#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 2.03 -1.26 -3.59 116.55 119.85 1pav n ASP 2 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 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 0.55 -1.92 0.00 0.00 177.20 175.83 1pav n VAL 3 N 0.35 0.00 -0.61 5.18 3.14 -1.26 -2.82 118.33 122.31 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 0.36 0.00 -1.06 0.00 0.00 33.84 33.14 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 4.07 -2.52 1.45 3.00 -1.24 -4.96 118.16 117.98 1pav n LYS 4 Ca 0.00 -2.82 -0.38 0.00 -0.00 0.00 0.00 58.31 55.11 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 -2.20 4.41 -0.32 1.64 0.04 -1.13 -4.90 135.00 132.54 1pav s PRO 5 Ca 0.50 1.65 -0.01 0.00 0.04 0.00 0.00 61.00 63.17 1pav s PRO 5 Cb 0.35 -2.87 0.06 0.00 0.04 0.00 0.00 34.50 32.09 1pav s PRO 5 CO 0.20 0.04 0.03 0.34 0.04 0.00 0.00 177.00 177.65 1pav s ASP 6 N -1.24 4.91 0.37 6.66 -1.08 -0.85 -4.03 116.67 121.42 1pav s ASP 6 Ca 0.51 -1.47 -0.14 0.00 -0.52 0.00 0.00 52.55 50.93 1pav s ASP 6 Cb -0.27 -1.71 0.05 0.00 -1.46 0.00 0.00 42.92 39.52 1pav s ASP 6 CO 0.34 -0.31 0.74 -0.60 0.52 0.00 0.00 175.17 175.86 1pav s ARG 7 N 1.20 2.17 -0.34 4.34 3.52 -1.26 -4.80 118.95 123.78 1pav s ARG 7 Ca -0.02 -1.46 -0.02 0.00 -0.13 0.00 0.00 55.73 54.10 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 -1.00 0.07 0.14 -0.81 0.00 0.00 175.30 173.68 1pav s VAL 8 N -2.49 3.02 -0.22 7.11 -7.23 -1.26 -4.24 120.40 115.09 1pav s VAL 8 Ca 0.17 -1.69 -0.03 0.00 -1.81 0.00 0.00 61.98 58.61 1pav s VAL 8 Cb -0.05 -2.89 0.11 0.00 0.56 0.00 0.00 36.38 34.11 1pav s VAL 8 CO 0.12 -0.34 0.29 -0.51 -0.31 0.00 0.00 175.10 174.35 1pav s ILE 9 N 1.18 -0.45 -0.17 -0.62 2.07 -0.58 -4.98 121.20 117.64 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 -0.03 -0.17 0.43 1.51 -1.91 0.00 0.00 174.94 174.78 1pav s ASP 10 N 2.43 -0.51 -0.09 4.50 -4.77 -1.24 0.32 116.67 117.31 1pav s ASP 10 Ca 0.10 0.91 -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 42.54 1pav s ASP 10 CO -0.14 -0.18 -0.03 0.00 0.70 0.00 0.00 175.17 175.53 1pav s ALA 11 N 0.99 0.96 -0.47 2.11 0.00 8.46 -4.75 121.76 129.06 1pav s ALA 11 Ca -0.06 -0.32 -0.10 0.00 0.00 0.00 0.00 51.96 51.47 1pav s ALA 11 Cb -0.06 -0.83 0.11 0.00 0.00 0.00 0.00 23.12 22.33 1pav s ALA 11 CO -0.08 -0.48 0.35 1.03 0.00 0.00 0.00 175.76 176.58 1pav s ARG 12 N 1.86 2.59 0.00 0.00 3.00 -1.26 -1.28 118.95 123.86 1pav s ARG 12 Ca 0.05 -1.68 0.00 0.00 0.00 0.00 0.00 55.73 54.09 1pav s ARG 12 Cb -0.13 -3.95 0.00 0.00 0.00 0.00 0.00 34.95 30.87 1pav s ARG 12 CO -0.07 -1.16 0.00 0.41 0.00 0.00 0.00 175.30 174.49 1pav n GLY 13 N 4.97 0.51 0.66 -3.53 0.00 -1.26 -4.75 105.19 101.78 1pav n GLY 13 Ca -0.09 -0.89 0.10 0.00 0.00 0.00 0.00 46.02 45.14 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 1.71 1.96 0.00 1.61 2.88 -1.26 -4.49 113.62 116.03 1pav n SER 14 Ca 0.00 -1.80 0.00 0.00 -1.33 0.00 0.00 58.87 55.74 1pav n SER 14 Cb 0.11 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 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 0.53 -0.11 0.00 0.66 0.18 -1.26 3.91 117.16 121.06 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 0.36 0.10 0.00 0.00 -0.38 0.00 0.00 39.34 39.42 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 2.83 0.00 0.00 0.04 0.58 0.27 135.00 138.71 1pav s PRO 17 Ca 0.00 0.92 0.00 0.00 0.04 0.00 0.00 61.00 61.96 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 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.28 1pav n GLY 18 N -2.00 0.00 0.00 0.56 0.00161.04 0.71 105.19 265.50 1pav n GLY 18 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.70 0.21 -0.57 1.61 -0.04 -0.36 -3.54 135.00 131.62 1pav n PRO 19 Ca 0.00 0.09 0.47 0.00 -0.04 0.00 0.00 63.50 64.02 1pav n PRO 19 Cb 0.00 -1.50 0.79 0.00 -0.04 0.00 0.00 33.50 32.75 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 2.43 3.36 115.31 129.10 1pav h LEU 20 Ca 0.00 0.01 -0.15 0.00 -0.12 0.00 0.00 57.88 57.61 1pav h LEU 20 Cb 0.27 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.18 1pav h LEU 20 CO 0.00 -0.01 -1.30 0.24 -0.62 0.00 0.00 178.44 176.76 1pav h MET 21 N 0.01 0.00 -1.22 1.25 2.86 -1.77 -3.24 114.93 112.81 1pav h MET 21 Ca 0.81 0.00 0.35 0.00 -2.06 0.00 0.00 59.70 58.80 1pav h MET 21 Cb 3.22 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 34.81 1pav h MET 21 CO -0.03 0.29 0.84 0.93 1.06 0.00 0.00 176.91 180.01 1pav h GLU 22 N 0.00 0.12 -0.06 1.72 4.39 0.60 0.93 114.58 122.28 1pav h GLU 22 Ca -0.14 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.46 1pav h GLU 22 Cb 1.53 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.16 1pav h GLU 22 CO 0.05 0.08 -0.34 -0.07 -1.16 0.00 0.00 179.01 177.57 1pav h LEU 23 N 0.12 0.41 -1.02 1.33 4.07 -1.66 0.23 115.31 118.79 1pav h LEU 23 Ca 0.63 -0.66 -0.05 0.00 0.08 0.00 0.00 57.88 57.88 1pav h LEU 23 Cb 2.19 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 43.79 1pav h LEU 23 CO -0.14 1.00 0.14 0.16 -1.08 0.00 0.00 178.44 178.52 1pav h ILE 24 N -0.16 1.23 0.00 1.22 -0.00 0.38 -0.33 117.51 119.84 1pav h ILE 24 Ca -0.02 -0.81 0.00 0.00 -0.00 0.00 0.00 64.86 64.02 1pav h ILE 24 Cb 1.00 0.65 0.00 0.00 -0.00 0.00 0.00 36.82 38.47 1pav h ILE 24 CO 0.07 0.30 -0.10 2.29 -0.00 0.00 0.00 178.15 180.72 1pav n LYS 25 N -4.28 0.18 -0.01 0.16 -0.00 0.26 -3.48 118.16 111.00 1pav n LYS 25 Ca 0.04 0.13 -0.16 0.00 -0.00 0.00 0.00 58.31 58.32 1pav n LYS 25 Cb 0.22 -1.70 -0.12 0.00 -0.00 0.00 0.00 35.03 33.44 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 2.67 0.02 -1.31 0.58 0.00 0.11 -3.20 119.26 118.13 1pav h ALA 26 Ca 0.00 -0.53 0.41 0.00 0.00 0.00 0.00 54.91 54.79 1pav h ALA 26 Cb 0.67 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.37 1pav h ALA 26 CO 0.00 0.19 0.86 0.10 0.00 0.00 0.00 179.25 180.40 1pav h TYR 27 N -0.43 0.47 0.00 0.00 -0.00 -1.30 3.73 116.97 119.44 1pav h TYR 27 Ca -0.06 0.02 -0.11 0.00 0.00 0.00 0.00 58.73 58.59 1pav h TYR 27 Cb 1.18 -0.12 -0.02 0.00 0.00 0.00 0.00 36.73 37.77 1pav h TYR 27 CO 0.18 -0.13 -0.51 0.87 -0.00 0.00 0.00 178.16 178.57 1pav h LYS 28 N 0.13 0.00 0.03 0.10 1.57 -1.71 -3.24 116.57 113.44 1pav h LYS 28 Ca 0.77 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.45 1pav h LYS 28 Cb 2.46 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.77 1pav h LYS 28 CO -0.34 0.51 -0.42 0.37 -0.57 0.00 0.00 179.45 179.00 1pav h GLN 29 N 0.00 0.23 0.00 3.15 5.75 0.68 -3.46 115.11 121.46 1pav h GLN 29 Ca -0.01 -0.29 0.00 0.00 -0.15 0.00 0.00 58.65 58.21 1pav h GLN 29 Cb 1.19 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.84 1pav h GLN 29 CO 0.07 1.04 0.00 0.00 -2.65 0.00 0.00 178.83 177.29 1pav n ALA 30 N -2.58 0.00 -2.92 3.38 0.00 0.99 -5.11 120.51 114.27 1pav n ALA 30 Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.22 1pav n ALA 30 Cb 0.61 0.00 -0.07 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 1.70 0.89 0.47 0.00 -2.85 -1.26 -4.89 119.74 113.80 1pav s LYS 31 Ca 0.00 -0.64 -0.22 0.00 -1.00 0.00 0.00 55.97 54.11 1pav s LYS 31 Cb 0.00 0.38 -0.10 0.00 -2.06 0.00 0.00 37.83 36.05 1pav s LYS 31 CO 0.00 -0.31 0.80 1.55 0.10 0.00 0.00 175.35 177.49 1pav n VAL 32 N 0.23 2.41 -0.95 1.79 3.14 -1.25 -0.79 118.33 122.90 1pav n VAL 32 Ca -0.17 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.71 1pav n VAL 32 Cb 0.61 -0.91 0.00 0.00 -1.06 0.00 0.00 33.84 32.48 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 1.46 0.52 3.87 7.55 0.00 38.30 -4.62 105.19 152.27 1pav n GLY 33 Ca 0.11 0.00 -0.26 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 -0.40 2.27 0.04 1.61 2.12 0.69 -4.72 118.70 120.31 1pav s GLU 34 Ca 0.00 -1.99 0.00 0.00 0.36 0.00 0.00 54.97 53.35 1pav s GLU 34 Cb 0.00 -2.06 -0.03 0.00 0.26 0.00 0.00 34.13 32.30 1pav s GLU 34 CO 0.00 -0.49 -0.04 0.14 -0.54 0.00 0.00 175.26 174.32 1pav s VAL 35 N -2.73 0.29 -0.10 3.70 -7.23 -1.20 1.58 120.40 114.71 1pav s VAL 35 Ca 0.34 -1.30 -0.09 0.00 -1.81 0.00 0.00 61.98 59.12 1pav s VAL 35 Cb -0.01 -0.82 0.03 0.00 0.56 0.00 0.00 36.38 36.13 1pav s VAL 35 CO 0.20 -0.65 0.26 0.27 -0.31 0.00 0.00 175.10 174.88 1pav s ILE 36 N -2.34 -0.00 -0.16 -0.62 -4.36 1.33 -2.00 121.20 113.06 1pav s ILE 36 Ca -0.06 0.01 -0.06 0.00 -0.26 0.00 0.00 60.65 60.28 1pav s ILE 36 Cb -0.04 -0.37 -0.04 0.00 1.25 0.00 0.00 42.46 43.26 1pav s ILE 36 CO -0.03 0.00 0.06 -0.94 0.24 0.00 0.00 174.94 174.27 1pav s SER 37 N 0.24 5.62 0.37 4.36 1.04 -1.26 0.23 113.70 124.29 1pav s SER 37 Ca -0.01 0.13 0.08 0.00 0.48 0.00 0.00 55.95 56.63 1pav s SER 37 Cb -0.03 -1.89 -0.07 0.00 0.10 0.00 0.00 66.02 64.13 1pav s SER 37 CO -0.00 0.23 -0.03 0.54 0.98 0.00 0.00 173.24 174.96 1pav s VAL 38 N 0.00 2.02 0.15 5.02 0.11 1.46 -1.53 120.40 127.64 1pav s VAL 38 Ca 0.06 -2.09 -0.13 0.00 -2.93 0.00 0.00 61.98 56.88 1pav s VAL 38 Cb -0.12 -2.80 0.01 0.00 -1.53 0.00 0.00 36.38 31.94 1pav s VAL 38 CO 0.01 -0.10 0.37 -0.72 -3.33 0.00 0.00 175.10 171.32 1pav s TYR 39 N -2.73 0.08 0.20 1.54 1.13 0.97 1.00 117.35 119.54 1pav s TYR 39 Ca 0.34 -0.44 -0.21 0.00 -1.41 0.00 0.00 57.07 55.35 1pav s TYR 39 Cb 0.06 0.15 0.08 0.00 -1.10 0.00 0.00 41.96 41.15 1pav s TYR 39 CO 0.17 -0.75 1.03 0.45 -2.51 0.00 0.00 175.55 173.93 1pav n SER 40 N -0.23 -1.79 0.00 -0.18 2.88 85.05 1.12 113.62 200.47 1pav n SER 40 Ca -0.11 -1.96 0.00 0.00 -1.33 0.00 0.00 58.87 55.47 1pav n SER 40 Cb 0.63 2.91 0.00 0.00 -0.75 0.00 0.00 64.21 67.00 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 -0.72 0.00 -0.36 2.46 -1.04 -0.40 2.01 114.28 116.23 1pav n THR 41 Ca -0.03 0.00 0.30 0.00 -2.04 0.00 0.00 64.05 62.29 1pav n THR 41 Cb 0.59 -0.28 0.62 0.00 -1.82 0.00 0.00 70.33 69.44 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 0.25 -0.02 8.00 -0.00 -1.86 -3.44 116.42 119.36 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 0.30 0.03 -0.00 0.00 -0.00 0.00 0.00 39.33 39.66 1pav h ASP 42 CO 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 179.24 179.24 1pav n ALA 43 N -2.59 -0.00 -0.09 -0.78 0.00 -1.26 -4.82 120.51 110.97 1pav n ALA 43 Ca 0.28 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.61 1pav n ALA 43 Cb 1.14 -0.52 -0.09 0.00 0.00 0.00 0.00 19.45 19.98 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 -2.24 -0.35 0.27 0.00 0.00 -1.24 -4.50 105.19 97.13 1pav n GLY 44 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 45.86 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 1.22 -1.27 2.61 1.03 1.67 1.71 112.91 119.87 1pav h THR 45 Ca -0.41 -0.93 0.37 0.00 -0.01 0.00 0.00 66.41 65.43 1pav h THR 45 Cb 1.69 1.03 -0.08 0.00 -1.07 0.00 0.00 68.15 69.72 1pav h THR 45 CO -0.05 0.31 0.87 0.11 -0.01 0.00 0.00 175.52 176.76 1pav h LYS 46 N 0.52 0.13 0.01 0.00 1.57 -1.75 41.22 116.57 158.26 1pav h LYS 46 Ca 0.10 -0.01 -0.25 0.00 -1.87 0.00 0.00 60.65 58.62 1pav h LYS 46 Cb 0.42 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1pav h LYS 46 CO 0.02 0.08 -1.38 0.36 -0.57 0.00 0.00 179.45 177.97 1pav n LYS 47 N -4.39 0.58 0.04 3.15 0.00 -0.86 -4.19 118.16 112.48 1pav n LYS 47 Ca 0.30 0.54 -0.14 0.00 -0.00 0.00 0.00 58.31 59.01 1pav n LYS 47 Cb 1.28 -1.73 -0.14 0.00 -0.00 0.00 0.00 35.03 34.44 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 -0.92 0.26 -0.95 -5.58 3.32 0.47 -3.34 116.42 109.68 1pav h ASP 48 Ca -0.37 -0.39 0.25 0.00 0.02 0.00 0.00 57.03 56.54 1pav h ASP 48 Cb 1.38 -0.08 -0.17 0.00 0.22 0.00 0.00 39.33 40.67 1pav h ASP 48 CO -0.20 1.33 0.03 0.00 -1.72 0.00 0.00 179.24 178.68 1pav h ALA 49 N 0.63 1.11 0.00 3.45 0.00 10.46 5.69 119.26 140.59 1pav h ALA 49 Ca -0.24 0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1pav h ALA 49 Cb 1.99 0.56 0.00 0.00 0.00 0.00 0.00 17.79 20.34 1pav h ALA 49 CO 0.13 -0.54 0.00 -0.35 0.00 0.00 0.00 179.25 178.49 1pav n PRO 50 N -5.46 0.75 -0.04 0.00 -0.04 -1.17 -2.28 135.00 126.76 1pav n PRO 50 Ca 0.22 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.65 1pav n PRO 50 Cb 0.71 -1.31 -0.09 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.81 1.93 -0.03 0.55 0.00 1.82 -4.35 120.51 119.61 1pav n ALA 51 Ca 0.11 -0.60 -0.10 0.00 0.00 0.00 0.00 53.44 52.84 1pav n ALA 51 Cb 0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.97 -0.96 0.00 6.55 -0.08 0.24 115.95 120.72 1pav h TRP 52 Ca -0.22 0.05 0.10 0.00 0.95 0.00 0.00 58.89 59.77 1pav h TRP 52 Cb 1.36 0.46 -0.07 0.00 -0.86 0.00 0.00 29.16 30.05 1pav h TRP 52 CO 0.00 -0.41 0.62 0.97 -1.05 0.00 0.00 178.44 178.56 1pav h ILE 53 N -0.39 0.97 -1.13 1.49 -0.00 -1.74 0.38 117.51 117.09 1pav h ILE 53 Ca 0.11 -0.34 0.43 0.00 -0.00 0.00 0.00 64.86 65.06 1pav h ILE 53 Cb 0.56 -0.11 -0.16 0.00 -0.00 0.00 0.00 36.82 37.11 1pav h ILE 53 CO -0.41 0.18 0.66 -0.61 -0.00 0.00 0.00 178.15 177.98 1pav h GLN 54 N 0.99 0.03 0.00 2.19 4.15 -0.73 0.15 115.11 121.90 1pav h GLN 54 Ca 0.45 -0.00 -0.39 0.00 0.77 0.00 0.00 58.65 59.49 1pav h GLN 54 Cb 0.39 -0.01 -0.07 0.00 0.21 0.00 0.00 27.48 28.01 1pav h GLN 54 CO -0.21 0.02 -2.46 1.63 -1.93 0.00 0.00 178.83 175.88 1pav n LYS 55 N -5.05 0.65 -0.30 1.69 4.01 -0.28 -4.53 118.16 114.34 1pav n LYS 55 Ca 0.38 0.14 -0.12 0.00 -0.51 0.00 0.00 58.31 58.20 1pav n LYS 55 Cb 1.36 -1.51 -0.10 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 -2.05 0.00 4.39 0.02 0.22 -3.46 113.55 112.68 1pav h SER 56 Ca -0.57 0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1pav h SER 56 Cb 1.91 0.88 0.00 0.00 0.14 0.00 0.00 62.40 65.33 1pav h SER 56 CO -0.08 -0.30 0.00 0.61 -1.14 0.00 0.00 176.83 175.91 1pav n GLY 57 N -1.30 1.91 3.77 -3.77 0.00 0.18 -4.69 105.19 101.29 1pav n GLY 57 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 2.30 0.36 1.61 0.00 -1.24 0.56 119.66 123.26 1pav s GLN 58 Ca 0.00 -1.77 -0.28 0.00 -0.00 0.00 0.00 55.36 53.31 1pav s GLN 58 Cb 0.00 -2.08 -0.09 0.00 0.00 0.00 0.00 33.01 30.84 1pav s GLN 58 CO 0.00 -0.14 1.26 -1.21 0.00 0.00 0.00 175.29 175.20 1pav s GLU 59 N -3.96 4.24 -0.45 9.60 0.41 27.35 -4.28 118.70 151.61 1pav s GLU 59 Ca 0.43 2.09 -0.29 0.00 -0.41 0.00 0.00 54.97 56.79 1pav s GLU 59 Cb 0.02 -2.94 0.02 0.00 -1.78 0.00 0.00 34.13 29.45 1pav s GLU 59 CO 0.24 -0.24 1.34 -1.17 -0.49 0.00 0.00 175.26 174.94 1pav s LEU 60 N -2.03 3.57 0.19 1.80 2.96 -1.26 1.05 118.68 124.96 1pav s LEU 60 Ca 0.52 0.67 -0.03 0.00 -0.22 0.00 0.00 54.13 55.06 1pav s LEU 60 Cb -0.37 -3.49 -0.05 0.00 0.50 0.00 0.00 46.19 42.79 1pav s LEU 60 CO 0.48 -1.43 0.41 -0.69 -1.32 0.00 0.00 176.35 173.81 1pav s VAL 61 N 5.28 5.16 -0.37 1.68 1.01 -0.59 -4.05 120.40 128.52 1pav s VAL 61 Ca 0.57 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 62.36 1pav s VAL 61 Cb -0.12 -3.69 0.07 0.00 0.00 0.00 0.00 36.38 32.64 1pav s VAL 61 CO 0.32 -0.12 0.14 -0.83 0.00 0.00 0.00 175.10 174.61 1pav s GLY 62 N -2.89 1.89 -0.29 4.51 0.00 -1.26 -4.34 107.32 104.93 1pav s GLY 62 Ca 0.40 -2.04 0.05 0.00 0.00 0.00 0.00 44.72 43.13 1pav s GLY 62 CO 0.27 0.87 0.63 0.14 0.00 0.00 0.00 173.10 175.01 1pav s VAL 63 N 1.31 -0.94 -0.05 1.40 1.01 -1.26 -4.94 120.40 116.92 1pav s VAL 63 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 1pav s VAL 63 Cb -0.21 -0.93 0.04 0.00 0.00 0.00 0.00 36.38 35.27 1pav s VAL 63 CO -0.00 0.00 0.10 -0.36 0.00 0.00 0.00 175.10 174.84 1pav s PHE 64 N 2.83 -0.08 -0.26 5.22 0.08 -1.25 -3.69 117.98 120.83 1pav s PHE 64 Ca 0.11 0.35 -0.14 0.00 0.12 0.00 0.00 56.93 57.37 1pav s PHE 64 Cb -0.09 -0.16 0.08 0.00 -0.57 0.00 0.00 43.02 42.27 1pav s PHE 64 CO -0.26 -0.14 0.62 0.34 -0.10 0.00 0.00 175.22 175.68 1pav s ASP 65 N 1.23 -0.86 -0.87 1.36 -1.08 -1.26 -5.02 116.67 110.16 1pav s ASP 65 Ca -0.08 1.38 0.00 0.00 -0.52 0.00 0.00 52.55 53.33 1pav s ASP 65 Cb -0.12 1.32 0.27 0.00 -1.46 0.00 0.00 42.92 42.92 1pav s ASP 65 CO -0.05 -0.23 1.05 0.54 0.52 0.00 0.00 175.17 177.00 1pav n ARG 66 N 4.40 3.33 -0.00 4.34 3.00 -1.26 -3.38 116.66 127.09 1pav n ARG 66 Ca -0.20 -4.59 0.00 0.00 -0.01 0.00 0.00 57.85 53.06 1pav n ARG 66 Cb 0.57 -2.39 -0.00 0.00 0.00 0.00 0.00 32.46 30.64 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 4.87 0.00 0.55 5.15 -1.26 -4.95 115.26 120.99 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 1.02 0.00 0.00 -0.53 0.00 0.00 39.78 40.64 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 2.47 0.17 3.61 8.20 0.00 -1.26 -5.12 105.19 113.26 1pav n GLY 68 Ca -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.08 -1.26 0.37 1.61 1.13 -1.22 -4.62 117.35 112.28 1pav s TYR 69 Ca 0.00 2.17 -0.21 0.00 -1.41 0.00 0.00 57.07 57.62 1pav s TYR 69 Cb 0.00 0.75 -0.10 0.00 -1.10 0.00 0.00 41.96 41.51 1pav s TYR 69 CO 0.00 -0.63 0.89 1.52 -2.51 0.00 0.00 175.55 174.82 1pav s TYR 70 N 2.84 3.44 0.16 -3.49 -0.85 31.25 -4.24 117.35 146.45 1pav s TYR 70 Ca -0.05 1.56 -0.10 0.00 -0.52 0.00 0.00 57.07 57.95 1pav s TYR 70 Cb -0.11 -2.79 -0.00 0.00 0.38 0.00 0.00 41.96 39.44 1pav s TYR 70 CO -0.19 0.04 0.31 -1.83 -1.52 0.00 0.00 175.55 172.36 1pav s GLU 71 N -2.79 1.16 -0.01 -3.49 -1.05 -1.24 3.04 118.70 114.32 1pav s GLU 71 Ca 0.56 -1.10 -0.05 0.00 -0.15 0.00 0.00 54.97 54.24 1pav s GLU 71 Cb -0.12 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 33.97 1pav s GLU 71 CO 0.17 -0.43 0.10 0.42 0.95 0.00 0.00 175.26 176.47 1pav s ILE 72 N -3.94 0.06 0.22 1.83 1.09 0.28 -3.91 121.20 116.84 1pav s ILE 72 Ca 0.14 -0.52 0.07 0.00 -1.10 0.00 0.00 60.65 59.25 1pav s ILE 72 Cb 0.03 -0.32 -0.04 0.00 -1.06 0.00 0.00 42.46 41.06 1pav s ILE 72 CO -0.02 -0.28 0.09 0.68 -0.10 0.00 0.00 174.94 175.31 1pav s VAL 73 N -0.95 4.02 -0.12 2.92 -7.23 -1.24 0.43 120.40 118.23 1pav s VAL 73 Ca -0.10 -1.49 -0.08 0.00 -1.81 0.00 0.00 61.98 58.49 1pav s VAL 73 Cb -0.06 -3.11 0.04 0.00 0.56 0.00 0.00 36.38 33.81 1pav s VAL 73 CO 0.01 -0.26 0.30 -0.04 -0.31 0.00 0.00 175.10 174.80 1pav s MET 74 N -3.46 0.31 -0.54 4.82 1.00 0.62 -1.54 119.30 120.51 1pav s MET 74 Ca 0.31 0.51 -0.16 0.00 0.00 0.00 0.00 55.69 56.35 1pav s MET 74 Cb -0.08 0.04 0.13 0.00 0.00 0.00 0.00 34.83 34.91 1pav s MET 74 CO 0.22 -0.10 0.51 0.21 0.00 0.00 0.00 175.02 175.85 1pav s LYS 75 N 0.73 2.99 -0.42 2.03 2.20 1.12 0.40 119.74 128.79 1pav s LYS 75 Ca -0.05 -1.67 -0.43 0.00 -0.36 0.00 0.00 55.97 53.46 1pav s LYS 75 Cb -0.06 -4.29 -0.17 0.00 -1.51 0.00 0.00 37.83 31.80 1pav s LYS 75 CO -0.05 -1.33 1.91 1.63 -0.36 0.00 0.00 175.35 177.15 1pav n LYS 76 N 5.31 0.44 -0.13 4.03 4.76 17.81 1.90 118.16 152.28 1pav n LYS 76 Ca -0.14 0.15 0.01 0.00 -2.87 0.00 0.00 58.31 55.46 1pav n LYS 76 Cb 0.40 -1.80 0.02 0.00 -1.84 0.00 0.00 35.03 31.81 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 5.49 0.48 1.82 -0.18 0.24 1.66 2.19 118.33 130.02 1pav n VAL 77 Ca 0.40 -0.53 0.15 0.00 -2.04 0.00 0.00 64.34 62.32 1pav n VAL 77 Cb 0.04 0.60 0.79 0.00 -1.47 0.00 0.00 33.84 33.80 1pav n VAL 77 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98