#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 4.64 -1.26 -4.68 116.55 121.37 1pav n ASP 2 Ca 0.00 0.33 0.00 0.00 -1.38 0.00 0.00 54.79 53.74 1pav n ASP 2 Cb 0.00 -0.43 0.00 0.00 -1.04 0.00 0.00 41.12 39.65 1pav n ASP 2 CO 0.00 0.00 0.00 0.55 -0.82 0.00 0.00 177.20 176.93 1pav n VAL 3 N -1.43 0.00 -0.45 5.18 3.14 -1.26 -3.15 118.33 120.37 1pav n VAL 3 Ca 0.06 0.00 0.07 0.00 -2.96 0.00 0.00 64.34 61.51 1pav n VAL 3 Cb 0.20 0.00 0.33 0.00 -1.06 0.00 0.00 33.84 33.31 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 3.79 -2.52 1.45 4.81 -1.26 -4.95 118.16 119.47 1pav n LYS 4 Ca 0.00 -2.59 -0.38 0.00 -0.87 0.00 0.00 58.31 54.48 1pav n LYS 4 Cb 0.00 -1.96 -0.04 0.00 0.02 0.00 0.00 35.03 33.05 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 -2.10 4.29 -0.32 1.64 0.04 -1.19 -4.92 135.00 132.44 1pav s PRO 5 Ca 0.46 1.59 -0.01 0.00 0.04 0.00 0.00 61.00 63.07 1pav s PRO 5 Cb 0.32 -2.71 0.06 0.00 0.04 0.00 0.00 34.50 32.21 1pav s PRO 5 CO 0.18 -0.05 0.04 0.16 0.04 0.00 0.00 177.00 177.37 1pav s ASP 6 N -1.38 4.94 0.37 6.66 1.47 -1.07 -4.12 116.67 123.54 1pav s ASP 6 Ca 0.54 -1.47 -0.14 0.00 1.18 0.00 0.00 52.55 52.65 1pav s ASP 6 Cb -0.25 -1.72 0.05 0.00 -0.34 0.00 0.00 42.92 40.66 1pav s ASP 6 CO 0.31 -0.32 0.75 -0.60 0.68 0.00 0.00 175.17 175.99 1pav s ARG 7 N 1.20 2.17 -0.33 2.11 3.52 -1.26 -4.82 118.95 121.54 1pav s ARG 7 Ca -0.02 -1.45 -0.01 0.00 -0.13 0.00 0.00 55.73 54.12 1pav s ARG 7 Cb -0.20 0.60 0.07 0.00 -1.56 0.00 0.00 34.95 33.87 1pav s ARG 7 CO -0.02 -1.00 0.05 0.08 -0.81 0.00 0.00 175.30 173.59 1pav s VAL 8 N -2.49 2.86 -0.22 7.11 1.01 -1.26 -4.29 120.40 123.11 1pav s VAL 8 Ca 0.17 -1.74 -0.03 0.00 0.00 0.00 0.00 61.98 60.37 1pav s VAL 8 Cb -0.05 -2.80 0.11 0.00 0.00 0.00 0.00 36.38 33.64 1pav s VAL 8 CO 0.12 -0.33 0.29 -0.63 0.00 0.00 0.00 175.10 174.56 1pav s ILE 9 N 1.15 -0.45 -0.17 2.22 -1.09 -0.56 -4.98 121.20 117.31 1pav s ILE 9 Ca 0.00 -0.09 -0.11 0.00 -2.23 0.00 0.00 60.65 58.22 1pav s ILE 9 Cb -0.20 -0.74 0.05 0.00 -1.58 0.00 0.00 42.46 39.99 1pav s ILE 9 CO -0.03 -0.17 0.42 1.51 -1.23 0.00 0.00 174.94 175.44 1pav s ASP 10 N 2.43 -0.50 -0.08 3.58 3.84 -1.25 0.29 116.67 124.99 1pav s ASP 10 Ca 0.10 0.89 -0.01 0.00 -0.00 0.00 0.00 52.55 53.52 1pav s ASP 10 Cb -0.16 0.82 0.03 0.00 -1.38 0.00 0.00 42.92 42.23 1pav s ASP 10 CO -0.14 -0.18 0.00 0.00 -0.00 0.00 0.00 175.17 174.86 1pav s ALA 11 N 0.98 0.73 -0.44 2.11 0.00 6.87 -4.76 121.76 127.25 1pav s ALA 11 Ca -0.06 -0.17 -0.10 0.00 0.00 0.00 0.00 51.96 51.63 1pav s ALA 11 Cb -0.06 -0.78 0.09 0.00 0.00 0.00 0.00 23.12 22.37 1pav s ALA 11 CO -0.08 -0.50 0.30 1.03 0.00 0.00 0.00 175.76 176.51 1pav s ARG 12 N 1.96 2.63 0.00 0.00 3.00 -1.26 -1.13 118.95 124.15 1pav s ARG 12 Ca 0.05 -1.53 0.00 0.00 0.00 0.00 0.00 55.73 54.25 1pav s ARG 12 Cb -0.13 -3.87 0.00 0.00 0.00 0.00 0.00 34.95 30.95 1pav s ARG 12 CO -0.05 -1.03 0.00 0.41 0.00 0.00 0.00 175.30 174.62 1pav n GLY 13 N 4.96 0.42 0.65 -3.53 0.00 -1.26 -4.74 105.19 101.69 1pav n GLY 13 Ca -0.10 -0.99 0.06 0.00 0.00 0.00 0.00 46.02 44.98 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 1.90 1.89 0.00 1.61 2.88 -1.26 -4.41 113.62 116.23 1pav n SER 14 Ca 0.00 -2.01 0.00 0.00 -1.33 0.00 0.00 58.87 55.53 1pav n SER 14 Cb 0.13 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 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 0.52 -0.13 0.00 0.66 0.18 -1.26 5.78 117.16 122.91 1pav n TYR 15 Ca 0.12 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.90 1pav n TYR 15 Cb 0.30 0.10 0.00 0.00 -0.38 0.00 0.00 39.34 39.36 1pav n TYR 15 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1pav n PRO 17 N 0.00 -1.43 -0.26 0.00 -0.04 0.27 0.50 135.00 134.04 1pav n PRO 17 Ca 0.00 -1.03 0.24 0.00 -0.04 0.00 0.00 63.50 62.68 1pav n PRO 17 Cb 0.00 -0.81 0.37 0.00 -0.04 0.00 0.00 33.50 33.02 1pav n PRO 17 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pav n GLY 18 N -0.56 -0.55 0.00 0.55 0.00443.31 0.65 105.19 548.58 1pav n GLY 18 Ca 0.09 0.32 0.11 0.00 0.00 0.00 0.00 46.02 46.53 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 -2.81 0.12 -0.56 1.61 -0.04 -0.69 -3.50 135.00 129.14 1pav n PRO 19 Ca 0.20 0.10 0.46 0.00 -0.04 0.00 0.00 63.50 64.23 1pav n PRO 19 Cb 1.12 -1.50 0.79 0.00 -0.04 0.00 0.00 33.50 33.87 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 0.01 0.00 1.53 6.46 1.97 3.09 115.31 128.36 1pav h LEU 20 Ca 0.00 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.60 1pav h LEU 20 Cb 0.31 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 1pav h LEU 20 CO 0.00 -0.00 -1.35 0.24 -0.62 0.00 0.00 178.44 176.70 1pav h MET 21 N 0.00 0.00 -0.96 1.25 2.86 -1.76 -3.31 114.93 113.03 1pav h MET 21 Ca 0.79 0.00 0.28 0.00 -2.06 0.00 0.00 59.70 58.71 1pav h MET 21 Cb 3.17 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 34.79 1pav h MET 21 CO -0.02 0.32 0.86 0.93 1.06 0.00 0.00 176.91 180.06 1pav h GLU 22 N 0.00 0.00 0.04 1.72 4.39 0.54 0.46 114.58 121.73 1pav h GLU 22 Ca -0.15 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 1pav h GLU 22 Cb 1.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.24 1pav h GLU 22 CO 0.05 0.00 -0.02 -0.07 -1.16 0.00 0.00 179.01 177.81 1pav h LEU 23 N 0.00 -0.05 -1.28 1.33 4.07 -1.66 -1.66 115.31 116.05 1pav h LEU 23 Ca 0.45 -0.21 0.22 0.00 0.08 0.00 0.00 57.88 58.43 1pav h LEU 23 Cb 2.18 0.01 -0.09 0.00 1.08 0.00 0.00 40.66 43.84 1pav h LEU 23 CO -0.00 0.54 0.63 0.16 -1.08 0.00 0.00 178.44 178.69 1pav h ILE 24 N -1.00 0.62 0.00 1.22 -2.65 -0.90 2.23 117.51 117.03 1pav h ILE 24 Ca -0.01 -0.18 0.00 0.00 1.03 0.00 0.00 64.86 65.71 1pav h ILE 24 Cb 0.25 0.06 0.00 0.00 -2.05 0.00 0.00 36.82 35.08 1pav h ILE 24 CO 0.01 0.09 -0.03 2.29 0.03 0.00 0.00 178.15 180.55 1pav n LYS 25 N -4.64 0.20 -0.06 0.16 -0.00 0.14 -3.55 118.16 110.39 1pav n LYS 25 Ca 0.23 0.15 -0.13 0.00 -0.00 0.00 0.00 58.31 58.57 1pav n LYS 25 Cb 0.73 -1.72 -0.12 0.00 -0.00 0.00 0.00 35.03 33.92 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 2.65 -0.01 -1.59 0.58 0.00 0.46 -3.20 119.26 118.16 1pav h ALA 26 Ca 0.00 -0.43 0.47 0.00 0.00 0.00 0.00 54.91 54.94 1pav h ALA 26 Cb 0.68 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 1pav h ALA 26 CO 0.00 -0.03 1.13 0.10 0.00 0.00 0.00 179.25 180.45 1pav h TYR 27 N -0.96 0.09 0.00 0.00 -0.00 -0.95 3.93 116.97 119.08 1pav h TYR 27 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 58.73 58.58 1pav h TYR 27 Cb 0.87 -0.02 -0.02 0.00 0.00 0.00 0.00 36.73 37.55 1pav h TYR 27 CO 0.24 -0.03 -0.75 0.87 -0.00 0.00 0.00 178.16 178.49 1pav h LYS 28 N 0.02 0.00 0.03 0.10 1.57 -1.68 -3.29 116.57 113.32 1pav h LYS 28 Ca 0.78 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.46 1pav h LYS 28 Cb 3.02 0.00 0.01 0.00 0.08 0.00 0.00 32.23 35.34 1pav h LYS 28 CO -0.08 0.75 -0.41 0.37 -0.57 0.00 0.00 179.45 179.51 1pav h GLN 29 N 0.00 0.24 0.00 3.15 -0.00 0.73 -3.46 115.11 115.77 1pav h GLN 29 Ca -0.01 -0.29 0.00 0.00 -0.00 0.00 0.00 58.65 58.36 1pav h GLN 29 Cb 1.49 0.09 0.00 0.00 0.00 0.00 0.00 27.48 29.06 1pav h GLN 29 CO 0.10 1.03 0.00 0.00 0.00 0.00 0.00 178.83 179.96 1pav n ALA 30 N -2.58 0.00 -2.82 3.38 0.00 0.72 -5.11 120.51 114.10 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 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.99 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 1.23 0.95 0.32 0.00 0.00 -1.26 -4.89 119.74 116.08 1pav s LYS 31 Ca 0.00 -0.78 -0.27 0.00 0.00 0.00 0.00 55.97 54.92 1pav s LYS 31 Cb 0.00 0.40 -0.13 0.00 0.00 0.00 0.00 37.83 38.10 1pav s LYS 31 CO 0.00 -0.34 1.01 1.55 0.00 0.00 0.00 175.35 177.57 1pav n VAL 32 N -0.06 2.05 -1.00 1.79 3.14 -1.26 -0.56 118.33 122.44 1pav n VAL 32 Ca -0.16 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.72 1pav n VAL 32 Cb 0.63 -1.04 0.00 0.00 -1.06 0.00 0.00 33.84 32.37 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 1.20 0.69 3.91 7.55 0.00 26.01 -4.65 105.19 139.91 1pav n GLY 33 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.00 2.31 0.05 1.61 2.12 0.57 -4.70 118.70 120.66 1pav s GLU 34 Ca 0.00 -1.87 0.00 0.00 0.36 0.00 0.00 54.97 53.46 1pav s GLU 34 Cb 0.00 -2.23 -0.03 0.00 0.26 0.00 0.00 34.13 32.13 1pav s GLU 34 CO 0.00 -0.56 -0.04 0.14 -0.54 0.00 0.00 175.26 174.26 1pav s VAL 35 N -2.70 0.31 -0.10 3.70 -7.23 -1.21 1.70 120.40 114.87 1pav s VAL 35 Ca 0.41 -1.46 -0.09 0.00 -1.81 0.00 0.00 61.98 59.04 1pav s VAL 35 Cb -0.03 -1.04 0.03 0.00 0.56 0.00 0.00 36.38 35.90 1pav s VAL 35 CO 0.25 -0.74 0.26 0.27 -0.31 0.00 0.00 175.10 174.82 1pav s ILE 36 N -2.77 -0.00 -0.18 -0.62 -5.25 0.87 -2.61 121.20 110.64 1pav s ILE 36 Ca -0.02 0.01 -0.06 0.00 -0.99 0.00 0.00 60.65 59.60 1pav s ILE 36 Cb -0.00 -0.36 -0.03 0.00 2.95 0.00 0.00 42.46 45.01 1pav s ILE 36 CO -0.05 0.00 0.02 -0.55 -1.79 0.00 0.00 174.94 172.58 1pav s SER 37 N 0.23 5.26 0.38 4.36 0.15 -1.26 0.72 113.70 123.55 1pav s SER 37 Ca -0.01 -0.03 0.07 0.00 0.70 0.00 0.00 55.95 56.69 1pav s SER 37 Cb -0.02 -1.89 -0.07 0.00 -1.71 0.00 0.00 66.02 62.32 1pav s SER 37 CO -0.00 0.15 -0.01 0.54 1.20 0.00 0.00 173.24 175.12 1pav s VAL 38 N 0.48 1.95 0.15 4.45 0.11 2.39 -1.50 120.40 128.42 1pav s VAL 38 Ca 0.01 -2.05 -0.13 0.00 -2.93 0.00 0.00 61.98 56.88 1pav s VAL 38 Cb -0.13 -2.88 0.01 0.00 -1.53 0.00 0.00 36.38 31.85 1pav s VAL 38 CO 0.02 -0.06 0.36 -0.72 -3.33 0.00 0.00 175.10 171.37 1pav s TYR 39 N -2.77 0.09 0.32 1.54 1.13 0.85 0.12 117.35 118.64 1pav s TYR 39 Ca 0.34 -0.45 -0.17 0.00 -1.41 0.00 0.00 57.07 55.38 1pav s TYR 39 Cb 0.08 0.14 0.06 0.00 -1.10 0.00 0.00 41.96 41.14 1pav s TYR 39 CO 0.17 -0.75 0.87 0.45 -2.51 0.00 0.00 175.55 173.78 1pav n SER 40 N -0.23 -2.10 0.00 -0.18 2.88 36.36 1.01 113.62 151.36 1pav n SER 40 Ca -0.11 -2.35 0.00 0.00 -1.33 0.00 0.00 58.87 55.08 1pav n SER 40 Cb 0.63 3.47 0.00 0.00 -0.75 0.00 0.00 64.21 67.56 1pav n SER 40 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1pav n THR 41 N -0.60 0.00 -0.34 2.46 -1.04 -0.29 2.27 114.28 116.75 1pav n THR 41 Ca -0.07 0.00 0.29 0.00 -2.04 0.00 0.00 64.05 62.23 1pav n THR 41 Cb 0.59 -0.15 0.61 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 0.27 0.00 8.00 -0.00 -1.85 -3.43 116.42 119.41 1pav h ASP 42 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 57.03 57.09 1pav h ASP 42 Cb 0.18 0.02 0.00 0.00 -0.00 0.00 0.00 39.33 39.53 1pav h ASP 42 CO 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 179.24 179.27 1pav n ALA 43 N -2.58 0.00 -0.07 -0.78 0.00 -1.26 -4.84 120.51 110.97 1pav n ALA 43 Ca 0.27 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.62 1pav n ALA 43 Cb 1.07 -0.42 -0.08 0.00 0.00 0.00 0.00 19.45 20.02 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 -2.16 -0.36 0.25 0.00 0.00 -1.22 -4.47 105.19 97.22 1pav n GLY 44 Ca 0.00 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 0.77 -0.86 2.61 1.03 2.75 0.81 112.91 120.03 1pav h THR 45 Ca -0.35 -0.62 0.14 0.00 -0.01 0.00 0.00 66.41 65.58 1pav h THR 45 Cb 1.63 1.37 -0.06 0.00 -1.07 0.00 0.00 68.15 70.01 1pav h THR 45 CO -0.03 0.15 0.56 0.50 -0.01 0.00 0.00 175.52 176.69 1pav h LYS 46 N 0.00 0.62 0.09 0.00 3.64 -1.66 22.59 116.57 141.86 1pav h LYS 46 Ca -0.00 -0.04 -0.34 0.00 -1.27 0.00 0.00 60.65 59.00 1pav h LYS 46 Cb 0.36 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1pav h LYS 46 CO 0.02 0.41 -1.86 0.36 -2.27 0.00 0.00 179.45 176.11 1pav n LYS 47 N -4.54 0.71 0.12 1.90 0.00 -0.77 -4.12 118.16 111.47 1pav n LYS 47 Ca 0.16 0.33 -0.24 0.00 -0.00 0.00 0.00 58.31 58.57 1pav n LYS 47 Cb 0.47 -1.71 -0.16 0.00 -0.00 0.00 0.00 35.03 33.64 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 -0.21 0.77 -0.97 -5.58 3.32 0.32 -3.31 116.42 110.76 1pav h ASP 48 Ca -0.42 -0.93 0.27 0.00 0.02 0.00 0.00 57.03 55.97 1pav h ASP 48 Cb 1.85 -0.25 -0.18 0.00 0.22 0.00 0.00 39.33 40.97 1pav h ASP 48 CO -0.00 1.70 0.01 0.00 -1.72 0.00 0.00 179.24 179.23 1pav n ALA 49 N -2.75 0.49 1.50 3.45 0.00 6.86 0.54 120.51 130.60 1pav n ALA 49 Ca -0.18 1.05 0.01 0.00 0.00 0.00 0.00 53.44 54.31 1pav n ALA 49 Cb 1.07 -0.76 0.05 0.00 0.00 0.00 0.00 19.45 19.82 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 -5.46 0.75 -0.02 0.00 -0.04 -1.22 -2.25 135.00 126.75 1pav n PRO 50 Ca 0.23 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.67 1pav n PRO 50 Cb 0.74 -1.04 -0.05 0.00 -0.04 0.00 0.00 33.50 33.12 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 -0.54 1.92 0.49 0.55 0.00 2.15 -4.36 120.51 120.72 1pav n ALA 51 Ca 0.01 -0.34 -0.20 0.00 0.00 0.00 0.00 53.44 52.91 1pav n ALA 51 Cb 0.01 0.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.15 -0.92 0.00 6.55 -0.52 -2.06 115.95 117.85 1pav h TRP 52 Ca -0.13 -0.03 0.19 0.00 0.95 0.00 0.00 58.89 59.87 1pav h TRP 52 Cb 1.19 0.38 -0.07 0.00 -0.86 0.00 0.00 29.16 29.80 1pav h TRP 52 CO 0.00 -0.71 0.60 0.97 -1.05 0.00 0.00 178.44 178.24 1pav h ILE 53 N -1.23 0.72 -1.04 1.49 -0.00 -1.82 1.09 117.51 116.72 1pav h ILE 53 Ca -0.13 -0.18 0.27 0.00 -0.00 0.00 0.00 64.86 64.82 1pav h ILE 53 Cb 0.95 0.13 -0.11 0.00 -0.00 0.00 0.00 36.82 37.79 1pav h ILE 53 CO 0.20 0.10 0.64 1.56 -0.00 0.00 0.00 178.15 180.65 1pav h GLN 54 N 0.54 0.44 0.00 2.19 7.50 -1.57 -0.68 115.11 123.53 1pav h GLN 54 Ca 0.49 -0.03 -0.38 0.00 0.50 0.00 0.00 58.65 59.23 1pav h GLN 54 Cb 1.02 -0.10 -0.07 0.00 0.05 0.00 0.00 27.48 28.38 1pav h GLN 54 CO -0.22 0.29 -2.45 0.36 -1.50 0.00 0.00 178.83 175.32 1pav n LYS 55 N -4.78 0.67 -0.24 1.46 0.00 0.77 -4.52 118.16 111.51 1pav n LYS 55 Ca 0.27 0.09 -0.12 0.00 -0.00 0.00 0.00 58.31 58.56 1pav n LYS 55 Cb 0.86 -1.52 -0.09 0.00 -0.00 0.00 0.00 35.03 34.27 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 -1.87 0.00 -5.58 0.02 0.20 -3.46 113.55 102.86 1pav h SER 56 Ca -0.57 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1pav h SER 56 Cb 2.02 0.79 0.00 0.00 0.14 0.00 0.00 62.40 65.35 1pav h SER 56 CO -0.05 -0.31 0.00 0.61 -1.14 0.00 0.00 176.83 175.94 1pav n GLY 57 N -1.30 1.90 3.63 -3.77 0.00 -0.35 -4.67 105.19 100.62 1pav n GLY 57 Ca -0.01 0.00 -0.24 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 2.25 0.40 1.61 -2.07 -1.23 0.66 119.66 121.28 1pav s GLN 58 Ca 0.00 -1.39 -0.27 0.00 -1.82 0.00 0.00 55.36 51.88 1pav s GLN 58 Cb 0.00 -2.16 -0.11 0.00 -1.09 0.00 0.00 33.01 29.65 1pav s GLN 58 CO 0.00 0.38 1.33 0.39 -1.32 0.00 0.00 175.29 176.07 1pav n GLU 59 N -0.72 2.14 -2.43 9.60 1.02 25.45 -4.19 120.64 151.50 1pav n GLU 59 Ca -0.07 0.76 -0.43 0.00 -0.02 0.00 0.00 57.16 57.40 1pav n GLU 59 Cb 0.58 -2.44 -0.02 0.00 -0.02 0.00 0.00 31.44 29.54 1pav n GLU 59 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1pav s LEU 60 N -1.67 3.74 0.00 -4.62 2.96 -1.26 0.29 118.68 118.12 1pav s LEU 60 Ca 0.58 0.95 0.06 0.00 -0.22 0.00 0.00 54.13 55.50 1pav s LEU 60 Cb -0.51 -3.54 0.11 0.00 0.50 0.00 0.00 46.19 42.75 1pav s LEU 60 CO 0.60 -1.23 0.88 0.52 -1.32 0.00 0.00 176.35 175.81 1pav n VAL 61 N 6.60 0.00 -3.69 1.68 0.31 -0.65 0.45 118.33 123.03 1pav n VAL 61 Ca 0.15 -1.83 -0.25 0.00 -0.01 0.00 0.00 64.34 62.40 1pav n VAL 61 Cb 0.47 -0.64 -0.17 0.00 -0.91 0.00 0.00 33.84 32.59 1pav n VAL 61 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1pav s GLY 62 N -4.83 0.49 -0.29 2.92 0.00 -1.26 -4.50 107.32 99.85 1pav s GLY 62 Ca 0.63 -0.37 -0.00 0.00 0.00 0.00 0.00 44.72 44.98 1pav s GLY 62 CO 0.41 1.47 0.71 0.14 0.00 0.00 0.00 173.10 175.83 1pav s VAL 63 N 2.01 -0.82 -0.05 1.40 1.01 -1.26 -4.91 120.40 117.78 1pav s VAL 63 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 1pav s VAL 63 Cb -0.15 -0.88 0.04 0.00 0.00 0.00 0.00 36.38 35.38 1pav s VAL 63 CO -0.07 0.00 0.11 -0.36 0.00 0.00 0.00 175.10 174.78 1pav s PHE 64 N 2.87 -0.10 -0.26 5.22 0.08 -1.26 -3.93 117.98 120.60 1pav s PHE 64 Ca 0.15 0.38 -0.13 0.00 0.12 0.00 0.00 56.93 57.45 1pav s PHE 64 Cb -0.10 -0.17 0.09 0.00 -0.57 0.00 0.00 43.02 42.27 1pav s PHE 64 CO -0.23 -0.16 0.61 -0.51 -0.10 0.00 0.00 175.22 174.84 1pav s ASP 65 N 1.31 -0.87 -0.88 1.36 1.01 -1.26 -5.04 116.67 112.29 1pav s ASP 65 Ca -0.07 1.39 0.00 0.00 0.71 0.00 0.00 52.55 54.58 1pav s ASP 65 Cb -0.12 1.51 0.27 0.00 1.01 0.00 0.00 42.92 45.59 1pav s ASP 65 CO -0.05 -0.23 1.04 -2.11 0.21 0.00 0.00 175.17 174.04 1pav n ARG 66 N 4.67 3.32 -0.01 8.23 0.00 -1.26 -3.59 116.66 128.02 1pav n ARG 66 Ca -0.18 -4.58 -0.00 0.00 -0.00 0.00 0.00 57.85 53.09 1pav n ARG 66 Cb 0.55 -2.39 -0.02 0.00 -0.00 0.00 0.00 32.46 30.60 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 4.42 0.00 2.89 2.85 -1.26 -4.97 115.26 120.57 1pav n ASN 67 Ca 0.26 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.73 1pav n ASN 67 Cb 0.37 0.82 0.00 0.00 1.24 0.00 0.00 39.78 42.21 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 2.62 -0.27 3.22 8.20 0.00 -1.26 -5.12 105.19 112.58 1pav n GLY 68 Ca -0.02 -0.00 -0.09 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 -1.66 -0.75 0.96 1.61 1.13 -1.24 -4.60 117.35 112.80 1pav s TYR 69 Ca 0.00 1.44 -0.16 0.00 -1.41 0.00 0.00 57.07 56.94 1pav s TYR 69 Cb 0.00 0.25 0.19 0.00 -1.10 0.00 0.00 41.96 41.30 1pav s TYR 69 CO 0.00 -0.47 1.28 -0.47 -2.51 0.00 0.00 175.55 173.38 1pav s TYR 70 N 2.59 1.73 -0.05 -3.49 5.04 41.80 -4.36 117.35 160.61 1pav s TYR 70 Ca -0.01 0.42 -0.31 0.00 -2.44 0.00 0.00 57.07 54.72 1pav s TYR 70 Cb -0.12 -3.95 0.12 0.00 0.35 0.00 0.00 41.96 38.36 1pav s TYR 70 CO -0.12 -2.62 1.24 -1.83 -1.34 0.00 0.00 175.55 170.88 1pav s GLU 71 N -5.78 0.44 0.06 4.97 -1.05 -1.24 2.14 118.70 118.23 1pav s GLU 71 Ca 0.72 -0.22 -0.05 0.00 -0.15 0.00 0.00 54.97 55.26 1pav s GLU 71 Cb -0.06 0.16 -0.02 0.00 -0.44 0.00 0.00 34.13 33.77 1pav s GLU 71 CO 0.53 -0.20 0.08 -1.50 0.95 0.00 0.00 175.26 175.12 1pav s ILE 72 N -2.49 0.16 0.11 1.83 -1.16 0.33 -4.13 121.20 115.85 1pav s ILE 72 Ca 0.13 -1.35 0.09 0.00 -0.51 0.00 0.00 60.65 59.00 1pav s ILE 72 Cb 0.03 -1.21 -0.04 0.00 0.61 0.00 0.00 42.46 41.85 1pav s ILE 72 CO -0.04 -0.74 -0.22 0.68 -2.81 0.00 0.00 174.94 171.81 1pav s VAL 73 N -3.37 1.78 -0.10 4.00 -7.23 -1.25 0.58 120.40 114.80 1pav s VAL 73 Ca 0.02 -1.57 -0.07 0.00 -1.81 0.00 0.00 61.98 58.55 1pav s VAL 73 Cb 0.03 -1.61 0.04 0.00 0.56 0.00 0.00 36.38 35.40 1pav s VAL 73 CO -0.08 -0.05 0.25 -0.04 -0.31 0.00 0.00 175.10 174.87 1pav s MET 74 N -1.93 0.24 -0.56 4.82 1.00 0.22 -1.64 119.30 121.45 1pav s MET 74 Ca 0.07 0.45 -0.17 0.00 0.00 0.00 0.00 55.69 56.04 1pav s MET 74 Cb -0.10 -0.00 0.12 0.00 0.00 0.00 0.00 34.83 34.85 1pav s MET 74 CO 0.04 -0.10 0.59 0.21 0.00 0.00 0.00 175.02 175.76 1pav s LYS 75 N 0.74 3.01 -0.48 2.03 2.20 0.85 0.30 119.74 128.40 1pav s LYS 75 Ca -0.05 -1.52 -0.45 0.00 -0.36 0.00 0.00 55.97 53.59 1pav s LYS 75 Cb -0.06 -4.28 -0.19 0.00 -1.51 0.00 0.00 37.83 31.79 1pav s LYS 75 CO -0.05 -1.42 1.58 1.63 -0.36 0.00 0.00 175.35 176.73 1pav n LYS 76 N 5.74 0.00 0.00 4.03 4.76 21.07 1.84 118.16 155.61 1pav n LYS 76 Ca -0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1pav n LYS 76 Cb 0.41 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 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 4.04 0.21 0.00 -0.18 0.31 2.53 1.86 118.33 127.10 1pav n VAL 77 Ca 0.32 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1pav n VAL 77 Cb -0.06 1.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.91 1pav n VAL 77 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80