#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edp s SER 2 N 0.00 -0.65 0.02 1.61 1.04 -1.26 -5.13 113.70 109.33 2edp s SER 2 Ca 0.00 1.21 -0.36 0.00 0.48 0.00 0.00 55.95 57.27 2edp s SER 2 Cb 0.00 1.21 -0.15 0.00 0.10 0.00 0.00 66.02 67.18 2edp s SER 2 CO 0.00 -0.25 1.53 -1.54 0.98 0.00 0.00 173.24 173.96 2edp n SER 3 N 2.38 2.34 -2.98 7.02 3.41 -1.26 -4.92 113.62 119.62 2edp n SER 3 Ca -0.14 1.09 0.04 0.00 -0.26 0.00 0.00 58.87 59.60 2edp n SER 3 Cb 0.55 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 2edp n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2edp s GLY 4 N 1.54 -1.12 -0.02 5.00 0.00 -1.26 -5.16 107.32 106.29 2edp s GLY 4 Ca 0.86 2.06 0.04 0.00 0.00 0.00 0.00 44.72 47.68 2edp s GLY 4 CO 0.49 4.30 -0.13 -0.45 0.00 0.00 0.00 173.10 177.30 2edp s SER 5 N 2.62 1.65 -0.09 1.64 0.15 -1.26 -5.13 113.70 113.27 2edp s SER 5 Ca 0.26 -0.26 -0.14 0.00 0.70 0.00 0.00 55.95 56.50 2edp s SER 5 Cb 0.02 -0.35 -0.05 0.00 -1.71 0.00 0.00 66.02 63.93 2edp s SER 5 CO -0.20 0.13 0.36 -0.44 1.20 0.00 0.00 173.24 174.29 2edp s SER 6 N -0.05 6.62 -0.40 5.45 0.01 -1.26 -4.99 113.70 119.08 2edp s SER 6 Ca -0.00 0.73 0.10 0.00 1.31 0.00 0.00 55.95 58.09 2edp s SER 6 Cb -0.08 -2.22 0.38 0.00 0.21 0.00 0.00 66.02 64.31 2edp s SER 6 CO 0.01 0.19 1.23 0.61 0.41 0.00 0.00 173.24 175.68 2edp n GLY 7 N 2.67 1.29 3.12 3.44 0.00 -1.26 -5.06 105.19 109.39 2edp n GLY 7 Ca -0.12 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 2edp n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2edp s GLY 8 N -1.51 2.76 0.05 -0.02 0.00 -1.26 -5.06 107.32 102.28 2edp s GLY 8 Ca 0.23 -3.52 0.04 0.00 0.00 0.00 0.00 44.72 41.48 2edp s GLY 8 CO -0.06 1.15 -0.02 -0.45 0.00 0.00 0.00 173.10 173.72 2edp s SER 9 N 0.44 4.95 0.01 1.64 0.15 -1.26 -5.13 113.70 114.50 2edp s SER 9 Ca 0.21 -0.14 -0.12 0.00 0.70 0.00 0.00 55.95 56.61 2edp s SER 9 Cb -0.14 -1.20 0.01 0.00 -1.71 0.00 0.00 66.02 62.99 2edp s SER 9 CO -0.07 0.22 0.24 -0.36 1.20 0.00 0.00 173.24 174.47 2edp s PHE 10 N -1.19 -0.06 -0.10 3.44 0.40 -1.26 -4.53 117.98 114.67 2edp s PHE 10 Ca 0.22 0.01 0.03 0.00 -0.60 0.00 0.00 56.93 56.59 2edp s PHE 10 Cb -0.12 0.03 0.01 0.00 0.51 0.00 0.00 43.02 43.46 2edp s PHE 10 CO 0.14 -0.39 -0.19 -1.14 0.70 0.00 0.00 175.22 174.34 2edp s GLN 11 N -1.80 2.54 -0.37 0.44 0.74 -1.21 -4.99 119.66 115.02 2edp s GLN 11 Ca -0.11 -0.69 -0.14 0.00 0.05 0.00 0.00 55.36 54.47 2edp s GLN 11 Cb -0.04 -2.02 -0.00 0.00 1.10 0.00 0.00 33.01 32.04 2edp s GLN 11 CO 0.01 0.06 0.31 0.71 -0.55 0.00 0.00 175.29 175.82 2edp s TYR 12 N 0.64 3.22 -0.59 1.67 1.51 -1.26 -2.10 117.35 120.44 2edp s TYR 12 Ca -0.13 -0.27 -0.13 0.00 -1.01 0.00 0.00 57.07 55.52 2edp s TYR 12 Cb -0.16 -2.59 0.15 0.00 -0.11 0.00 0.00 41.96 39.24 2edp s TYR 12 CO 0.04 -0.47 0.52 0.08 -1.11 0.00 0.00 175.55 174.61 2edp s VAL 13 N 1.83 5.00 -0.55 0.71 1.01 0.28 -4.91 120.40 123.77 2edp s VAL 13 Ca 0.08 -1.86 -0.27 0.00 0.00 0.00 0.00 61.98 59.93 2edp s VAL 13 Cb -0.18 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 2edp s VAL 13 CO 0.11 -0.89 1.82 -2.16 0.00 0.00 0.00 175.10 173.99 2edp s PRO 14 N 1.14 2.80 -0.72 2.72 0.04 -1.26 -2.76 135.00 136.96 2edp s PRO 14 Ca 0.08 0.77 -0.24 0.00 0.04 0.00 0.00 61.00 61.64 2edp s PRO 14 Cb -0.24 -4.33 0.06 0.00 0.04 0.00 0.00 34.50 30.02 2edp s PRO 14 CO -0.01 -2.51 1.12 0.08 0.04 0.00 0.00 177.00 175.71 2edp s VAL 15 N 8.48 4.10 -0.43 -0.36 1.01 0.33 -4.89 120.40 128.64 2edp s VAL 15 Ca 0.69 -0.16 -0.19 0.00 0.00 0.00 0.00 61.98 62.33 2edp s VAL 15 Cb -0.14 -4.80 0.02 0.00 0.00 0.00 0.00 36.38 31.46 2edp s VAL 15 CO 0.24 -1.64 0.51 -1.58 0.00 0.00 0.00 175.10 172.63 2edp s GLN 16 N 4.67 3.16 0.70 2.72 0.74 -1.26 -2.22 119.66 128.18 2edp s GLN 16 Ca 0.29 -0.62 -0.06 0.00 0.05 0.00 0.00 55.36 55.02 2edp s GLN 16 Cb -0.12 -3.96 0.07 0.00 1.10 0.00 0.00 33.01 30.10 2edp s GLN 16 CO 0.10 -0.91 1.00 -0.51 -0.55 0.00 0.00 175.29 174.42 2edp s LEU 17 N 2.38 2.88 -0.29 3.68 1.43 0.95 -4.93 118.68 124.79 2edp s LEU 17 Ca 0.16 0.31 -0.14 0.00 -1.03 0.00 0.00 54.13 53.42 2edp s LEU 17 Cb -0.16 -2.92 0.10 0.00 0.03 0.00 0.00 46.19 43.24 2edp s LEU 17 CO 0.16 -1.63 0.69 -1.10 0.23 0.00 0.00 176.35 174.69 2edp s GLN 18 N -5.21 0.65 0.00 1.70 -0.21 -1.26 -3.43 119.66 111.90 2edp s GLN 18 Ca 0.61 1.29 0.00 0.00 0.02 0.00 0.00 55.36 57.28 2edp s GLN 18 Cb -0.10 0.39 0.00 0.00 1.00 0.00 0.00 33.01 34.31 2edp s GLN 18 CO 0.44 -0.16 0.00 0.41 -2.12 0.00 0.00 175.29 173.86 2edp n GLY 19 N 4.70 2.82 0.00 3.09 0.00 0.27 -5.02 105.19 111.05 2edp n GLY 19 Ca -0.17 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2edp n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2edp n GLY 20 N 0.00 2.45 3.56 -0.02 0.00 -0.92 -4.86 105.19 105.40 2edp n GLY 20 Ca 0.00 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 2edp n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2edp n ALA 21 N 1.36 -1.93 -1.77 4.61 0.00 -1.26 -4.61 120.51 116.91 2edp n ALA 21 Ca 0.00 -0.88 -0.35 0.00 0.00 0.00 0.00 53.44 52.21 2edp n ALA 21 Cb 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.37 2edp n ALA 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2edp s PRO 22 N -4.49 3.34 -0.23 0.00 0.04 -1.26 -5.13 135.00 127.27 2edp s PRO 22 Ca 0.68 1.60 -0.17 0.00 0.04 0.00 0.00 61.00 63.14 2edp s PRO 22 Cb -0.24 -2.00 -0.14 0.00 0.04 0.00 0.00 34.50 32.15 2edp s PRO 22 CO 0.62 -0.86 -0.08 0.91 0.04 0.00 0.00 177.00 177.64 2edp n TRP 23 N -1.33 0.56 0.00 0.56 7.02 -1.26 -4.53 117.44 118.45 2edp n TRP 23 Ca 0.12 0.24 0.00 0.00 -1.02 0.00 0.00 57.50 56.84 2edp n TRP 23 Cb 0.51 -1.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.40 2edp n TRP 23 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2edp n GLY 24 N 1.38 0.66 3.36 6.99 0.00 -1.26 0.33 105.19 116.64 2edp n GLY 24 Ca -0.38 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 2edp n GLY 24 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2edp s PHE 25 N -0.71 -0.49 0.40 1.61 -0.12 -1.26 -0.46 117.98 116.95 2edp s PHE 25 Ca 0.00 1.18 0.05 0.00 -0.05 0.00 0.00 56.93 58.11 2edp s PHE 25 Cb 0.00 0.18 -0.02 0.00 -0.63 0.00 0.00 43.02 42.54 2edp s PHE 25 CO 0.00 -0.26 0.17 0.95 -0.05 0.00 0.00 175.22 176.02 2edp s THR 26 N 0.12 0.43 0.21 -4.49 -4.23 0.17 -4.97 115.64 102.88 2edp s THR 26 Ca -0.01 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.50 2edp s THR 26 Cb -0.03 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 2edp s THR 26 CO 0.01 0.00 0.10 -0.76 -0.54 0.00 0.00 174.62 173.43 2edp s LEU 27 N -3.58 1.46 0.13 4.79 1.43 -1.26 -2.24 118.68 119.42 2edp s LEU 27 Ca 0.26 -1.35 -0.11 0.00 -1.03 0.00 0.00 54.13 51.90 2edp s LEU 27 Cb 0.02 0.22 0.01 0.00 0.03 0.00 0.00 46.19 46.47 2edp s LEU 27 CO 0.17 -0.77 0.30 -1.59 0.23 0.00 0.00 176.35 174.69 2edp s LYS 28 N -4.09 1.05 5.54 1.70 -2.85 -1.16 -4.60 119.74 115.33 2edp s LYS 28 Ca 0.36 -0.97 0.00 0.00 -1.00 0.00 0.00 55.97 54.36 2edp s LYS 28 Cb 0.07 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.24 2edp s LYS 28 CO 0.11 -0.38 0.00 0.41 0.10 0.00 0.00 175.35 175.58 2edp n GLY 29 N -0.18 0.80 0.00 0.59 0.00 -1.26 -3.25 105.19 101.89 2edp n GLY 29 Ca -0.12 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2edp n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2edp n GLY 30 N 0.00 2.55 0.59 -0.02 0.00 0.11 -4.59 105.19 103.82 2edp n GLY 30 Ca 0.00 -1.93 0.43 0.00 0.00 0.00 0.00 46.02 44.52 2edp n GLY 30 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2edp h LEU 31 N 0.00 0.08 -0.33 0.99 8.10 -1.47 0.14 115.31 122.82 2edp h LEU 31 Ca 0.00 0.03 0.07 0.00 0.11 0.00 0.00 57.88 58.10 2edp h LEU 31 Cb 0.00 0.03 -0.08 0.00 -0.44 0.00 0.00 40.66 40.17 2edp h LEU 31 CO 0.00 -0.04 -0.29 -0.08 -4.11 0.00 0.00 178.44 173.92 2edp h GLU 32 N 0.04 -0.25 -0.61 0.17 4.57 -1.84 -1.01 114.58 115.65 2edp h GLU 32 Ca 0.78 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.98 2edp h GLU 32 Cb 2.94 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 31.59 2edp h GLU 32 CO -0.11 -0.17 0.00 0.72 -1.18 0.00 0.00 179.01 178.27 2edp n HIS 33 N -5.40 1.58 -2.78 0.92 8.25 0.38 -4.92 115.22 113.25 2edp n HIS 33 Ca 0.00 -0.65 -0.20 0.00 -0.26 0.00 0.00 57.72 56.61 2edp n HIS 33 Cb 0.32 -0.30 0.02 0.00 1.12 0.00 0.00 29.99 31.15 2edp n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2edp s GLU 35 N -5.41 2.21 -0.80 0.00 2.02 -0.56 -4.93 118.70 111.22 2edp s GLU 35 Ca 0.20 -0.90 -0.25 0.00 0.02 0.00 0.00 54.97 54.04 2edp s GLU 35 Cb -0.09 -2.26 -0.04 0.00 0.10 0.00 0.00 34.13 31.85 2edp s GLU 35 CO 0.24 0.56 1.92 -1.25 0.02 0.00 0.00 175.26 176.75 2edp s PRO 36 N -1.29 2.58 -0.91 0.39 0.04 -1.26 0.05 135.00 134.60 2edp s PRO 36 Ca 0.14 0.03 -0.27 0.00 0.04 0.00 0.00 61.00 60.95 2edp s PRO 36 Cb -0.11 -4.82 -0.21 0.00 0.04 0.00 0.00 34.50 29.40 2edp s PRO 36 CO 0.05 -3.15 2.42 -0.11 0.04 0.00 0.00 177.00 176.25 2edp n LEU 37 N 13.54 0.12 -4.10 -3.56 7.94 -1.26 -4.71 117.00 124.98 2edp n LEU 37 Ca 0.33 0.11 -0.18 0.00 -1.11 0.00 0.00 56.01 55.16 2edp n LEU 37 Cb 0.49 -0.81 -0.13 0.00 0.53 0.00 0.00 43.42 43.50 2edp n LEU 37 CO 0.64 -0.71 -0.44 0.42 -1.11 0.00 0.00 177.39 176.18 2edp s THR 38 N 7.49 0.89 -0.04 1.96 -4.23 -1.20 -2.73 115.64 117.78 2edp s THR 38 Ca 1.24 -0.87 -0.36 0.00 -1.18 0.00 0.00 61.69 60.52 2edp s THR 38 Cb -1.12 -0.82 -0.18 0.00 1.34 0.00 0.00 72.50 71.72 2edp s THR 38 CO 0.45 -0.03 0.99 0.52 -0.54 0.00 0.00 174.62 176.01 2edp n VAL 39 N 2.03 0.00 -0.08 2.29 0.31 -0.39 -2.98 118.33 119.52 2edp n VAL 39 Ca -0.18 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.05 2edp n VAL 39 Cb 0.55 -0.04 -0.10 0.00 -0.91 0.00 0.00 33.84 33.35 2edp n VAL 39 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2edp n SER 40 N 1.53 2.11 -3.67 4.52 3.41 -0.95 -3.02 113.62 117.55 2edp n SER 40 Ca 0.19 -0.05 -0.14 0.00 -0.26 0.00 0.00 58.87 58.60 2edp n SER 40 Cb 0.06 0.26 -0.08 0.00 -0.26 0.00 0.00 64.21 64.19 2edp n SER 40 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2edp s LYS 41 N -2.35 0.71 -0.21 4.33 2.47 -1.25 -4.94 119.74 118.50 2edp s LYS 41 Ca -0.16 0.55 -0.04 0.00 -1.56 0.00 0.00 55.97 54.76 2edp s LYS 41 Cb 0.05 0.34 0.08 0.00 -1.46 0.00 0.00 37.83 36.84 2edp s LYS 41 CO 0.49 -0.13 0.13 0.42 0.16 0.00 0.00 175.35 176.41 2edp s ILE 42 N -0.17 -0.13 -0.28 5.43 1.01 -1.26 0.46 121.20 126.25 2edp s ILE 42 Ca -0.04 -0.33 -0.42 0.00 0.00 0.00 0.00 60.65 59.86 2edp s ILE 42 Cb -0.03 -0.71 -0.18 0.00 0.01 0.00 0.00 42.46 41.54 2edp s ILE 42 CO 0.03 -0.40 1.55 -0.62 0.00 0.00 0.00 174.94 175.50 2edp n GLU 43 N 5.28 0.55 -2.67 2.79 1.02 0.39 -4.83 120.64 123.18 2edp n GLU 43 Ca -0.06 0.20 -0.42 0.00 -0.02 0.00 0.00 57.16 56.86 2edp n GLU 43 Cb 0.47 -1.79 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 2edp n GLU 43 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2edp s ASP 44 N 2.50 6.45 0.00 1.62 1.01 -1.26 -3.29 116.67 123.70 2edp s ASP 44 Ca 0.98 -1.39 0.00 0.00 0.71 0.00 0.00 52.55 52.85 2edp s ASP 44 Cb -1.25 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 40.16 2edp s ASP 44 CO 0.69 -1.45 0.00 0.61 0.21 0.00 0.00 175.17 175.22 2edp n GLY 45 N 6.22 0.78 0.00 0.21 0.00 -1.26 -5.09 105.19 106.05 2edp n GLY 45 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2edp n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2edp n GLY 46 N 0.00 0.16 0.11 -0.02 0.00 -1.21 -4.79 105.19 99.44 2edp n GLY 46 Ca 0.00 -1.17 -0.22 0.00 0.00 0.00 0.00 46.02 44.63 2edp n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2edp n LYS 47 N 0.00 0.56 -0.12 1.61 4.76 0.15 -3.40 118.16 121.72 2edp n LYS 47 Ca 0.00 0.48 -0.06 0.00 -2.87 0.00 0.00 58.31 55.85 2edp n LYS 47 Cb 0.00 -1.66 -0.00 0.00 -1.84 0.00 0.00 35.03 31.53 2edp n LYS 47 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2edp h ALA 48 N -0.69 -0.05 -0.28 7.82 0.00 -1.60 0.29 119.26 124.75 2edp h ALA 48 Ca -0.40 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2edp h ALA 48 Cb 1.30 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 2edp h ALA 48 CO -0.24 -0.65 0.11 0.00 0.00 0.00 0.00 179.25 178.47 2edp h ALA 49 N 0.94 0.37 -0.80 0.00 0.00 -1.78 -2.61 119.26 115.38 2edp h ALA 49 Ca 0.19 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.15 2edp h ALA 49 Cb 0.50 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 2edp h ALA 49 CO -0.53 -0.03 0.53 -0.07 0.00 0.00 0.00 179.25 179.15 2edp h LEU 50 N 0.31 0.38 -1.40 0.00 3.38 -1.34 0.15 115.31 116.79 2edp h LEU 50 Ca 0.09 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2edp h LEU 50 Cb 0.18 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2edp h LEU 50 CO -0.01 0.18 0.02 0.28 0.09 0.00 0.00 178.44 179.00 2edp h SER 51 N 0.39 0.38 -3.92 -0.43 0.02 -0.57 -3.46 113.55 105.97 2edp h SER 51 Ca 0.40 -0.06 -0.35 0.00 -0.84 0.00 0.00 61.79 60.94 2edp h SER 51 Cb 0.97 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 2edp h SER 51 CO -0.13 0.43 -0.47 0.00 -1.14 0.00 0.00 176.83 175.52 2edp n GLN 52 N -4.33 -2.73 -0.08 3.45 6.02 0.51 -4.83 117.38 115.39 2edp n GLN 52 Ca 0.01 0.77 -0.09 0.00 -0.01 0.00 0.00 57.00 57.68 2edp n GLN 52 Cb 0.20 -5.45 -0.11 0.00 1.02 0.00 0.00 30.24 25.90 2edp n GLN 52 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2edp n LYS 53 N -3.23 1.33 -4.49 -1.09 4.76 -1.26 -5.03 118.16 109.15 2edp n LYS 53 Ca -0.15 0.02 -0.23 0.00 -2.87 0.00 0.00 58.31 55.07 2edp n LYS 53 Cb 0.63 -1.38 -0.11 0.00 -1.84 0.00 0.00 35.03 32.34 2edp n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2edp s MET 54 N -2.36 1.70 -0.01 1.97 0.23 -1.26 -4.97 119.30 114.60 2edp s MET 54 Ca -0.12 -1.91 -0.28 0.00 -1.03 0.00 0.00 55.69 52.35 2edp s MET 54 Cb 0.05 -1.22 0.09 0.00 -1.53 0.00 0.00 34.83 32.21 2edp s MET 54 CO 0.56 -0.04 0.77 1.03 -2.03 0.00 0.00 175.02 175.30 2edp s ARG 55 N -3.76 0.97 -0.66 3.16 0.52 -1.26 -4.89 118.95 113.03 2edp s ARG 55 Ca 0.33 -0.08 -0.32 0.00 -0.52 0.00 0.00 55.73 55.14 2edp s ARG 55 Cb 0.07 0.45 -0.15 0.00 0.52 0.00 0.00 34.95 35.83 2edp s ARG 55 CO 0.15 -0.37 2.44 0.25 0.02 0.00 0.00 175.30 177.79 2edp n THR 56 N 0.28 0.03 0.00 0.02 -2.24 -1.26 -2.03 114.28 109.07 2edp n THR 56 Ca -0.14 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 2edp n THR 56 Cb 0.60 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 2edp n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2edp n GLY 57 N 6.52 0.06 3.92 3.38 0.00 -1.17 -4.99 105.19 112.91 2edp n GLY 57 Ca 0.52 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.28 2edp n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2edp s ASP 58 N 0.00 6.28 -0.33 1.61 1.47 -0.86 -4.86 116.67 119.98 2edp s ASP 58 Ca 0.00 0.75 -0.07 0.00 1.18 0.00 0.00 52.55 54.41 2edp s ASP 58 Cb 0.00 -2.17 0.03 0.00 -0.34 0.00 0.00 42.92 40.44 2edp s ASP 58 CO 0.00 -0.47 0.10 -0.70 0.68 0.00 0.00 175.17 174.79 2edp s GLU 59 N -4.56 2.76 -0.29 2.11 2.12 -1.23 -1.26 118.70 118.34 2edp s GLU 59 Ca 0.45 -1.08 -0.19 0.00 0.36 0.00 0.00 54.97 54.51 2edp s GLU 59 Cb -0.10 -3.45 -0.02 0.00 0.26 0.00 0.00 34.13 30.82 2edp s GLU 59 CO 0.41 -0.61 0.54 -1.17 -0.54 0.00 0.00 175.26 173.90 2edp s LEU 60 N 1.44 4.14 0.00 2.70 0.20 -1.11 -1.71 118.68 124.35 2edp s LEU 60 Ca -0.00 0.36 0.01 0.00 0.69 0.00 0.00 54.13 55.19 2edp s LEU 60 Cb -0.19 -2.68 0.00 0.00 -0.43 0.00 0.00 46.19 42.89 2edp s LEU 60 CO 0.03 -0.39 0.31 1.33 -0.29 0.00 0.00 176.35 177.34 2edp n VAL 61 N 5.29 0.00 -3.70 1.68 0.24 -1.22 -4.89 118.33 115.73 2edp n VAL 61 Ca -0.03 -0.49 -0.24 0.00 -2.04 0.00 0.00 64.34 61.54 2edp n VAL 61 Cb 0.49 1.01 -0.17 0.00 -1.47 0.00 0.00 33.84 33.70 2edp n VAL 61 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2edp s ASN 62 N -0.52 1.89 -0.16 -1.34 3.84 -1.25 -0.62 114.94 116.78 2edp s ASN 62 Ca 0.01 -0.30 0.01 0.00 0.21 0.00 0.00 52.86 52.79 2edp s ASN 62 Cb 0.01 -0.34 0.01 0.00 -0.55 0.00 0.00 41.25 40.38 2edp s ASN 62 CO 0.02 -0.27 -0.19 -0.63 -2.79 0.00 0.00 177.10 173.24 2edp s ILE 63 N 2.05 2.28 -1.61 -5.21 1.01 -0.66 -2.13 121.20 116.92 2edp s ILE 63 Ca 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.79 2edp s ILE 63 Cb -0.14 -1.94 0.00 0.00 0.01 0.00 0.00 42.46 40.39 2edp s ILE 63 CO -0.06 0.53 0.00 0.59 0.00 0.00 0.00 174.94 176.00 2edp n ASN 64 N 4.23 -4.86 0.00 3.58 3.02 0.54 0.04 115.26 121.80 2edp n ASN 64 Ca -0.20 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 2edp n ASN 64 Cb 0.51 -4.19 0.00 0.00 -0.61 0.00 0.00 39.78 35.49 2edp n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2edp n GLY 65 N -0.69 0.69 3.41 7.41 0.00 -1.16 -4.85 105.19 110.00 2edp n GLY 65 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 2edp n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2edp s THR 66 N -2.21 4.63 -0.38 2.61 2.01 0.11 -5.05 115.64 117.36 2edp s THR 66 Ca 0.00 -0.68 -0.28 0.00 0.31 0.00 0.00 61.69 61.04 2edp s THR 66 Cb 0.00 -3.50 -0.01 0.00 0.01 0.00 0.00 72.50 69.00 2edp s THR 66 CO 0.00 -0.13 1.72 -2.16 -0.69 0.00 0.00 174.62 173.36 2edp s PRO 67 N 1.58 3.31 0.75 4.92 0.04 -1.26 -1.66 135.00 142.68 2edp s PRO 67 Ca 0.03 1.22 -0.12 0.00 0.04 0.00 0.00 61.00 62.17 2edp s PRO 67 Cb -0.18 -4.18 0.04 0.00 0.04 0.00 0.00 34.50 30.22 2edp s PRO 67 CO 0.07 -1.89 1.12 -0.51 0.04 0.00 0.00 177.00 175.82 2edp s LEU 68 N 6.81 2.73 -0.29 -3.56 1.43 0.21 -5.00 118.68 121.02 2edp s LEU 68 Ca 0.74 1.08 0.09 0.00 -1.03 0.00 0.00 54.13 55.01 2edp s LEU 68 Cb -0.19 -3.77 0.47 0.00 0.03 0.00 0.00 46.19 42.73 2edp s LEU 68 CO 0.32 -1.61 1.37 -1.22 0.23 0.00 0.00 176.35 175.44 2edp n TYR 69 N -3.17 1.13 0.00 0.29 4.01 -1.26 -4.92 117.16 113.24 2edp n TYR 69 Ca 0.07 -1.75 0.00 0.00 -0.16 0.00 0.00 57.90 56.06 2edp n TYR 69 Cb 0.58 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 2edp n TYR 69 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2edp n GLY 70 N -1.05 2.91 3.30 2.72 0.00 -1.26 -4.87 105.19 106.94 2edp n GLY 70 Ca 0.32 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.01 2edp n GLY 70 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2edp n SER 71 N 0.21 -2.56 -0.02 1.61 2.88 -1.26 -2.20 113.62 112.28 2edp n SER 71 Ca 0.00 0.10 -0.04 0.00 -1.33 0.00 0.00 58.87 57.61 2edp n SER 71 Cb 0.00 -1.02 -0.01 0.00 -0.75 0.00 0.00 64.21 62.43 2edp n SER 71 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2edp n ARG 72 N -1.30 0.21 0.00 -1.46 0.63 -1.26 -4.54 116.66 108.95 2edp n ARG 72 Ca 0.03 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 2edp n ARG 72 Cb 0.59 -0.81 0.00 0.00 0.45 0.00 0.00 32.46 32.69 2edp n ARG 72 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2edp n GLN 73 N -3.64 0.00 -0.30 -0.14 3.00 -1.26 0.13 117.38 115.17 2edp n GLN 73 Ca -0.06 0.68 0.30 0.00 -0.01 0.00 0.00 57.00 57.91 2edp n GLN 73 Cb 0.21 -1.06 0.55 0.00 0.00 0.00 0.00 30.24 29.94 2edp n GLN 73 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2edp n GLU 74 N -2.32 -0.06 0.00 -1.09 2.13 -1.26 -0.18 120.64 117.86 2edp n GLU 74 Ca 0.00 1.29 0.00 0.00 0.66 0.00 0.00 57.16 59.11 2edp n GLU 74 Cb 0.00 -2.31 0.00 0.00 0.27 0.00 0.00 31.44 29.40 2edp n GLU 74 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2edp n ALA 75 N -2.31 -0.22 -0.37 4.31 0.00 0.34 -0.75 120.51 121.51 2edp n ALA 75 Ca 0.35 0.00 0.29 0.00 0.00 0.00 0.00 53.44 54.08 2edp n ALA 75 Cb 1.21 0.00 0.56 0.00 0.00 0.00 0.00 19.45 21.22 2edp n ALA 75 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2edp h LEU 76 N 0.00 0.38 -0.41 0.00 3.38 -0.32 0.49 115.31 118.83 2edp h LEU 76 Ca 0.00 0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 2edp h LEU 76 Cb 0.00 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2edp h LEU 76 CO 0.00 -0.07 -0.02 0.40 0.09 0.00 0.00 178.44 178.84 2edp h ILE 77 N 0.25 1.26 -0.31 1.22 2.04 -0.56 -2.57 117.51 118.84 2edp h ILE 77 Ca 0.72 -1.05 0.09 0.00 1.00 0.00 0.00 64.86 65.62 2edp h ILE 77 Cb 1.99 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 2edp h ILE 77 CO -0.41 0.36 0.34 0.25 0.00 0.00 0.00 178.15 178.69 2edp h LEU 78 N 0.57 0.00 0.00 1.44 5.85 0.22 -2.00 115.31 121.39 2edp h LEU 78 Ca 0.11 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2edp h LEU 78 Cb 0.51 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 2edp h LEU 78 CO 0.02 0.00 -0.08 0.40 -0.34 0.00 0.00 178.44 178.44 2edp h ILE 79 N 0.00 1.47 -0.66 4.05 2.04 -1.25 -3.33 117.51 119.82 2edp h ILE 79 Ca 0.15 -2.13 0.27 0.00 1.00 0.00 0.00 64.86 64.15 2edp h ILE 79 Cb 0.83 2.81 -0.11 0.00 -0.74 0.00 0.00 36.82 39.60 2edp h ILE 79 CO -0.00 0.50 0.37 2.29 0.00 0.00 0.00 178.15 181.30 2edp n LYS 80 N -4.62 -0.04 -2.13 2.37 2.85 -0.75 0.20 118.16 116.03 2edp n LYS 80 Ca -0.10 0.88 -0.33 0.00 -1.05 0.00 0.00 58.31 57.72 2edp n LYS 80 Cb 0.42 -1.60 0.02 0.00 -0.65 0.00 0.00 35.03 33.23 2edp n LYS 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2edp n GLY 81 N -1.18 5.84 2.62 2.58 0.00 -1.22 -5.04 105.19 108.79 2edp n GLY 81 Ca 0.25 -2.61 -0.22 0.00 0.00 0.00 0.00 46.02 43.43 2edp n GLY 81 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2edp n SER 82 N -0.56 -1.75 -4.26 1.61 3.41 0.53 -5.05 113.62 107.55 2edp n SER 82 Ca 0.47 -1.01 -0.26 0.00 -0.26 0.00 0.00 58.87 57.81 2edp n SER 82 Cb 0.51 -0.75 -0.08 0.00 -0.26 0.00 0.00 64.21 63.63 2edp n SER 82 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2edp s PHE 83 N -2.51 1.83 0.65 7.33 0.08 -1.26 -4.96 117.98 119.14 2edp s PHE 83 Ca 0.53 -1.19 0.17 0.00 0.12 0.00 0.00 56.93 56.56 2edp s PHE 83 Cb -0.05 -1.25 0.86 0.00 -0.57 0.00 0.00 43.02 42.01 2edp s PHE 83 CO 0.41 -0.17 1.47 0.00 -0.10 0.00 0.00 175.22 176.82 2edp h ARG 84 N 1.75 0.00 -4.05 0.44 3.08 -1.96 -3.38 114.38 110.25 2edp h ARG 84 Ca -0.37 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.37 2edp h ARG 84 Cb 1.28 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 31.03 2edp h ARG 84 CO 0.61 0.00 -0.74 0.42 -1.07 0.00 0.00 179.97 179.19 2edp s ILE 85 N -4.15 0.26 -0.06 2.04 1.01 -1.26 -0.57 121.20 118.48 2edp s ILE 85 Ca -0.02 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.56 2edp s ILE 85 Cb 0.06 -0.25 -0.02 0.00 0.01 0.00 0.00 42.46 42.27 2edp s ILE 85 CO 0.21 0.09 -0.18 -0.22 0.00 0.00 0.00 174.94 174.85 2edp s LEU 86 N 0.10 2.53 -0.19 2.97 2.96 -1.22 -4.95 118.68 120.88 2edp s LEU 86 Ca -0.01 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 2edp s LEU 86 Cb -0.03 -1.50 0.04 0.00 0.50 0.00 0.00 46.19 45.19 2edp s LEU 86 CO -0.00 0.30 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.66 2edp s LYS 87 N -0.47 2.25 0.05 1.98 1.02 -1.26 -0.03 119.74 123.27 2edp s LYS 87 Ca 0.06 -0.85 0.04 0.00 0.02 0.00 0.00 55.97 55.24 2edp s LYS 87 Cb -0.12 -2.44 -0.02 0.00 -0.52 0.00 0.00 37.83 34.73 2edp s LYS 87 CO 0.01 -0.38 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.45 2edp s LEU 88 N 1.36 2.22 -0.26 3.17 1.43 -0.94 0.20 118.68 125.87 2edp s LEU 88 Ca -0.00 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 2edp s LEU 88 Cb -0.16 -0.39 0.07 0.00 0.03 0.00 0.00 46.19 45.74 2edp s LEU 88 CO -0.09 -0.08 -0.01 -0.63 0.23 0.00 0.00 176.35 175.77 2edp s ILE 89 N -1.10 1.44 -0.12 -0.59 1.09 -0.90 0.12 121.20 121.13 2edp s ILE 89 Ca -0.04 -1.34 -0.07 0.00 -1.10 0.00 0.00 60.65 58.11 2edp s ILE 89 Cb -0.09 -1.83 -0.04 0.00 -1.06 0.00 0.00 42.46 39.44 2edp s ILE 89 CO 0.01 -0.26 0.11 0.68 -0.10 0.00 0.00 174.94 175.38 2edp s VAL 90 N 1.40 5.29 -0.19 2.92 -7.23 -1.11 -3.39 120.40 118.09 2edp s VAL 90 Ca -0.01 0.13 -0.04 0.00 -1.81 0.00 0.00 61.98 60.25 2edp s VAL 90 Cb -0.18 -3.31 -0.02 0.00 0.56 0.00 0.00 36.38 33.43 2edp s VAL 90 CO -0.10 0.59 -0.02 0.00 -0.31 0.00 0.00 175.10 175.27 2edp s ARG 91 N -0.82 3.61 -0.20 4.82 1.70 -0.69 -0.56 118.95 126.81 2edp s ARG 91 Ca 0.14 -0.53 -0.02 0.00 -0.47 0.00 0.00 55.73 54.85 2edp s ARG 91 Cb -0.12 -3.01 0.00 0.00 -0.57 0.00 0.00 34.95 31.25 2edp s ARG 91 CO 0.03 0.06 -0.11 -0.98 -1.08 0.00 0.00 175.30 173.22 2edp s ARG 92 N 0.84 3.21 -1.24 3.89 1.70 -0.89 -3.51 118.95 122.95 2edp s ARG 92 Ca -0.00 -0.71 -0.17 0.00 -0.47 0.00 0.00 55.73 54.38 2edp s ARG 92 Cb -0.14 -2.81 -0.02 0.00 -0.57 0.00 0.00 34.95 31.41 2edp s ARG 92 CO 0.02 -0.19 2.07 2.89 -1.08 0.00 0.00 175.30 179.02 2edp n ARG 93 N 4.68 2.46 -1.58 3.89 1.85 -1.26 -3.28 116.66 123.41 2edp n ARG 93 Ca -0.19 -2.47 -0.49 0.00 -1.00 0.00 0.00 57.85 53.70 2edp n ARG 93 Cb 0.51 -3.24 -0.04 0.00 -1.05 0.00 0.00 32.46 28.64 2edp n ARG 93 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2edp n ASN 94 N 7.17 1.44 -3.45 2.89 3.02 -1.26 -4.97 115.26 120.10 2edp n ASN 94 Ca 0.51 1.14 -0.13 0.00 -0.03 0.00 0.00 54.58 56.07 2edp n ASN 94 Cb 0.41 -1.23 -0.03 0.00 -0.61 0.00 0.00 39.78 38.32 2edp n ASN 94 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2edp s SER 95 N 0.03 -0.57 0.00 6.41 0.15 -1.26 -4.95 113.70 113.51 2edp s SER 95 Ca 0.73 0.13 0.00 0.00 0.70 0.00 0.00 55.95 57.51 2edp s SER 95 Cb -0.84 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 2edp s SER 95 CO 0.52 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.68 2edp n GLY 96 N -0.11 1.74 0.15 9.45 0.00 -1.26 -4.88 105.19 110.29 2edp n GLY 96 Ca -0.17 -0.37 0.13 0.00 0.00 0.00 0.00 46.02 45.61 2edp n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2edp h PRO 97 N 0.00 0.00 -6.29 1.61 0.13 -2.04 -3.43 132.00 121.97 2edp h PRO 97 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 2edp h PRO 97 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 2edp h PRO 97 CO 0.00 0.00 0.21 0.45 -0.23 0.00 0.00 178.00 178.43 2edp s SER 98 N -4.46 7.23 0.02 1.44 0.15 -1.26 -4.99 113.70 111.83 2edp s SER 98 Ca 0.04 1.48 -0.29 0.00 0.70 0.00 0.00 55.95 57.87 2edp s SER 98 Cb 0.09 -2.49 -0.16 0.00 -1.71 0.00 0.00 66.02 61.75 2edp s SER 98 CO 0.41 -0.09 1.23 -1.28 1.20 0.00 0.00 173.24 174.71 2edp h SER 99 N 6.16 -0.86 0.00 5.45 0.87 -2.04 -3.51 113.55 119.62 2edp h SER 99 Ca -0.42 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 2edp h SER 99 Cb 1.21 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.39 2edp h SER 99 CO 0.73 -0.50 0.00 0.61 -0.53 0.00 0.00 176.83 177.14