.24 0.36 116.67 116.41 1pav s ASP 10 Ca 0.09 0.92 -0.01 0.00 -3.30 0.00 0.00 52.55 50.25 1pav s ASP 10 Cb -0.16 0.84 0.03 0.00 -1.09 0.00 0.00 42.92 42.55 1pav s ASP 10 CO -0.14 -0.18 -0.02 0.00 0.70 0.00 0.00 175.17 175.53 1pav s ALA 11 N 0.99 0.92 -0.47 2.11 0.00 9.79 -4.74 121.76 130.36 1pav s ALA 11 Ca -0.06 -0.29 -0.10 0.00 0.00 0.00 0.00 51.96 51.51 1pav s ALA 11 Cb -0.06 -0.82 0.11 0.00 0.00 0.00 0.00 23.12 22.35 1pav s ALA 11 CO -0.08 -0.47 0.35 1.03 0.00 0.00 0.00 175.76 176.59 1pav s ARG 12 N 1.88 2.56 0.00 0.00 3.00 -1.26 -1.01 118.95 124.12 1pav s ARG 12 Ca 0.05 -1.72 0.00 0.00 0.00 0.00 0.00 55.73 54.06 1pav s ARG 12 Cb -0.13 -3.96 0.00 0.00 0.00 0.00 0.00 34.95 30.87 1pav s ARG 12 CO -0.06 -1.18 0.00 0.41 0.00 0.00 0.00 175.30 174.47 1pav n GLY 13 N 4.95 0.58 0.50 -3.53 0.00 -1.26 -4.74 105.19 101.70 1pav n GLY 13 Ca -0.09 -0.80 0.11 0.00 0.00 0.00 0.00 46.02 45.23 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 1.55 1.51 0.00 1.61 2.88 -1.26 -4.40 113.62 115.51 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 0.11 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 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 0.22 -0.12 0.00 0.66 0.18 -1.26 4.31 117.16 121.14 1pav n TYR 15 Ca 0.16 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.94 1pav n TYR 15 Cb 0.31 0.10 0.00 0.00 -0.38 0.00 0.00 39.34 39.37 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 -0.62 0.25 0.00 0.04 0.54 0.32 135.00 135.53 1pav s PRO 17 Ca 0.00 -0.38 0.22 0.00 0.04 0.00 0.00 61.00 60.88 1pav s PRO 17 Cb 0.00 -1.70 0.80 0.00 0.04 0.00 0.00 34.50 33.64 1pav s PRO 17 CO 0.00 -3.26 0.74 0.41 0.04 0.00 0.00 177.00 174.93 1pav n GLY 18 N -2.45 -0.45 0.00 0.56 0.00206.01 0.80 105.19 309.65 1pav n GLY 18 Ca 0.16 0.34 0.11 0.00 0.00 0.00 0.00 46.02 46.63 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 -3.07 0.15 -0.52 1.61 -0.04 -0.86 -3.49 135.00 128.79 1pav n PRO 19 Ca 0.21 0.10 0.44 0.00 -0.04 0.00 0.00 63.50 64.21 1pav n PRO 19 Cb 0.91 -1.50 0.78 0.00 -0.04 0.00 0.00 33.50 33.65 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 0.03 0.00 1.53 6.46 3.07 3.63 115.31 130.03 1pav h LEU 20 Ca 0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1pav h LEU 20 Cb 0.30 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 1pav h LEU 20 CO 0.00 -0.01 -1.06 0.23 -0.62 0.00 0.00 178.44 176.98 1pav n MET 21 N -4.10 0.60 -0.08 1.25 2.81 -1.23 -3.45 117.12 112.91 1pav n MET 21 Ca 0.35 0.10 0.19 0.00 -1.81 0.00 0.00 57.70 56.54 1pav n MET 21 Cb 1.62 -1.80 0.63 0.00 -0.71 0.00 0.00 33.22 32.96 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 0.15 -0.02 0.03 3.07 0.66 1.04 114.58 119.52 1pav h GLU 22 Ca 0.00 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1pav h GLU 22 Cb 0.99 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.87 1pav h GLU 22 CO 0.00 0.10 -0.13 -0.07 -1.40 0.00 0.00 179.01 177.51 1pav h LEU 23 N 0.15 0.15 -1.01 1.33 4.07 -1.66 0.20 115.31 118.53 1pav h LEU 23 Ca 0.32 -0.69 -0.05 0.00 0.08 0.00 0.00 57.88 57.54 1pav h LEU 23 Cb 1.04 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.71 1pav h LEU 23 CO -0.05 0.82 0.19 0.16 -1.08 0.00 0.00 178.44 178.48 1pav h ILE 24 N -0.51 1.23 0.00 1.22 3.07 -1.16 0.23 117.51 121.59 1pav h ILE 24 Ca -0.01 -0.78 0.00 0.00 1.55 0.00 0.00 64.86 65.62 1pav h ILE 24 Cb 0.82 0.57 0.00 0.00 -0.27 0.00 0.00 36.82 37.94 1pav h ILE 24 CO 0.03 0.30 0.00 2.29 -1.05 0.00 0.00 178.15 179.72 1pav n LYS 25 N -4.29 0.19 0.01 0.16 -0.00 0.34 -3.38 118.16 111.19 1pav n LYS 25 Ca 0.05 0.15 -0.21 0.00 -0.00 0.00 0.00 58.31 58.30 1pav n LYS 25 Cb 0.21 -1.72 -0.14 0.00 -0.00 0.00 0.00 35.03 33.38 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 0.12 -1.65 0.58 0.00 0.12 -3.32 119.26 117.76 1pav h ALA 26 Ca 0.00 -0.99 0.48 0.00 0.00 0.00 0.00 54.91 54.40 1pav h ALA 26 Cb 0.67 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 1pav h ALA 26 CO 0.00 0.69 1.19 0.10 0.00 0.00 0.00 179.25 181.23 1pav h TYR 27 N -0.39 0.01 0.00 0.00 -0.00 -0.64 5.09 116.97 121.04 1pav h TYR 27 Ca -0.26 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.42 1pav h TYR 27 Cb 1.67 -0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.39 1pav h TYR 27 CO 0.15 -0.00 -0.25 -0.22 -0.00 0.00 0.00 178.16 177.84 1pav h LYS 28 N 0.00 0.00 0.02 0.10 3.64 -1.70 -3.25 116.57 115.39 1pav h LYS 28 Ca 0.79 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 60.07 1pav h LYS 28 Cb 3.16 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 34.99 1pav h LYS 28 CO -0.02 0.25 -0.41 0.37 -2.27 0.00 0.00 179.45 177.38 1pav h GLN 29 N 0.00 0.23 0.00 1.90 4.15 1.00 -3.46 115.11 118.94 1pav h GLN 29 Ca -0.00 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 59.14 1pav h GLN 29 Cb 1.09 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1pav h GLN 29 CO 0.03 1.03 0.00 0.00 -1.93 0.00 0.00 178.83 177.96 1pav n ALA 30 N -2.58 0.00 -2.94 3.38 0.00 -0.55 -5.13 120.51 112.70 1pav n ALA 30 Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.23 1pav n ALA 30 Cb 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.98 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 1.28 0.89 0.09 0.00 1.02 -1.26 -4.94 119.74 116.82 1pav s LYS 31 Ca 0.00 -0.62 -0.36 0.00 0.02 0.00 0.00 55.97 55.01 1pav s LYS 31 Cb 0.00 0.38 -0.16 0.00 -0.52 0.00 0.00 37.83 37.54 1pav s LYS 31 CO 0.00 -0.30 1.46 1.55 -0.92 0.00 0.00 175.35 177.14 1pav n VAL 32 N 0.26 0.04 -0.25 3.17 3.14 -1.25 -0.27 118.33 123.17 1pav n VAL 32 Ca -0.17 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 1pav n VAL 32 Cb 0.61 -1.12 0.00 0.00 -1.06 0.00 0.00 33.84 32.27 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 2.98 0.68 3.90 7.55 0.00 46.97 -4.66 105.19 162.61 1pav n GLY 33 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.75 2.30 0.04 1.61 2.56 0.33 -4.72 118.70 120.07 1pav s GLU 34 Ca 0.00 -1.90 0.01 0.00 0.00 0.00 0.00 54.97 53.08 1pav s GLU 34 Cb 0.00 -2.18 -0.03 0.00 2.00 0.00 0.00 34.13 33.92 1pav s GLU 34 CO 0.00 -0.53 -0.05 0.14 -0.56 0.00 0.00 175.26 174.26 1pav s VAL 35 N -2.70 0.29 -0.08 3.70 -7.23 -1.21 1.37 120.40 114.54 1pav s VAL 35 Ca 0.39 -1.18 -0.07 0.00 -1.81 0.00 0.00 61.98 59.31 1pav s VAL 35 Cb -0.02 -0.67 0.02 0.00 0.56 0.00 0.00 36.38 36.27 1pav s VAL 35 CO 0.24 -0.58 0.20 0.27 -0.31 0.00 0.00 175.10 174.92 1pav s ILE 36 N -2.01 -0.00 -0.15 -0.62 -4.36 0.98 -2.04 121.20 112.99 1pav s ILE 36 Ca -0.08 0.01 -0.06 0.00 -0.26 0.00 0.00 60.65 60.26 1pav s ILE 36 Cb -0.06 -0.29 -0.04 0.00 1.25 0.00 0.00 42.46 43.32 1pav s ILE 36 CO -0.02 0.01 0.05 -0.55 0.24 0.00 0.00 174.94 174.66 1pav s SER 37 N 0.20 5.54 0.38 4.36 0.15 -1.26 0.16 113.70 123.23 1pav s SER 37 Ca -0.01 0.11 0.07 0.00 0.70 0.00 0.00 55.95 56.83 1pav s SER 37 Cb -0.02 -1.86 -0.07 0.00 -1.71 0.00 0.00 66.02 62.36 1pav s SER 37 CO -0.00 0.24 -0.02 0.54 1.20 0.00 0.00 173.24 175.20 1pav s VAL 38 N -0.02 1.96 0.16 4.45 0.11 1.92 -1.38 120.40 127.59 1pav s VAL 38 Ca 0.05 -2.06 -0.13 0.00 -2.93 0.00 0.00 61.98 56.91 1pav s VAL 38 Cb -0.12 -2.85 0.01 0.00 -1.53 0.00 0.00 36.38 31.89 1pav s VAL 38 CO 0.01 -0.07 0.37 -0.72 -3.33 0.00 0.00 175.10 171.36 1pav s TYR 39 N -2.76 0.09 0.23 1.54 1.13 1.11 0.82 117.35 119.51 1pav s TYR 39 Ca 0.34 -0.45 -0.21 0.00 -1.41 0.00 0.00 57.07 55.35 1pav s TYR 39 Cb 0.07 0.14 0.07 0.00 -1.10 0.00 0.00 41.96 41.15 1pav s TYR 39 CO 0.17 -0.76 1.00 0.45 -2.51 0.00 0.00 175.55 173.90 1pav s SER 40 N -2.89 0.03 0.00 -0.18 0.15 71.69 1.20 113.70 183.69 1pav s SER 40 Ca 0.10 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.96 1pav s SER 40 Cb 0.02 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1pav s SER 40 CO -0.05 -1.14 0.00 0.41 1.20 0.00 0.00 173.24 173.67 1pav n THR 41 N -0.70 0.00 -0.05 6.45 -1.04 -0.18 1.77 114.28 120.53 1pav n THR 41 Ca -0.03 0.00 0.25 0.00 -2.04 0.00 0.00 64.05 62.22 1pav n THR 41 Cb 0.59 -0.23 0.68 0.00 -1.82 0.00 0.00 70.33 69.56 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 -0.77 8.00 3.58 -1.85 -3.44 116.42 121.94 1pav h ASP 42 Ca 0.00 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.26 1pav h ASP 42 Cb 0.24 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.24 1pav h ASP 42 CO 0.00 0.00 -0.20 0.00 -2.88 0.00 0.00 179.24 176.16 1pav n ALA 43 N -2.40 -0.19 -0.10 -0.78 0.00 -1.26 -4.76 120.51 111.02 1pav n ALA 43 Ca 0.14 0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.56 1pav n ALA 43 Cb 0.93 -1.21 -0.09 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.54 -0.28 0.23 0.00 0.00 -1.24 -4.47 105.19 97.90 1pav n GLY 44 Ca -0.10 -0.13 0.02 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 1.19 -1.21 2.61 1.03 2.11 1.59 112.91 120.24 1pav h THR 45 Ca -0.45 -0.87 0.35 0.00 -0.01 0.00 0.00 66.41 65.43 1pav h THR 45 Cb 1.70 1.27 -0.10 0.00 -1.07 0.00 0.00 68.15 69.95 1pav h THR 45 CO -0.07 0.27 0.80 0.11 -0.01 0.00 0.00 175.52 176.62 1pav h LYS 46 N 0.22 0.19 0.06 0.00 1.57 -1.73 43.41 116.57 160.29 1pav h LYS 46 Ca 0.04 -0.01 -0.31 0.00 -1.87 0.00 0.00 60.65 58.51 1pav h LYS 46 Cb 0.43 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1pav h LYS 46 CO 0.03 0.13 -1.67 0.36 -0.57 0.00 0.00 179.45 177.72 1pav n LYS 47 N -4.53 0.66 0.04 3.15 0.00 -0.88 -4.22 118.16 112.38 1pav n LYS 47 Ca 0.30 0.41 -0.15 0.00 -0.00 0.00 0.00 58.31 58.88 1pav n LYS 47 Cb 1.19 -1.72 -0.14 0.00 -0.00 0.00 0.00 35.03 34.37 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 -0.47 0.27 -0.98 -5.58 5.19 0.78 -3.34 116.42 112.29 1pav h ASP 48 Ca -0.40 -0.41 0.28 0.00 -0.62 0.00 0.00 57.03 55.87 1pav h ASP 48 Cb 1.67 -0.09 -0.18 0.00 0.18 0.00 0.00 39.33 40.91 1pav h ASP 48 CO -0.07 1.35 0.05 0.00 -3.12 0.00 0.00 179.24 177.45 1pav h ALA 49 N 0.61 1.20 0.00 3.45 0.00 10.89 6.53 119.26 141.95 1pav h ALA 49 Ca -0.25 0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1pav h ALA 49 Cb 1.99 0.58 0.00 0.00 0.00 0.00 0.00 17.79 20.36 1pav h ALA 49 CO 0.13 -0.58 0.00 -0.35 0.00 0.00 0.00 179.25 178.45 1pav n PRO 50 N -5.48 0.75 -0.04 0.00 -0.04 -1.21 -2.27 135.00 126.72 1pav n PRO 50 Ca 0.24 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.67 1pav n PRO 50 Cb 0.78 -1.30 -0.09 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.80 1.94 0.05 0.55 0.00 2.08 -4.32 120.51 120.02 1pav n ALA 51 Ca 0.11 -0.61 -0.06 0.00 0.00 0.00 0.00 53.44 52.87 1pav n ALA 51 Cb 0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.55 -0.92 0.00 6.55 -0.29 0.92 115.95 121.66 1pav h TRP 52 Ca -0.22 0.01 0.26 0.00 0.95 0.00 0.00 58.89 59.89 1pav h TRP 52 Cb 1.36 0.23 -0.04 0.00 -0.86 0.00 0.00 29.16 29.85 1pav h TRP 52 CO 0.00 -0.22 0.65 0.97 -1.05 0.00 0.00 178.44 178.79 1pav h ILE 53 N -0.29 0.56 -1.07 1.49 -0.00 -1.76 0.20 117.51 116.63 1pav h ILE 53 Ca -0.01 -0.03 0.34 0.00 -0.00 0.00 0.00 64.86 65.17 1pav h ILE 53 Cb 0.29 0.48 -0.14 0.00 -0.00 0.00 0.00 36.82 37.44 1pav h ILE 53 CO -0.09 0.01 0.64 -0.61 -0.00 0.00 0.00 178.15 178.10 1pav h GLN 54 N 0.07 0.26 0.00 2.19 4.15 -1.00 0.65 115.11 121.44 1pav h GLN 54 Ca 0.45 -0.02 -0.38 0.00 0.77 0.00 0.00 58.65 59.48 1pav h GLN 54 Cb 1.66 -0.06 -0.07 0.00 0.21 0.00 0.00 27.48 29.22 1pav h GLN 54 CO -0.04 0.17 -2.42 1.63 -1.93 0.00 0.00 178.83 176.24 1pav n LYS 55 N -4.93 0.68 -0.15 1.69 4.01 0.54 -4.54 118.16 115.46 1pav n LYS 55 Ca 0.32 0.10 -0.12 0.00 -0.51 0.00 0.00 58.31 58.10 1pav n LYS 55 Cb 1.08 -1.51 -0.09 0.00 -0.51 0.00 0.00 35.03 34.00 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 -1.63 0.00 4.39 0.02 0.51 -3.46 113.55 113.38 1pav h SER 56 Ca -0.56 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1pav h SER 56 Cb 1.99 0.67 0.00 0.00 0.14 0.00 0.00 62.40 65.21 1pav h SER 56 CO -0.05 -0.33 0.00 0.61 -1.14 0.00 0.00 176.83 175.92 1pav n GLY 57 N -1.31 1.90 3.74 -3.77 0.00 0.06 -4.79 105.19 101.03 1pav n GLY 57 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 2.65 0.15 1.61 -2.07 -1.23 0.50 119.66 121.27 1pav s GLN 58 Ca 0.00 -1.20 -0.33 0.00 -1.82 0.00 0.00 55.36 52.01 1pav s GLN 58 Cb 0.00 -2.40 -0.13 0.00 -1.09 0.00 0.00 33.01 29.40 1pav s GLN 58 CO 0.00 0.39 1.66 -1.91 -1.32 0.00 0.00 175.29 174.12 1pav n GLU 59 N -1.00 2.37 -2.43 9.60 2.13 24.44 -4.10 120.64 151.64 1pav n GLU 59 Ca -0.07 0.86 -0.43 0.00 0.66 0.00 0.00 57.16 58.17 1pav n GLU 59 Cb 0.58 -2.66 -0.02 0.00 0.27 0.00 0.00 31.44 29.61 1pav n GLU 59 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1pav s LEU 60 N 1.42 3.57 0.00 4.31 2.96 -1.26 1.49 118.68 131.17 1pav s LEU 60 Ca 0.79 0.65 -0.00 0.00 -0.22 0.00 0.00 54.13 55.35 1pav s LEU 60 Cb -0.62 -3.48 0.15 0.00 0.50 0.00 0.00 46.19 42.74 1pav s LEU 60 CO 0.38 -1.42 1.02 1.33 -1.32 0.00 0.00 176.35 176.34 1pav n VAL 61 N 6.99 0.00 -3.67 1.68 0.24 -1.10 -4.46 118.33 118.02 1pav n VAL 61 Ca 0.15 -1.60 -0.28 0.00 -2.04 0.00 0.00 64.34 60.57 1pav n VAL 61 Cb 0.48 -0.89 -0.16 0.00 -1.47 0.00 0.00 33.84 31.80 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 -5.17 0.65 -0.30 7.63 0.00 -1.26 -4.77 107.32 104.10 1pav s GLY 62 Ca 0.68 -0.83 -0.00 0.00 0.00 0.00 0.00 44.72 44.56 1pav s GLY 62 CO 0.45 1.63 0.70 -1.34 0.00 0.00 0.00 173.10 174.54 1pav s VAL 63 N 1.92 -0.83 -0.05 1.40 -7.23 -1.26 -5.00 120.40 109.35 1pav s VAL 63 Ca 0.03 0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.18 1pav s VAL 63 Cb -0.17 -0.90 0.04 0.00 0.56 0.00 0.00 36.38 35.90 1pav s VAL 63 CO -0.16 0.00 0.10 -0.36 -0.31 0.00 0.00 175.10 174.37 1pav s PHE 64 N 2.87 -0.09 -0.25 2.82 0.08 -1.26 -4.07 117.98 118.07 1pav s PHE 64 Ca 0.15 0.35 -0.16 0.00 0.12 0.00 0.00 56.93 57.38 1pav s PHE 64 Cb -0.11 -0.15 0.07 0.00 -0.57 0.00 0.00 43.02 42.27 1pav s PHE 64 CO -0.22 -0.14 0.64 0.34 -0.10 0.00 0.00 175.22 175.73 1pav s ASP 65 N 1.17 -0.82 -0.87 1.36 -1.08 -1.26 -5.05 116.67 110.12 1pav s ASP 65 Ca -0.09 1.37 0.00 0.00 -0.52 0.00 0.00 52.55 53.32 1pav s ASP 65 Cb -0.12 1.28 0.27 0.00 -1.46 0.00 0.00 42.92 42.88 1pav s ASP 65 CO -0.05 -0.23 1.05 -2.11 0.52 0.00 0.00 175.17 174.36 1pav n ARG 66 N 3.95 3.34 -0.00 4.34 0.00 -1.26 -3.52 116.66 123.51 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 -2.39 -0.03 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 1.35 4.01 0.00 2.89 5.15 -1.26 -4.94 115.26 122.46 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 1.16 0.00 0.00 -0.53 0.00 0.00 39.78 40.78 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 2.28 0.12 3.57 8.20 0.00 -1.26 -5.12 105.19 112.99 1pav n GLY 68 Ca -0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.15 -1.19 0.34 1.61 1.13 -1.22 -4.65 117.35 112.22 1pav s TYR 69 Ca 0.00 2.03 -0.22 0.00 -1.41 0.00 0.00 57.07 57.47 1pav s TYR 69 Cb 0.00 0.70 -0.10 0.00 -1.10 0.00 0.00 41.96 41.46 1pav s TYR 69 CO 0.00 -0.59 0.88 1.52 -2.51 0.00 0.00 175.55 174.85 1pav s TYR 70 N 2.79 3.52 0.18 -3.49 -0.85 23.16 -4.26 117.35 138.40 1pav s TYR 70 Ca -0.04 1.59 -0.10 0.00 -0.52 0.00 0.00 57.07 58.00 1pav s TYR 70 Cb -0.11 -2.80 -0.00 0.00 0.38 0.00 0.00 41.96 39.43 1pav s TYR 70 CO -0.19 0.11 0.33 -1.83 -1.52 0.00 0.00 175.55 172.45 1pav s GLU 71 N -2.53 1.22 0.02 -3.49 -1.05 -1.24 2.83 118.70 114.47 1pav s GLU 71 Ca 0.53 -1.15 -0.05 0.00 -0.15 0.00 0.00 54.97 54.15 1pav s GLU 71 Cb -0.14 0.40 -0.01 0.00 -0.44 0.00 0.00 34.13 33.94 1pav s GLU 71 CO 0.19 -0.46 0.10 0.42 0.95 0.00 0.00 175.26 176.45 1pav s ILE 72 N -3.96 0.11 0.30 1.83 1.09 0.24 -4.19 121.20 116.62 1pav s ILE 72 Ca 0.17 -0.92 0.09 0.00 -1.10 0.00 0.00 60.65 58.90 1pav s ILE 72 Cb 0.02 -0.63 -0.05 0.00 -1.06 0.00 0.00 42.46 40.75 1pav s ILE 72 CO 0.01 -0.50 0.03 0.68 -0.10 0.00 0.00 174.94 175.05 1pav s VAL 73 N -1.98 3.11 -0.19 2.92 -7.23 -1.25 0.51 120.40 116.29 1pav s VAL 73 Ca -0.10 -1.90 -0.14 0.00 -1.81 0.00 0.00 61.98 58.03 1pav s VAL 73 Cb -0.05 -2.84 0.06 0.00 0.56 0.00 0.00 36.38 34.11 1pav s VAL 73 CO -0.02 -0.29 0.48 -0.04 -0.31 0.00 0.00 175.10 174.93 1pav s MET 74 N -3.72 0.52 -0.54 4.82 1.00 0.43 -2.70 119.30 119.11 1pav s MET 74 Ca 0.34 0.79 -0.16 0.00 0.00 0.00 0.00 55.69 56.66 1pav s MET 74 Cb -0.04 0.14 0.13 0.00 0.00 0.00 0.00 34.83 35.06 1pav s MET 74 CO 0.20 -0.11 0.49 0.21 0.00 0.00 0.00 175.02 175.81 1pav s LYS 75 N 0.87 2.96 -0.44 2.03 2.20 1.02 0.33 119.74 128.71 1pav s LYS 75 Ca -0.05 -1.71 -0.43 0.00 -0.36 0.00 0.00 55.97 53.42 1pav s LYS 75 Cb -0.06 -4.28 -0.17 0.00 -1.51 0.00 0.00 37.83 31.81 1pav s LYS 75 CO -0.07 -1.32 1.92 1.63 -0.36 0.00 0.00 175.35 177.15 1pav n LYS 76 N 5.23 0.38 -0.66 4.03 4.76 12.96 1.81 118.16 146.67 1pav n LYS 76 Ca -0.14 0.12 0.02 0.00 -2.87 0.00 0.00 58.31 55.44 1pav n LYS 76 Cb 0.40 -1.76 0.02 0.00 -1.84 0.00 0.00 35.03 31.85 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 5.55 0.18 0.00 -0.18 0.24 1.88 2.38 118.33 128.38 1pav n VAL 77 Ca 0.41 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1pav n VAL 77 Cb 0.03 0.53 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 1pav n VAL 77 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98