#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eei s SER 2 N 0.00 5.59 -0.16 1.61 0.01 -1.26 -5.08 113.70 114.42 2eei s SER 2 Ca 0.00 -0.05 0.01 0.00 1.31 0.00 0.00 55.95 57.22 2eei s SER 2 Cb 0.00 -2.00 0.01 0.00 0.21 0.00 0.00 66.02 64.23 2eei s SER 2 CO 0.00 0.03 -0.18 -0.44 0.41 0.00 0.00 173.24 173.05 2eei s SER 3 N 1.26 3.36 0.96 2.44 0.01 -1.26 -5.12 113.70 115.36 2eei s SER 3 Ca 0.06 -0.56 -0.14 0.00 1.31 0.00 0.00 55.95 56.62 2eei s SER 3 Cb -0.14 -1.51 0.09 0.00 0.21 0.00 0.00 66.02 64.67 2eei s SER 3 CO 0.05 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.37 2eei n GLY 4 N 4.21 -2.35 3.55 3.44 0.00 -1.26 -4.74 105.19 108.04 2eei n GLY 4 Ca -0.20 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 2eei n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eei s SER 5 N -1.71 5.64 0.14 1.61 1.04 -1.26 -4.91 113.70 114.24 2eei s SER 5 Ca 0.35 -0.14 -0.22 0.00 0.48 0.00 0.00 55.95 56.41 2eei s SER 5 Cb -0.04 -2.55 0.06 0.00 0.10 0.00 0.00 66.02 63.60 2eei s SER 5 CO 0.38 -2.18 0.56 -0.55 0.98 0.00 0.00 173.24 172.44 2eei s SER 6 N 6.42 -0.51 0.00 7.02 0.15 -1.26 -5.09 113.70 120.43 2eei s SER 6 Ca 0.55 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.18 2eei s SER 6 Cb -0.10 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2eei s SER 6 CO 0.15 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.27 2eei n GLY 7 N -0.27 -2.30 0.51 9.45 0.00 -1.26 -5.01 105.19 106.31 2eei n GLY 7 Ca -0.17 0.75 -0.18 0.00 0.00 0.00 0.00 46.02 46.41 2eei n GLY 7 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2eei h GLN 8 N 0.00 -0.99 -7.39 1.61 4.20 -2.02 -3.44 115.11 107.08 2eei h GLN 8 Ca 0.00 0.07 -0.41 0.00 0.06 0.00 0.00 58.65 58.36 2eei h GLN 8 Cb 0.00 0.22 0.19 0.00 0.30 0.00 0.00 27.48 28.20 2eei h GLN 8 CO 0.00 -0.66 0.13 -1.25 -0.67 0.00 0.00 178.83 176.38 2eei s PRO 9 N -5.85 -1.22 -0.08 1.46 0.04 -1.26 -5.05 135.00 123.04 2eei s PRO 9 Ca -0.18 -0.06 -0.02 0.00 0.04 0.00 0.00 61.00 60.78 2eei s PRO 9 Cb 0.04 -1.60 -0.03 0.00 0.04 0.00 0.00 34.50 32.95 2eei s PRO 9 CO 0.60 -3.71 0.01 1.03 0.04 0.00 0.00 177.00 174.97 2eei s ARG 10 N -5.40 2.99 -0.33 4.56 1.81 -1.13 -5.05 118.95 116.40 2eei s ARG 10 Ca 0.71 -0.41 -0.16 0.00 -1.72 0.00 0.00 55.73 54.15 2eei s ARG 10 Cb -0.10 -2.80 -0.02 0.00 -0.45 0.00 0.00 34.95 31.58 2eei s ARG 10 CO 0.56 0.70 0.40 -1.17 -0.68 0.00 0.00 175.30 175.11 2eei s LEU 11 N -0.96 4.33 -0.57 2.53 1.98 -1.26 -3.22 118.68 121.51 2eei s LEU 11 Ca 0.14 -0.07 -0.13 0.00 -2.89 0.00 0.00 54.13 51.18 2eei s LEU 11 Cb -0.11 -2.41 0.14 0.00 0.66 0.00 0.00 46.19 44.47 2eei s LEU 11 CO 0.03 -0.33 0.50 0.00 -1.89 0.00 0.00 176.35 174.65 2eei s TYR 13 N 1.27 2.68 0.07 0.00 5.04 -1.26 -0.29 117.35 124.86 2eei s TYR 13 Ca 0.06 -0.04 -0.11 0.00 -2.44 0.00 0.00 57.07 54.54 2eei s TYR 13 Cb -0.26 -4.25 -0.06 0.00 0.35 0.00 0.00 41.96 37.74 2eei s TYR 13 CO 0.00 -1.53 0.41 -0.51 -1.34 0.00 0.00 175.55 172.58 2eei s LEU 14 N 4.35 4.37 -0.09 6.97 2.01 -0.14 -4.80 118.68 131.36 2eei s LEU 14 Ca 0.32 0.85 -0.03 0.00 0.01 0.00 0.00 54.13 55.27 2eei s LEU 14 Cb -0.12 -2.92 0.05 0.00 0.01 0.00 0.00 46.19 43.20 2eei s LEU 14 CO 0.18 0.20 0.13 -0.69 1.01 0.00 0.00 176.35 177.18 2eei s VAL 15 N -1.34 -0.21 -0.27 -1.59 1.01 -1.26 -0.75 120.40 115.98 2eei s VAL 15 Ca 0.31 0.31 -0.39 0.00 0.00 0.00 0.00 61.98 62.21 2eei s VAL 15 Cb -0.15 -0.30 -0.15 0.00 0.00 0.00 0.00 36.38 35.79 2eei s VAL 15 CO 0.17 0.10 1.83 0.29 0.00 0.00 0.00 175.10 177.49 2eei n LYS 16 N 5.31 1.24 0.03 2.72 5.02 -1.13 -4.82 118.16 126.53 2eei n LYS 16 Ca -0.04 0.44 -0.00 0.00 -2.02 0.00 0.00 58.31 56.69 2eei n LYS 16 Cb 0.50 -2.19 -0.00 0.00 -0.02 0.00 0.00 35.03 33.31 2eei n LYS 16 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2eei n GLU 17 N 5.93 0.02 -4.40 1.97 1.02 -1.26 -4.97 120.64 118.94 2eei n GLU 17 Ca 0.28 0.01 -0.20 0.00 -0.02 0.00 0.00 57.16 57.23 2eei n GLU 17 Cb 0.15 -0.39 -0.15 0.00 -0.02 0.00 0.00 31.44 31.03 2eei n GLU 17 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2eei s GLY 18 N -3.75 0.51 0.00 0.62 0.00 -1.26 -5.05 107.32 98.39 2eei s GLY 18 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.34 2eei s GLY 18 CO 0.01 -0.20 0.00 0.61 0.00 0.00 0.00 173.10 173.52 2eei n GLY 19 N 3.09 1.75 3.56 0.20 0.00 -1.26 -4.51 105.19 108.03 2eei n GLY 19 Ca -0.16 0.53 -0.25 0.00 0.00 0.00 0.00 46.02 46.15 2eei n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eei s SER 20 N -4.00 3.93 1.00 1.61 0.01 -1.26 -5.10 113.70 109.90 2eei s SER 20 Ca 0.00 -1.01 -0.13 0.00 1.31 0.00 0.00 55.95 56.12 2eei s SER 20 Cb 0.00 -0.46 0.12 0.00 0.21 0.00 0.00 66.02 65.89 2eei s SER 20 CO 0.00 -0.12 0.67 -1.22 0.41 0.00 0.00 173.24 172.98 2eei n TYR 21 N -0.81 -0.70 -0.44 2.43 4.01 -1.26 -4.88 117.16 115.51 2eei n TYR 21 Ca -0.05 0.21 -0.15 0.00 -0.16 0.00 0.00 57.90 57.75 2eei n TYR 21 Cb 0.62 -1.81 0.10 0.00 -0.31 0.00 0.00 39.34 37.94 2eei n TYR 21 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2eei n GLY 22 N 1.12 3.66 3.13 2.72 0.00 -1.26 -4.87 105.19 109.69 2eei n GLY 22 Ca 0.07 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 2eei n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2eei s PHE 23 N -2.06 0.01 0.02 1.61 -0.12 -1.26 -0.62 117.98 115.57 2eei s PHE 23 Ca 0.35 -0.09 0.05 0.00 -0.05 0.00 0.00 56.93 57.19 2eei s PHE 23 Cb 0.30 -0.03 -0.02 0.00 -0.63 0.00 0.00 43.02 42.64 2eei s PHE 23 CO 0.06 -0.31 -0.14 -1.12 -0.05 0.00 0.00 175.22 173.66 2eei s SER 24 N -1.44 1.60 0.21 1.98 0.01 -0.79 -5.01 113.70 110.27 2eei s SER 24 Ca -0.14 -0.38 0.06 0.00 1.31 0.00 0.00 55.95 56.81 2eei s SER 24 Cb -0.07 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 2eei s SER 24 CO 0.02 0.08 0.15 -0.76 0.41 0.00 0.00 173.24 173.14 2eei s LEU 25 N -0.84 3.76 -0.06 2.44 1.43 -1.26 -2.09 118.68 122.05 2eei s LEU 25 Ca 0.03 -0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 52.60 2eei s LEU 25 Cb -0.07 -2.33 0.09 0.00 0.03 0.00 0.00 46.19 43.91 2eei s LEU 25 CO 0.01 0.01 0.77 -1.59 0.23 0.00 0.00 176.35 175.78 2eei s LYS 26 N -3.49 0.93 -0.21 1.70 -2.85 -1.26 -4.96 119.74 109.61 2eei s LYS 26 Ca 0.32 0.15 -0.08 0.00 -1.00 0.00 0.00 55.97 55.35 2eei s LYS 26 Cb -0.09 0.44 -0.04 0.00 -2.06 0.00 0.00 37.83 36.08 2eei s LYS 26 CO 0.24 -0.31 0.09 0.95 0.10 0.00 0.00 175.35 176.42 2eei s THR 27 N -1.45 4.84 0.43 3.79 -4.23 -1.26 -4.24 115.64 113.51 2eei s THR 27 Ca -0.07 -0.01 -0.22 0.00 -1.18 0.00 0.00 61.69 60.22 2eei s THR 27 Cb -0.00 -3.22 -0.10 0.00 1.34 0.00 0.00 72.50 70.52 2eei s THR 27 CO 0.05 0.40 0.99 -0.69 -0.54 0.00 0.00 174.62 174.82 2eei s VAL 28 N 0.85 4.13 -0.58 2.29 1.01 -1.26 -4.95 120.40 121.89 2eei s VAL 28 Ca 0.05 1.39 -0.27 0.00 0.00 0.00 0.00 61.98 63.15 2eei s VAL 28 Cb -0.13 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2eei s VAL 28 CO 0.03 -0.22 1.93 -1.58 0.00 0.00 0.00 175.10 175.25 2eei s GLN 29 N -3.03 2.60 0.00 2.72 2.00 -1.26 -3.15 119.66 119.55 2eei s GLN 29 Ca 0.62 0.77 0.00 0.00 -2.00 0.00 0.00 55.36 54.75 2eei s GLN 29 Cb -0.13 -4.40 0.00 0.00 0.80 0.00 0.00 33.01 29.28 2eei s GLN 29 CO 0.17 -2.75 0.00 0.41 -0.50 0.00 0.00 175.29 172.63 2eei n GLY 30 N 5.72 3.12 3.38 2.59 0.00 -1.26 -5.06 105.19 113.68 2eei n GLY 30 Ca 0.23 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 2eei n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2eei n LYS 31 N 0.00 -1.20 -4.76 1.61 4.81 -1.19 -5.02 118.16 112.41 2eei n LYS 31 Ca 0.00 -0.32 -0.26 0.00 -0.87 0.00 0.00 58.31 56.87 2eei n LYS 31 Cb 0.00 -1.88 -0.16 0.00 0.02 0.00 0.00 35.03 33.01 2eei n LYS 31 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2eei s LYS 32 N -3.74 1.78 0.00 1.64 -2.85 -1.26 -4.72 119.74 110.59 2eei s LYS 32 Ca 0.59 -0.55 0.00 0.00 -1.00 0.00 0.00 55.97 55.01 2eei s LYS 32 Cb -0.18 -1.51 0.00 0.00 -2.06 0.00 0.00 37.83 34.08 2eei s LYS 32 CO 0.66 0.17 0.00 0.41 0.10 0.00 0.00 175.35 176.69 2eei n GLY 33 N 3.36 2.31 3.89 0.59 0.00 -1.25 -4.83 105.19 109.26 2eei n GLY 33 Ca -0.19 -1.78 -0.34 0.00 0.00 0.00 0.00 46.02 43.71 2eei n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2eei s VAL 34 N -2.21 5.34 -0.11 1.61 1.01 -1.20 -4.74 120.40 120.09 2eei s VAL 34 Ca 0.00 0.02 -0.19 0.00 0.00 0.00 0.00 61.98 61.81 2eei s VAL 34 Cb 0.00 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.86 2eei s VAL 34 CO 0.00 0.31 0.47 -0.72 0.00 0.00 0.00 175.10 175.16 2eei s TYR 35 N -1.35 -0.46 0.24 5.22 -0.85 -1.26 -2.36 117.35 116.54 2eei s TYR 35 Ca 0.29 0.99 -0.31 0.00 -0.52 0.00 0.00 57.07 57.52 2eei s TYR 35 Cb -0.13 0.20 -0.12 0.00 0.38 0.00 0.00 41.96 42.29 2eei s TYR 35 CO 0.18 -0.36 1.64 -1.33 -1.52 0.00 0.00 175.55 174.17 2eei n MET 36 N 2.05 2.65 -0.02 -3.49 2.81 -1.06 -4.03 117.12 116.04 2eei n MET 36 Ca -0.17 0.95 -0.03 0.00 -1.81 0.00 0.00 57.70 56.64 2eei n MET 36 Cb 0.56 -2.75 -0.02 0.00 -0.71 0.00 0.00 33.22 30.30 2eei n MET 36 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 2eei n THR 37 N 3.01 0.26 -3.86 2.03 5.66 -0.89 0.22 114.28 120.71 2eei n THR 37 Ca 0.13 -0.09 -0.36 0.00 -3.05 0.00 0.00 64.05 60.67 2eei n THR 37 Cb 0.35 -0.81 -0.13 0.00 -1.55 0.00 0.00 70.33 68.18 2eei n THR 37 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2eei s ASP 38 N -4.60 4.74 -0.73 1.09 2.15 -1.24 -4.16 116.67 113.91 2eei s ASP 38 Ca -0.06 -0.85 -0.04 0.00 0.43 0.00 0.00 52.55 52.03 2eei s ASP 38 Cb 0.02 -1.77 0.19 0.00 -0.30 0.00 0.00 42.92 41.06 2eei s ASP 38 CO 0.10 -0.17 0.58 -0.63 -0.17 0.00 0.00 175.17 174.88 2eei s ILE 39 N 1.39 4.15 -0.01 4.11 -1.09 -1.26 -1.88 121.20 126.61 2eei s ILE 39 Ca 0.01 -3.18 -0.40 0.00 -2.23 0.00 0.00 60.65 54.85 2eei s ILE 39 Cb -0.17 -3.64 -0.19 0.00 -1.58 0.00 0.00 42.46 36.87 2eei s ILE 39 CO -0.01 -0.96 1.13 0.41 -1.23 0.00 0.00 174.94 174.28 2eei n THR 40 N 3.19 0.00 -2.23 2.92 -1.04 0.20 -4.80 114.28 112.53 2eei n THR 40 Ca 0.13 -0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.72 2eei n THR 40 Cb 0.39 -0.15 -0.03 0.00 -1.82 0.00 0.00 70.33 68.72 2eei n THR 40 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2eei s PRO 41 N 0.20 4.40 -1.46 -2.82 0.04 -1.26 -3.10 135.00 131.00 2eei s PRO 41 Ca 0.91 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 63.88 2eei s PRO 41 Cb -1.23 -3.19 0.05 0.00 0.04 0.00 0.00 34.50 30.17 2eei s PRO 41 CO 0.56 -0.22 0.99 1.04 0.04 0.00 0.00 177.00 179.41 2eei n GLN 42 N 2.41 -6.20 -4.68 4.56 6.02 -1.26 -4.98 117.38 113.25 2eei n GLN 42 Ca 0.05 0.71 -0.33 0.00 -0.01 0.00 0.00 57.00 57.42 2eei n GLN 42 Cb 0.43 -5.64 -0.06 0.00 1.02 0.00 0.00 30.24 25.98 2eei n GLN 42 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2eei s GLY 43 N -3.20 3.01 0.54 1.08 0.00 -1.18 -4.94 107.32 102.62 2eei s GLY 43 Ca 0.59 -0.28 0.35 0.00 0.00 0.00 0.00 44.72 45.38 2eei s GLY 43 CO 0.72 -2.18 1.82 -2.08 0.00 0.00 0.00 173.10 171.39 2eei h VAL 44 N 1.24 0.44 0.02 1.40 2.07 -1.88 0.31 116.25 119.85 2eei h VAL 44 Ca -0.43 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 2eei h VAL 44 Cb 1.32 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2eei h VAL 44 CO 0.72 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 178.30 2eei h ALA 45 N 1.44 -0.16 -0.65 1.67 0.00 -1.84 -2.96 119.26 116.77 2eei h ALA 45 Ca 0.53 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.63 2eei h ALA 45 Cb 2.13 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.90 2eei h ALA 45 CO -0.01 -0.16 0.80 1.98 0.00 0.00 0.00 179.25 181.86 2eei h MET 46 N -0.13 0.00 0.01 0.00 -1.53 -1.59 0.96 114.93 112.64 2eei h MET 46 Ca -0.00 0.00 -0.23 0.00 -3.44 0.00 0.00 59.70 56.03 2eei h MET 46 Cb 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.07 2eei h MET 46 CO 0.00 0.00 -0.96 -0.09 0.14 0.00 0.00 176.91 176.00 2eei h ARG 47 N 0.00 0.43 0.00 0.39 1.12 -1.03 -3.13 114.38 112.16 2eei h ARG 47 Ca 0.31 -0.47 0.00 0.00 -1.11 0.00 0.00 59.98 58.71 2eei h ARG 47 Cb 1.90 0.14 0.00 0.00 -0.01 0.00 0.00 29.97 32.00 2eei h ARG 47 CO -0.00 1.13 0.00 0.00 -3.11 0.00 0.00 179.97 177.99 2eei h ALA 48 N 0.71 1.00 -0.41 2.80 0.00 0.11 -3.47 119.26 120.00 2eei h ALA 48 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2eei h ALA 48 Cb 1.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2eei h ALA 48 CO 0.17 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.83 2eei n GLY 49 N 0.37 0.94 3.36 0.00 0.00 -0.92 -4.55 105.19 104.39 2eei n GLY 49 Ca 0.02 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 2eei n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eei s VAL 50 N -2.32 3.29 0.38 1.61 0.11 -1.23 -4.90 120.40 117.35 2eei s VAL 50 Ca 0.00 -0.55 -0.02 0.00 -2.93 0.00 0.00 61.98 58.48 2eei s VAL 50 Cb 0.00 -2.44 -0.04 0.00 -1.53 0.00 0.00 36.38 32.37 2eei s VAL 50 CO 0.00 0.48 0.62 -0.76 -3.33 0.00 0.00 175.10 172.11 2eei s LEU 51 N 0.82 3.90 0.82 2.54 1.43 -1.26 -4.47 118.68 122.45 2eei s LEU 51 Ca -0.03 0.64 -0.11 0.00 -1.03 0.00 0.00 54.13 53.60 2eei s LEU 51 Cb -0.15 -3.52 0.08 0.00 0.03 0.00 0.00 46.19 42.63 2eei s LEU 51 CO 0.01 -0.37 1.09 0.00 0.23 0.00 0.00 176.35 177.31 2eei s ALA 52 N -2.42 2.05 -1.58 4.21 0.00 -1.26 -3.50 121.76 119.25 2eei s ALA 52 Ca 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2eei s ALA 52 Cb -0.10 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.86 2eei s ALA 52 CO 0.38 -1.90 0.00 -0.25 0.00 0.00 0.00 175.76 173.99 2eei n ASP 53 N -3.57 -4.68 -4.58 0.00 9.92 0.58 -4.86 116.55 109.37 2eei n ASP 53 Ca 0.07 0.24 -0.42 0.00 -0.53 0.00 0.00 54.79 54.15 2eei n ASP 53 Cb 0.55 -4.06 -0.06 0.00 -0.64 0.00 0.00 41.12 36.91 2eei n ASP 53 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 2eei s ASP 54 N -2.21 6.49 -0.22 -2.24 1.11 -1.01 -4.76 116.67 113.83 2eei s ASP 54 Ca 0.00 0.26 -0.32 0.00 0.18 0.00 0.00 52.55 52.67 2eei s ASP 54 Cb 0.00 -2.36 -0.09 0.00 1.07 0.00 0.00 42.92 41.54 2eei s ASP 54 CO 0.00 -0.66 2.12 1.57 1.18 0.00 0.00 175.17 179.38 2eei n HIS 55 N 6.22 1.96 -1.93 4.23 -0.00 -1.26 -2.56 115.22 121.88 2eei n HIS 55 Ca 0.01 0.02 -0.41 0.00 -0.00 0.00 0.00 57.72 57.34 2eei n HIS 55 Cb 0.48 -2.65 -0.03 0.00 -0.00 0.00 0.00 29.99 27.79 2eei n HIS 55 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 2eei s LEU 56 N 6.79 3.42 -0.01 0.27 2.96 -0.99 -4.01 118.68 127.11 2eei s LEU 56 Ca 1.01 1.03 -0.24 0.00 -0.22 0.00 0.00 54.13 55.71 2eei s LEU 56 Cb -0.60 -3.10 -0.17 0.00 0.50 0.00 0.00 46.19 42.83 2eei s LEU 56 CO 0.44 -2.07 1.15 0.40 -1.32 0.00 0.00 176.35 174.96 2eei h ILE 57 N 6.96 0.78 -3.40 6.68 1.08 -1.08 -3.32 117.51 125.20 2eei h ILE 57 Ca -0.31 -0.75 -0.04 0.00 -0.39 0.00 0.00 64.86 63.37 2eei h ILE 57 Cb 1.18 1.17 -0.06 0.00 -3.07 0.00 0.00 36.82 36.04 2eei h ILE 57 CO 1.10 0.15 0.05 -1.83 -0.69 0.00 0.00 178.15 176.92 2eei s GLU 58 N -4.35 1.79 -0.22 2.37 -1.05 -1.21 -1.48 118.70 114.56 2eei s GLU 58 Ca -0.14 -1.28 -0.04 0.00 -0.15 0.00 0.00 54.97 53.37 2eei s GLU 58 Cb 0.02 0.54 0.07 0.00 -0.44 0.00 0.00 34.13 34.32 2eei s GLU 58 CO 0.54 -0.79 0.09 0.08 0.95 0.00 0.00 175.26 176.13 2eei s VAL 59 N -3.55 0.13 -0.79 1.83 1.01 -0.97 -2.99 120.40 115.07 2eei s VAL 59 Ca 0.19 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 2eei s VAL 59 Cb -0.03 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.49 2eei s VAL 59 CO 0.10 -0.40 0.43 0.59 0.00 0.00 0.00 175.10 175.82 2eei n ASN 60 N 5.19 -4.11 -1.08 3.32 3.02 0.72 -3.23 115.26 119.10 2eei n ASN 60 Ca -0.07 -0.20 -0.06 0.00 -0.03 0.00 0.00 54.58 54.22 2eei n ASN 60 Cb 0.46 -2.88 0.01 0.00 -0.61 0.00 0.00 39.78 36.76 2eei n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eei n GLY 61 N -1.21 0.44 2.72 7.41 0.00 -1.26 -4.97 105.19 108.32 2eei n GLY 61 Ca -0.04 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 2eei n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2eei s GLU 62 N -5.01 0.66 -0.46 1.61 2.02 -1.20 -5.08 118.70 111.23 2eei s GLU 62 Ca 0.10 -0.77 -0.34 0.00 0.02 0.00 0.00 54.97 53.98 2eei s GLU 62 Cb -0.05 -1.94 -0.12 0.00 0.10 0.00 0.00 34.13 32.12 2eei s GLU 62 CO 0.13 -0.86 2.29 -1.71 0.02 0.00 0.00 175.26 175.13 2eei n ASN 63 N 4.96 1.85 -0.04 -0.19 2.85 -1.26 -2.30 115.26 121.13 2eei n ASN 63 Ca -0.05 0.25 0.03 0.00 -0.11 0.00 0.00 54.58 54.70 2eei n ASN 63 Cb 0.44 -1.25 0.05 0.00 1.24 0.00 0.00 39.78 40.25 2eei n ASN 63 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 2eei n VAL 64 N 7.34 1.20 -0.32 3.44 0.24 -0.84 -4.81 118.33 124.58 2eei n VAL 64 Ca 0.45 -1.33 0.11 0.00 -2.04 0.00 0.00 64.34 61.52 2eei n VAL 64 Cb 0.24 0.28 0.22 0.00 -1.47 0.00 0.00 33.84 33.11 2eei n VAL 64 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2eei n GLU 65 N -0.77 -0.08 -1.95 7.34 1.02 -0.55 0.62 120.64 126.29 2eei n GLU 65 Ca 0.05 1.40 -0.30 0.00 -0.02 0.00 0.00 57.16 58.30 2eei n GLU 65 Cb 0.41 -2.18 0.03 0.00 -0.02 0.00 0.00 31.44 29.68 2eei n GLU 65 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2eei n ASP 66 N -5.42 5.96 -4.97 1.62 5.68 -1.26 -4.13 116.55 114.04 2eei n ASP 66 Ca 0.19 -3.77 -0.20 0.00 -0.50 0.00 0.00 54.79 50.52 2eei n ASP 66 Cb 0.62 -0.64 -0.01 0.00 -1.14 0.00 0.00 41.12 39.95 2eei n ASP 66 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2eei s ALA 67 N -3.72 4.07 0.26 2.12 0.00 0.20 -4.72 121.76 119.98 2eei s ALA 67 Ca 0.54 -1.39 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 2eei s ALA 67 Cb 0.44 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 2eei s ALA 67 CO -0.10 0.08 0.48 0.45 0.00 0.00 0.00 175.76 176.67 2eei s SER 68 N -4.08 6.39 0.42 0.00 0.15 -1.26 -3.23 113.70 112.09 2eei s SER 68 Ca 0.40 0.52 0.20 0.00 0.70 0.00 0.00 55.95 57.77 2eei s SER 68 Cb -0.09 -2.06 1.13 0.00 -1.71 0.00 0.00 66.02 63.29 2eei s SER 68 CO 0.30 -0.15 1.82 -0.74 1.20 0.00 0.00 173.24 175.67 2eei h HIS 69 N 1.64 0.54 0.00 3.44 2.76 -1.96 0.57 115.15 122.14 2eei h HIS 69 Ca -0.48 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 57.58 2eei h HIS 69 Cb 1.20 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.98 2eei h HIS 69 CO 0.55 0.10 -0.59 0.93 -1.30 0.00 0.00 177.93 177.61 2eei h GLU 70 N 0.37 0.00 -0.00 5.26 5.08 -1.99 0.03 114.58 123.32 2eei h GLU 70 Ca 0.53 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.70 2eei h GLU 70 Cb 1.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 2eei h GLU 70 CO -0.21 0.59 -0.86 0.93 -1.00 0.00 0.00 179.01 178.46 2eei h GLU 71 N 0.00 0.22 0.00 2.33 4.39 -0.29 -3.22 114.58 118.01 2eei h GLU 71 Ca -0.01 -0.23 -0.04 0.00 0.34 0.00 0.00 59.36 59.43 2eei h GLU 71 Cb 1.12 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 2eei h GLU 71 CO 0.08 0.95 -0.31 0.28 -1.16 0.00 0.00 179.01 178.85 2eei h VAL 72 N 0.13 0.73 -1.33 3.13 2.07 -1.11 -3.09 116.25 116.78 2eei h VAL 72 Ca -0.04 -1.64 0.45 0.00 0.82 0.00 0.00 66.70 66.29 2eei h VAL 72 Cb 1.47 1.47 -0.13 0.00 -1.52 0.00 0.00 31.29 32.58 2eei h VAL 72 CO 0.13 0.25 0.86 1.62 0.02 0.00 0.00 177.57 180.45 2eei h VAL 73 N -1.00 0.09 0.06 2.57 3.04 -1.13 0.67 116.25 120.54 2eei h VAL 73 Ca -0.06 -0.02 -0.16 0.00 -1.01 0.00 0.00 66.70 65.44 2eei h VAL 73 Cb 0.63 0.02 0.02 0.00 -2.01 0.00 0.00 31.29 29.95 2eei h VAL 73 CO -0.04 0.01 -0.67 -0.33 -1.01 0.00 0.00 177.57 175.53 2eei h GLU 74 N 0.06 0.35 0.00 4.17 4.39 -1.68 -2.37 114.58 119.50 2eei h GLU 74 Ca 0.84 -0.46 -0.00 0.00 0.34 0.00 0.00 59.36 60.08 2eei h GLU 74 Cb 2.64 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 31.44 2eei h GLU 74 CO -0.44 1.15 -0.01 0.87 -1.16 0.00 0.00 179.01 179.42 2eei h LYS 75 N -0.24 0.00 0.03 2.33 1.57 0.32 0.28 116.57 120.86 2eei h LYS 75 Ca -0.10 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.50 2eei h LYS 75 Cb 1.44 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.73 2eei h LYS 75 CO 0.13 0.01 -0.97 0.28 -0.57 0.00 0.00 179.45 178.33 2eei h VAL 76 N 0.00 1.19 -0.09 0.50 2.07 -0.92 -3.07 116.25 115.93 2eei h VAL 76 Ca -0.00 -2.29 -0.02 0.00 0.82 0.00 0.00 66.70 65.21 2eei h VAL 76 Cb 0.05 2.69 -0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2eei h VAL 76 CO 0.00 0.51 -0.01 0.11 0.02 0.00 0.00 177.57 178.20 2eei h LYS 77 N -0.79 0.17 -0.69 1.57 1.57 -1.09 -3.15 116.57 114.16 2eei h LYS 77 Ca -0.24 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.50 2eei h LYS 77 Cb 1.36 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.62 2eei h LYS 77 CO -0.07 0.45 0.44 0.87 -0.57 0.00 0.00 179.45 180.57 2eei h LYS 78 N -0.14 0.87 -0.76 3.15 1.57 -0.65 -2.67 116.57 117.94 2eei h LYS 78 Ca 0.02 -0.05 0.28 0.00 -1.87 0.00 0.00 60.65 59.03 2eei h LYS 78 Cb 0.38 -0.20 -0.14 0.00 0.08 0.00 0.00 32.23 32.36 2eei h LYS 78 CO 0.01 0.58 0.28 0.45 -0.57 0.00 0.00 179.45 180.19 2eei n SER 79 N -4.63 0.15 0.00 0.86 2.88 -1.16 -4.87 113.62 106.85 2eei n SER 79 Ca 0.06 1.27 0.00 0.00 -1.33 0.00 0.00 58.87 58.87 2eei n SER 79 Cb 0.04 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 2eei n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eei n GLY 80 N -1.26 0.78 0.17 0.46 0.00 -1.01 -4.84 105.19 99.49 2eei n GLY 80 Ca 0.25 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 2eei n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eei n SER 81 N 0.00 1.90 -4.75 1.61 7.64 -1.26 -4.88 113.62 113.88 2eei n SER 81 Ca 0.00 0.31 -0.22 0.00 1.01 0.00 0.00 58.87 59.97 2eei n SER 81 Cb 0.00 -0.78 -0.06 0.00 -1.01 0.00 0.00 64.21 62.37 2eei n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2eei s ARG 82 N -2.49 2.63 0.13 1.43 1.70 -1.26 -2.82 118.95 118.27 2eei s ARG 82 Ca -0.38 -1.24 -0.02 0.00 -0.47 0.00 0.00 55.73 53.62 2eei s ARG 82 Cb 0.14 -2.37 -0.04 0.00 -0.57 0.00 0.00 34.95 32.11 2eei s ARG 82 CO 0.48 0.35 0.08 0.14 -1.08 0.00 0.00 175.30 175.27 2eei s VAL 83 N -2.24 0.10 -0.28 4.99 -7.23 0.07 -4.89 120.40 110.92 2eei s VAL 83 Ca 0.33 -1.85 0.03 0.00 -1.81 0.00 0.00 61.98 58.68 2eei s VAL 83 Cb -0.07 -2.01 0.07 0.00 0.56 0.00 0.00 36.38 34.93 2eei s VAL 83 CO 0.23 -0.45 -0.07 -0.32 -0.31 0.00 0.00 175.10 174.18 2eei s MET 84 N -4.04 2.08 -0.21 4.82 1.75 -1.26 -0.97 119.30 121.47 2eei s MET 84 Ca 0.23 -1.47 -0.09 0.00 -1.25 0.00 0.00 55.69 53.11 2eei s MET 84 Cb 0.07 -2.98 -0.05 0.00 2.84 0.00 0.00 34.83 34.71 2eei s MET 84 CO 0.01 -0.66 0.11 -0.06 -0.65 0.00 0.00 175.02 173.78 2eei s PHE 85 N 1.06 3.31 -0.23 4.11 0.08 0.60 -0.20 117.98 126.71 2eei s PHE 85 Ca -0.04 0.17 0.02 0.00 0.12 0.00 0.00 56.93 57.19 2eei s PHE 85 Cb -0.20 -2.17 0.04 0.00 -0.57 0.00 0.00 43.02 40.12 2eei s PHE 85 CO -0.05 0.14 -0.13 -1.17 -0.10 0.00 0.00 175.22 173.90 2eei s LEU 86 N 0.65 2.99 0.31 -0.37 2.96 -1.16 0.61 118.68 124.66 2eei s LEU 86 Ca 0.06 -1.08 0.03 0.00 -0.22 0.00 0.00 54.13 52.92 2eei s LEU 86 Cb -0.12 -1.54 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 2eei s LEU 86 CO 0.01 -0.12 0.11 -0.76 -1.32 0.00 0.00 176.35 174.27 2eei s LEU 87 N 1.20 1.80 0.11 -0.68 1.02 -1.20 -0.48 118.68 120.45 2eei s LEU 87 Ca -0.03 -1.47 0.10 0.00 0.02 0.00 0.00 54.13 52.75 2eei s LEU 87 Cb -0.17 -0.02 -0.04 0.00 0.02 0.00 0.00 46.19 45.98 2eei s LEU 87 CO -0.08 -0.78 -0.26 -0.69 0.02 0.00 0.00 176.35 174.57 2eei s VAL 88 N -3.55 2.11 -0.02 -1.59 1.01 -1.26 -2.84 120.40 114.27 2eei s VAL 88 Ca 0.35 -1.63 -0.30 0.00 0.00 0.00 0.00 61.98 60.40 2eei s VAL 88 Cb 0.06 -1.87 -0.07 0.00 0.00 0.00 0.00 36.38 34.51 2eei s VAL 88 CO 0.15 0.12 1.85 -1.81 0.00 0.00 0.00 175.10 175.41 2eei s ASP 89 N -1.84 6.47 0.62 3.32 1.11 -1.26 -4.42 116.67 120.66 2eei s ASP 89 Ca 0.12 2.42 0.25 0.00 0.18 0.00 0.00 52.55 55.52 2eei s ASP 89 Cb -0.10 -2.53 1.16 0.00 1.07 0.00 0.00 42.92 42.52 2eei s ASP 89 CO 0.05 -1.07 1.61 0.07 1.18 0.00 0.00 175.17 177.01 2eei h LYS 90 N 10.46 0.00 -0.34 8.23 -0.00 -1.85 0.76 116.57 133.84 2eei h LYS 90 Ca -0.45 0.00 -0.14 0.00 -0.00 0.00 0.00 60.65 60.07 2eei h LYS 90 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.43 2eei h LYS 90 CO 0.95 0.00 -0.34 0.93 -0.00 0.00 0.00 179.45 180.99 2eei h GLU 91 N 0.00 0.75 0.04 0.07 5.08 -1.98 -3.32 114.58 115.21 2eei h GLU 91 Ca 0.25 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2eei h GLU 91 Cb 1.75 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.99 2eei h GLU 91 CO -0.00 0.98 -0.02 1.15 -1.00 0.00 0.00 179.01 180.12 2eei h THR 92 N 0.63 0.70 -3.41 1.13 2.02 0.16 -3.45 112.91 110.69 2eei h THR 92 Ca 0.06 -1.45 -0.52 0.00 0.77 0.00 0.00 66.41 65.27 2eei h THR 92 Cb 0.87 1.31 0.04 0.00 -1.74 0.00 0.00 68.15 68.63 2eei h THR 92 CO 0.08 0.23 0.66 1.51 0.37 0.00 0.00 175.52 178.37 2eei s ASP 93 N -5.74 6.87 0.03 4.18 1.47 -0.87 -4.95 116.67 117.65 2eei s ASP 93 Ca -0.08 2.44 -0.30 0.00 1.18 0.00 0.00 52.55 55.79 2eei s ASP 93 Cb -0.01 -2.61 -0.07 0.00 -0.34 0.00 0.00 42.92 39.89 2eei s ASP 93 CO 0.30 -0.54 1.53 -0.54 0.68 0.00 0.00 175.17 176.60 2eei s LYS 94 N -0.23 4.24 0.16 2.11 -0.14 -1.26 -4.75 119.74 119.86 2eei s LYS 94 Ca 0.57 2.15 -0.24 0.00 -1.36 0.00 0.00 55.97 57.08 2eei s LYS 94 Cb -0.37 -3.61 -0.08 0.00 -1.68 0.00 0.00 37.83 32.09 2eei s LYS 94 CO 0.39 -0.67 0.74 0.50 -0.76 0.00 0.00 175.35 175.56 2eei s ARG 95 N 2.61 4.49 -0.98 1.68 6.06 -1.26 -5.00 118.95 126.54 2eei s ARG 95 Ca 0.69 1.07 -0.20 0.00 -2.50 0.00 0.00 55.73 54.80 2eei s ARG 95 Cb -0.35 -3.22 0.11 0.00 0.06 0.00 0.00 34.95 31.54 2eei s ARG 95 CO 0.29 0.57 1.25 -1.01 -2.50 0.00 0.00 175.30 173.90 2eei s HIS 96 N -1.18 2.98 0.15 5.12 3.76 -1.26 -4.99 115.29 119.87 2eei s HIS 96 Ca 0.35 -1.29 -0.34 0.00 -0.15 0.00 0.00 55.06 53.63 2eei s HIS 96 Cb -0.22 -4.41 -0.14 0.00 1.11 0.00 0.00 32.58 28.92 2eei s HIS 96 CO 0.25 -1.61 1.56 1.33 -0.85 0.00 0.00 174.74 175.42 2eei n VAL 97 N 5.84 0.01 0.00 -0.90 0.24 -1.26 -4.85 118.33 117.41 2eei n VAL 97 Ca 0.28 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.58 2eei n VAL 97 Cb 0.49 -1.49 0.00 0.00 -1.47 0.00 0.00 33.84 31.37 2eei n VAL 97 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2eei n GLU 98 N 3.39 0.41 -3.28 7.34 2.13 -1.26 -5.07 120.64 124.31 2eei n GLU 98 Ca 0.17 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.62 2eei n GLU 98 Cb 0.28 -0.77 -0.06 0.00 0.27 0.00 0.00 31.44 31.16 2eei n GLU 98 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 2eei s GLN 99 N -1.55 4.12 0.70 5.31 0.74 -1.26 -5.09 119.66 122.63 2eei s GLN 99 Ca 0.00 0.66 0.00 0.00 0.05 0.00 0.00 55.36 56.07 2eei s GLN 99 Cb 0.00 -3.05 0.12 0.00 1.10 0.00 0.00 33.01 31.18 2eei s GLN 99 CO 0.00 0.53 0.97 0.15 -0.55 0.00 0.00 175.29 176.39 2eei s LYS 100 N -1.62 1.77 -0.25 1.67 1.02 -1.26 -5.09 119.74 115.99 2eei s LYS 100 Ca 0.35 -1.13 0.00 0.00 0.02 0.00 0.00 55.97 55.21 2eei s LYS 100 Cb -0.17 -2.36 0.04 0.00 -0.52 0.00 0.00 37.83 34.81 2eei s LYS 100 CO 0.19 -1.36 -0.09 -1.54 -0.92 0.00 0.00 175.35 171.63 2eei s SER 101 N -4.71 4.21 -0.30 2.83 1.04 -1.26 -5.07 113.70 110.44 2eei s SER 101 Ca 0.65 -1.04 -0.16 0.00 0.48 0.00 0.00 55.95 55.89 2eei s SER 101 Cb -0.06 -1.60 0.16 0.00 0.10 0.00 0.00 66.02 64.62 2eei s SER 101 CO 0.44 -0.14 1.00 -0.83 0.98 0.00 0.00 173.24 174.69 2eei s GLY 102 N 1.24 -0.07 0.66 7.32 0.00 -1.26 -5.17 107.32 110.05 2eei s GLY 102 Ca -0.02 3.13 -0.15 0.00 0.00 0.00 0.00 44.72 47.68 2eei s GLY 102 CO -0.06 2.94 1.11 2.56 0.00 0.00 0.00 173.10 179.65 2eei s PRO 103 N 1.90 2.78 0.08 2.90 0.04 -1.26 -5.01 135.00 136.43 2eei s PRO 103 Ca -0.06 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.36 2eei s PRO 103 Cb -0.05 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2eei s PRO 103 CO -0.16 -1.27 0.00 0.45 0.04 0.00 0.00 177.00 176.06 2eei n SER 104 N -2.47 0.81 -4.58 6.66 2.88 -1.26 -4.99 113.62 110.68 2eei n SER 104 Ca 0.10 0.11 -0.42 0.00 -1.33 0.00 0.00 58.87 57.34 2eei n SER 104 Cb 0.52 -0.24 -0.03 0.00 -0.75 0.00 0.00 64.21 63.71 2eei n SER 104 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2eei n SER 105 N -3.37 2.94 0.00 -3.46 7.64 -1.26 -5.38 113.62 110.73 2eei n SER 105 Ca 0.00 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2eei n SER 105 Cb 0.12 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 61.78 2eei n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64