#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 6.30 -0.18 1.61 0.15 -1.26 -5.07 113.70 115.25 2eei s SER 2 Ca 0.00 0.34 -0.07 0.00 0.70 0.00 0.00 55.95 56.92 2eei s SER 2 Cb 0.00 -2.14 0.08 0.00 -1.71 0.00 0.00 66.02 62.25 2eei s SER 2 CO 0.00 0.11 0.38 -0.44 1.20 0.00 0.00 173.24 174.49 2eei s SER 3 N 0.56 -0.16 0.07 5.45 0.01 -1.26 -5.15 113.70 113.23 2eei s SER 3 Ca 0.12 0.88 -0.25 0.00 1.31 0.00 0.00 55.95 58.01 2eei s SER 3 Cb -0.12 1.11 -0.06 0.00 0.21 0.00 0.00 66.02 67.15 2eei s SER 3 CO 0.02 -0.23 0.77 -0.83 0.41 0.00 0.00 173.24 173.38 2eei s GLY 4 N 2.37 2.82 0.20 3.44 0.00 -1.26 -5.06 107.32 109.83 2eei s GLY 4 Ca -0.02 0.30 -0.05 0.00 0.00 0.00 0.00 44.72 44.94 2eei s GLY 4 CO -0.12 1.03 0.23 -0.56 0.00 0.00 0.00 173.10 173.68 2eei s SER 5 N -0.33 0.10 0.76 1.64 0.01 -1.26 -5.17 113.70 109.44 2eei s SER 5 Ca 0.38 -1.17 -0.09 0.00 1.31 0.00 0.00 55.95 56.39 2eei s SER 5 Cb -0.21 0.43 0.09 0.00 0.21 0.00 0.00 66.02 66.53 2eei s SER 5 CO 0.24 -0.91 1.09 -0.94 0.41 0.00 0.00 173.24 173.13 2eei s SER 6 N -3.08 4.50 0.00 2.44 1.04 -1.26 -4.92 113.70 112.43 2eei s SER 6 Ca 0.29 0.45 0.00 0.00 0.48 0.00 0.00 55.95 57.17 2eei s SER 6 Cb 0.05 -0.97 0.00 0.00 0.10 0.00 0.00 66.02 65.20 2eei s SER 6 CO 0.08 -1.83 0.00 0.61 0.98 0.00 0.00 173.24 173.08 2eei n GLY 7 N -3.11 -1.33 0.47 7.32 0.00 -1.26 -5.00 105.19 102.28 2eei n GLY 7 Ca 0.09 0.47 -0.15 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.58 0.00 1.61 7.50 -2.02 -3.43 115.11 118.19 2eei h GLN 8 Ca 0.00 0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.19 2eei h GLN 8 Cb 0.00 0.13 0.00 0.00 0.05 0.00 0.00 27.48 27.66 2eei h GLN 8 CO 0.00 -0.39 0.00 -0.35 -1.50 0.00 0.00 178.83 176.59 2eei n PRO 9 N -5.44 -0.72 -4.02 1.46 -0.04 -1.26 -5.04 135.00 119.95 2eei n PRO 9 Ca -0.06 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.08 2eei n PRO 9 Cb 0.38 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.69 2eei n PRO 9 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2eei s ARG 10 N -2.55 1.85 -0.29 0.54 3.52 -1.09 -5.06 118.95 115.88 2eei s ARG 10 Ca 0.00 -1.42 -0.29 0.00 -0.13 0.00 0.00 55.73 53.90 2eei s ARG 10 Cb 0.00 -2.88 -0.02 0.00 -1.56 0.00 0.00 34.95 30.48 2eei s ARG 10 CO 0.00 -0.69 1.73 -1.17 -0.81 0.00 0.00 175.30 174.36 2eei s LEU 11 N 1.12 3.65 -0.52 -0.88 1.98 -1.26 -3.78 118.68 118.99 2eei s LEU 11 Ca -0.02 1.43 -0.16 0.00 -2.89 0.00 0.00 54.13 52.48 2eei s LEU 11 Cb -0.19 -3.53 0.10 0.00 0.66 0.00 0.00 46.19 43.23 2eei s LEU 11 CO -0.07 -1.54 0.49 0.00 -1.89 0.00 0.00 176.35 173.34 2eei s TYR 13 N 1.81 2.70 0.23 0.00 5.04 -1.26 -0.93 117.35 124.93 2eei s TYR 13 Ca 0.05 -0.27 -0.20 0.00 -2.44 0.00 0.00 57.07 54.22 2eei s TYR 13 Cb -0.26 -4.21 -0.08 0.00 0.35 0.00 0.00 41.96 37.75 2eei s TYR 13 CO 0.05 -1.55 0.74 -0.51 -1.34 0.00 0.00 175.55 172.94 2eei s LEU 14 N 4.14 4.34 -0.18 6.97 2.01 -0.14 -4.76 118.68 131.06 2eei s LEU 14 Ca 0.27 1.44 -0.04 0.00 0.01 0.00 0.00 54.13 55.81 2eei s LEU 14 Cb -0.14 -3.62 0.08 0.00 0.01 0.00 0.00 46.19 42.52 2eei s LEU 14 CO 0.15 0.02 0.20 -0.69 1.01 0.00 0.00 176.35 177.04 2eei s VAL 15 N -1.53 -0.29 -0.59 -1.59 1.01 -1.26 -1.66 120.40 114.48 2eei s VAL 15 Ca 0.44 -0.06 -0.37 0.00 0.00 0.00 0.00 61.98 61.99 2eei s VAL 15 Cb -0.17 -0.62 -0.17 0.00 0.00 0.00 0.00 36.38 35.43 2eei s VAL 15 CO 0.21 -0.17 2.32 0.29 0.00 0.00 0.00 175.10 177.76 2eei n LYS 16 N 5.32 0.36 -0.05 2.72 5.02 -1.08 -4.78 118.16 125.66 2eei n LYS 16 Ca -0.06 0.08 -0.06 0.00 -2.02 0.00 0.00 58.31 56.25 2eei n LYS 16 Cb 0.49 -1.90 -0.02 0.00 -0.02 0.00 0.00 35.03 33.59 2eei n LYS 16 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2eei n GLU 17 N 8.06 0.35 -4.59 1.97 4.07 -1.26 -5.01 120.64 124.23 2eei n GLU 17 Ca 0.53 0.14 -0.29 0.00 -0.06 0.00 0.00 57.16 57.48 2eei n GLU 17 Cb 0.09 -1.10 -0.17 0.00 -0.06 0.00 0.00 31.44 30.21 2eei n GLU 17 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2eei s GLY 18 N -4.40 1.08 0.00 8.31 0.00 -1.26 -5.02 107.32 106.04 2eei s GLY 18 Ca -0.19 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 43.76 2eei s GLY 18 CO 0.29 0.12 0.00 0.61 0.00 0.00 0.00 173.10 174.11 2eei n GLY 19 N 4.05 0.62 3.69 0.20 0.00 -1.26 -4.42 105.19 108.08 2eei n GLY 19 Ca -0.20 0.79 -0.23 0.00 0.00 0.00 0.00 46.02 46.39 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 4.80 0.98 1.61 0.01 -1.26 -5.05 113.70 110.79 2eei s SER 20 Ca 0.00 -0.53 -0.10 0.00 1.31 0.00 0.00 55.95 56.63 2eei s SER 20 Cb 0.00 -0.99 0.15 0.00 0.21 0.00 0.00 66.02 65.39 2eei s SER 20 CO 0.00 -0.00 0.35 -1.22 0.41 0.00 0.00 173.24 172.77 2eei n TYR 21 N -0.93 -2.34 -1.66 2.43 4.02 -1.26 -4.86 117.16 112.55 2eei n TYR 21 Ca -0.07 -0.21 -0.06 0.00 -0.01 0.00 0.00 57.90 57.55 2eei n TYR 21 Cb 0.59 -0.74 0.15 0.00 -0.02 0.00 0.00 39.34 39.32 2eei n TYR 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2eei n GLY 22 N -1.82 5.44 3.11 2.72 0.00 -1.26 -4.83 105.19 108.56 2eei n GLY 22 Ca 0.06 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 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 -3.36 -0.01 0.26 1.61 -0.12 -1.26 -1.47 117.98 113.63 2eei s PHE 23 Ca 0.44 -0.02 0.11 0.00 -0.05 0.00 0.00 56.93 57.42 2eei s PHE 23 Cb 0.40 -0.02 -0.05 0.00 -0.63 0.00 0.00 43.02 42.72 2eei s PHE 23 CO -0.02 -0.27 -0.20 -1.12 -0.05 0.00 0.00 175.22 173.56 2eei s SER 24 N -1.18 3.46 -0.07 1.98 0.01 -0.72 -5.00 113.70 112.17 2eei s SER 24 Ca -0.13 -1.01 0.02 0.00 1.31 0.00 0.00 55.95 56.14 2eei s SER 24 Cb -0.07 -0.28 0.02 0.00 0.21 0.00 0.00 66.02 65.90 2eei s SER 24 CO 0.02 0.03 -0.11 -0.76 0.41 0.00 0.00 173.24 172.82 2eei s LEU 25 N -3.37 1.56 0.02 2.44 1.43 -1.26 -2.66 118.68 116.84 2eei s LEU 25 Ca 0.28 -0.30 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 2eei s LEU 25 Cb -0.05 -0.83 -0.02 0.00 0.03 0.00 0.00 46.19 45.33 2eei s LEU 25 CO 0.13 0.00 -0.12 -1.59 0.23 0.00 0.00 176.35 175.01 2eei s LYS 26 N 0.86 0.85 0.03 1.70 -2.85 -1.26 -5.02 119.74 114.05 2eei s LYS 26 Ca -0.11 -0.62 -0.10 0.00 -1.00 0.00 0.00 55.97 54.14 2eei s LYS 26 Cb -0.15 -0.83 -0.05 0.00 -2.06 0.00 0.00 37.83 34.74 2eei s LYS 26 CO 0.01 0.21 0.35 0.95 0.10 0.00 0.00 175.35 176.98 2eei s THR 27 N -0.69 5.16 0.15 3.79 -4.23 -1.26 -4.28 115.64 114.27 2eei s THR 27 Ca 0.01 0.46 0.06 0.00 -1.18 0.00 0.00 61.69 61.05 2eei s THR 27 Cb -0.07 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.11 2eei s THR 27 CO 0.01 0.40 0.01 -0.69 -0.54 0.00 0.00 174.62 173.81 2eei s VAL 28 N -1.27 3.89 -1.20 2.29 1.01 -1.26 -5.05 120.40 118.81 2eei s VAL 28 Ca 0.28 -1.25 -0.19 0.00 0.00 0.00 0.00 61.98 60.82 2eei s VAL 28 Cb -0.14 -2.92 0.08 0.00 0.00 0.00 0.00 36.38 33.39 2eei s VAL 28 CO 0.15 -0.04 1.60 -1.58 0.00 0.00 0.00 175.10 175.24 2eei s GLN 29 N -2.76 3.88 0.00 2.72 2.00 -1.26 -3.42 119.66 120.83 2eei s GLN 29 Ca 0.27 -1.85 0.00 0.00 -2.00 0.00 0.00 55.36 51.78 2eei s GLN 29 Cb -0.10 -5.40 0.00 0.00 0.80 0.00 0.00 33.01 28.31 2eei s GLN 29 CO 0.19 -2.16 0.00 0.41 -0.50 0.00 0.00 175.29 173.23 2eei n GLY 30 N 5.61 1.34 2.16 2.59 0.00 -1.26 -5.13 105.19 110.49 2eei n GLY 30 Ca 0.42 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.27 2eei n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2eei n LYS 31 N 0.00 -1.61 -4.41 1.61 4.76 -1.22 -5.09 118.16 112.20 2eei n LYS 31 Ca 0.00 -1.11 -0.26 0.00 -2.87 0.00 0.00 58.31 54.07 2eei n LYS 31 Cb 0.00 -0.90 -0.11 0.00 -1.84 0.00 0.00 35.03 32.18 2eei n LYS 31 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2eei s LYS 32 N -4.57 1.64 0.25 1.97 -2.85 -1.26 -4.88 119.74 110.03 2eei s LYS 32 Ca 0.43 -1.52 0.00 0.00 -1.00 0.00 0.00 55.97 53.88 2eei s LYS 32 Cb -0.03 -1.89 0.00 0.00 -2.06 0.00 0.00 37.83 33.85 2eei s LYS 32 CO 0.32 0.39 0.00 0.41 0.10 0.00 0.00 175.35 176.57 2eei n GLY 33 N 0.08 2.12 3.29 0.59 0.00 -0.40 -4.78 105.19 106.09 2eei n GLY 33 Ca -0.11 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 2eei n GLY 33 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2eei s VAL 34 N 0.00 0.02 -0.15 1.61 -7.23 -1.26 -4.70 120.40 108.68 2eei s VAL 34 Ca 0.00 -1.81 -0.23 0.00 -1.81 0.00 0.00 61.98 58.13 2eei s VAL 34 Cb 0.00 -2.33 0.06 0.00 0.56 0.00 0.00 36.38 34.66 2eei s VAL 34 CO 0.00 -0.07 0.59 -0.72 -0.31 0.00 0.00 175.10 174.59 2eei s TYR 35 N -4.10 -0.61 0.01 2.82 -0.85 -1.26 -2.61 117.35 110.75 2eei s TYR 35 Ca 0.32 1.33 -0.34 0.00 -0.52 0.00 0.00 57.07 57.86 2eei s TYR 35 Cb 0.05 0.26 -0.13 0.00 0.38 0.00 0.00 41.96 42.53 2eei s TYR 35 CO 0.09 -0.41 1.76 -1.33 -1.52 0.00 0.00 175.55 174.14 2eei n MET 36 N 2.05 2.15 -0.04 -3.49 2.81 -0.97 -4.11 117.12 115.51 2eei n MET 36 Ca -0.16 0.78 -0.06 0.00 -1.81 0.00 0.00 57.70 56.45 2eei n MET 36 Cb 0.56 -2.59 -0.04 0.00 -0.71 0.00 0.00 33.22 30.44 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 4.44 0.48 -3.95 2.03 5.66 -1.09 0.23 114.28 122.09 2eei n THR 37 Ca 0.20 -0.20 -0.35 0.00 -3.05 0.00 0.00 64.05 60.66 2eei n THR 37 Cb 0.29 -0.80 -0.14 0.00 -1.55 0.00 0.00 70.33 68.12 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 -4.71 4.25 -0.63 1.09 2.15 -1.26 -4.20 116.67 113.35 2eei s ASP 38 Ca -0.11 -0.74 -0.01 0.00 0.43 0.00 0.00 52.55 52.13 2eei s ASP 38 Cb 0.03 -1.68 0.16 0.00 -0.30 0.00 0.00 42.92 41.13 2eei s ASP 38 CO 0.20 -0.10 0.43 -0.63 -0.17 0.00 0.00 175.17 174.91 2eei s ILE 39 N 1.37 3.48 0.07 4.11 -1.09 -1.26 -1.75 121.20 126.13 2eei s ILE 39 Ca 0.02 -3.21 -0.36 0.00 -2.23 0.00 0.00 60.65 54.88 2eei s ILE 39 Cb -0.16 -3.28 -0.19 0.00 -1.58 0.00 0.00 42.46 37.25 2eei s ILE 39 CO -0.05 -0.89 0.88 0.41 -1.23 0.00 0.00 174.94 174.07 2eei n THR 40 N 3.20 0.70 -2.22 2.92 -1.04 -0.54 -4.74 114.28 112.57 2eei n THR 40 Ca 0.09 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.05 61.51 2eei n THR 40 Cb 0.36 -0.01 -0.03 0.00 -1.82 0.00 0.00 70.33 68.83 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 -0.35 4.37 -1.59 -2.82 0.04 -1.26 -3.17 135.00 130.22 2eei s PRO 41 Ca 0.81 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 63.76 2eei s PRO 41 Cb -1.15 -3.22 0.11 0.00 0.04 0.00 0.00 34.50 30.28 2eei s PRO 41 CO 0.57 -0.31 0.81 0.94 0.04 0.00 0.00 177.00 179.04 2eei n GLN 42 N 3.14 -4.09 -1.63 4.56 7.27 -1.26 -4.95 117.38 120.42 2eei n GLN 42 Ca 0.08 0.47 0.00 0.00 0.07 0.00 0.00 57.00 57.62 2eei n GLN 42 Cb 0.43 -5.17 0.00 0.00 2.41 0.00 0.00 30.24 27.91 2eei n GLN 42 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2eei n GLY 43 N -1.59 4.66 0.36 1.69 0.00 -1.19 -4.90 105.19 104.22 2eei n GLY 43 Ca -0.00 -2.18 0.10 0.00 0.00 0.00 0.00 46.02 43.94 2eei n GLY 43 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2eei h VAL 44 N 0.79 0.84 0.00 1.61 2.07 -1.86 0.97 116.25 120.67 2eei h VAL 44 Ca 0.00 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2eei h VAL 44 Cb 0.00 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.69 2eei h VAL 44 CO 0.00 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.75 2eei n ALA 45 N -2.37 -0.15 -0.54 1.67 0.00 -1.25 -2.23 120.51 115.64 2eei n ALA 45 Ca 0.20 0.00 0.44 0.00 0.00 0.00 0.00 53.44 54.08 2eei n ALA 45 Cb 0.45 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.65 2eei n ALA 45 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2eei h MET 46 N 0.00 0.03 -0.30 0.00 -1.53 -1.63 0.96 114.93 112.46 2eei h MET 46 Ca 0.00 -0.00 -0.11 0.00 -3.44 0.00 0.00 59.70 56.15 2eei h MET 46 Cb 0.00 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.04 2eei h MET 46 CO 0.00 0.02 -0.23 0.00 0.14 0.00 0.00 176.91 176.84 2eei h ARG 47 N 0.03 0.69 0.00 0.39 2.47 -0.86 -2.77 114.38 114.34 2eei h ARG 47 Ca 0.81 -0.34 0.00 0.00 -1.26 0.00 0.00 59.98 59.19 2eei h ARG 47 Cb 3.03 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 31.35 2eei h ARG 47 CO -0.12 0.94 0.00 0.00 0.56 0.00 0.00 179.97 181.35 2eei h ALA 48 N 0.73 1.00 -0.18 0.04 0.00 0.14 -3.46 119.26 117.54 2eei h ALA 48 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2eei h ALA 48 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2eei h ALA 48 CO 0.06 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.72 2eei n GLY 49 N -0.70 1.19 3.83 0.00 0.00 -0.99 -4.38 105.19 104.15 2eei n GLY 49 Ca -0.01 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.18 4.91 0.31 1.61 0.11 -1.23 -4.87 120.40 119.06 2eei s VAL 50 Ca 0.00 -0.52 0.08 0.00 -2.93 0.00 0.00 61.98 58.61 2eei s VAL 50 Cb 0.00 -3.34 -0.04 0.00 -1.53 0.00 0.00 36.38 31.47 2eei s VAL 50 CO 0.00 0.20 0.18 -0.76 -3.33 0.00 0.00 175.10 171.39 2eei s LEU 51 N -2.24 3.46 0.80 2.54 1.43 -1.26 -4.49 118.68 118.92 2eei s LEU 51 Ca 0.29 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 52.70 2eei s LEU 51 Cb -0.12 -1.99 0.07 0.00 0.03 0.00 0.00 46.19 44.17 2eei s LEU 51 CO 0.22 -0.23 1.11 0.00 0.23 0.00 0.00 176.35 177.68 2eei s ALA 52 N -2.32 2.34 -0.66 4.21 0.00 -1.26 -3.66 121.76 120.40 2eei s ALA 52 Ca 0.37 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.00 2eei s ALA 52 Cb -0.05 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.01 2eei s ALA 52 CO 0.24 -1.69 0.00 -3.47 0.00 0.00 0.00 175.76 170.84 2eei n ASP 53 N -3.39 -2.74 -4.56 0.00 2.03 0.64 -4.58 116.55 103.96 2eei n ASP 53 Ca 0.07 0.30 -0.43 0.00 0.52 0.00 0.00 54.79 55.25 2eei n ASP 53 Cb 0.57 -2.41 -0.04 0.00 -0.72 0.00 0.00 41.12 38.52 2eei n ASP 53 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2eei s ASP 54 N -1.99 6.46 -0.22 1.67 1.11 -0.74 -4.60 116.67 118.35 2eei s ASP 54 Ca 0.00 0.02 -0.34 0.00 0.18 0.00 0.00 52.55 52.41 2eei s ASP 54 Cb 0.00 -2.45 -0.11 0.00 1.07 0.00 0.00 42.92 41.44 2eei s ASP 54 CO 0.00 -1.08 2.05 1.57 1.18 0.00 0.00 175.17 178.89 2eei n HIS 55 N 7.22 1.97 -1.97 4.23 -0.00 -1.26 -2.30 115.22 123.11 2eei n HIS 55 Ca 0.05 0.11 -0.42 0.00 0.46 0.00 0.00 57.72 57.92 2eei n HIS 55 Cb 0.48 -2.61 -0.03 0.00 -0.12 0.00 0.00 29.99 27.71 2eei n HIS 55 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2eei s LEU 56 N 6.06 4.37 -0.24 0.27 2.96 -1.07 -4.04 118.68 126.98 2eei s LEU 56 Ca 1.01 2.51 -0.17 0.00 -0.22 0.00 0.00 54.13 57.27 2eei s LEU 56 Cb -0.71 -3.58 -0.14 0.00 0.50 0.00 0.00 46.19 42.26 2eei s LEU 56 CO 0.49 -0.82 -0.14 -0.38 -1.32 0.00 0.00 176.35 174.17 2eei n ILE 57 N 4.28 1.52 -3.89 6.68 2.08 -0.02 -4.08 119.36 125.94 2eei n ILE 57 Ca 0.14 -0.19 -0.08 0.00 0.56 0.00 0.00 62.75 63.18 2eei n ILE 57 Cb 0.40 -1.99 -0.02 0.00 -0.75 0.00 0.00 39.64 37.27 2eei n ILE 57 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2eei s GLU 58 N -2.47 1.81 -0.06 0.38 -1.05 -1.24 -2.10 118.70 113.98 2eei s GLU 58 Ca -0.33 -1.14 -0.01 0.00 -0.15 0.00 0.00 54.97 53.33 2eei s GLU 58 Cb 0.10 0.58 0.03 0.00 -0.44 0.00 0.00 34.13 34.40 2eei s GLU 58 CO 0.51 -0.82 0.00 0.08 0.95 0.00 0.00 175.26 175.99 2eei s VAL 59 N -3.66 0.31 -1.45 1.83 1.01 -0.45 -3.06 120.40 114.92 2eei s VAL 59 Ca 0.15 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.26 2eei s VAL 59 Cb -0.05 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.88 2eei s VAL 59 CO 0.09 0.23 0.00 0.59 0.00 0.00 0.00 175.10 176.01 2eei n ASN 60 N 4.93 -4.46 -0.39 3.32 4.13 0.86 -1.71 115.26 121.94 2eei n ASN 60 Ca -0.11 0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.37 2eei n ASN 60 Cb 0.50 -3.86 0.00 0.00 -1.54 0.00 0.00 39.78 34.88 2eei n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2eei n GLY 61 N -0.67 0.86 2.76 7.41 0.00 -1.26 -4.95 105.19 109.35 2eei n GLY 61 Ca -0.17 -0.41 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.01 0.23 -0.31 1.61 2.02 -0.69 -5.10 118.70 113.44 2eei s GLU 62 Ca 0.00 0.15 -0.37 0.00 0.02 0.00 0.00 54.97 54.77 2eei s GLU 62 Cb 0.00 -1.05 -0.13 0.00 0.10 0.00 0.00 34.13 33.05 2eei s GLU 62 CO 0.00 -0.73 2.04 0.09 0.02 0.00 0.00 175.26 176.68 2eei n ASN 63 N 5.32 2.24 -0.12 -0.19 4.13 -1.26 -1.35 115.26 124.03 2eei n ASN 63 Ca -0.05 0.65 0.06 0.00 1.68 0.00 0.00 54.58 56.93 2eei n ASN 63 Cb 0.49 -1.22 0.08 0.00 -1.54 0.00 0.00 39.78 37.59 2eei n ASN 63 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 2eei n VAL 64 N 6.30 1.31 -0.24 2.41 0.24 -0.89 -4.71 118.33 122.75 2eei n VAL 64 Ca 0.37 -1.54 0.20 0.00 -2.04 0.00 0.00 64.34 61.33 2eei n VAL 64 Cb 0.19 0.09 0.53 0.00 -1.47 0.00 0.00 33.84 33.18 2eei n VAL 64 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2eei h GLU 65 N 0.00 0.35 0.00 7.34 5.08 -1.66 -1.62 114.58 124.07 2eei h GLU 65 Ca 0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2eei h GLU 65 Cb 0.97 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 2eei h GLU 65 CO 0.00 0.23 -1.71 -3.47 -1.00 0.00 0.00 179.01 173.06 2eei n ASP 66 N -4.49 1.53 -4.64 1.42 2.03 -1.26 -1.28 116.55 109.86 2eei n ASP 66 Ca 0.19 0.00 -0.53 0.00 0.52 0.00 0.00 54.79 54.98 2eei n ASP 66 Cb 0.73 1.63 -0.06 0.00 -0.72 0.00 0.00 41.12 42.70 2eei n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2eei n ALA 67 N -2.06 -0.37 -0.94 -1.67 0.00 -0.61 -3.23 120.51 111.62 2eei n ALA 67 Ca -0.04 0.46 -0.31 0.00 0.00 0.00 0.00 53.44 53.54 2eei n ALA 67 Cb 0.44 -2.18 0.14 0.00 0.00 0.00 0.00 19.45 17.85 2eei n ALA 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2eei s SER 68 N 1.66 3.55 0.39 0.00 0.15 -1.26 -4.04 113.70 114.15 2eei s SER 68 Ca 0.88 2.00 0.17 0.00 0.70 0.00 0.00 55.95 59.71 2eei s SER 68 Cb -0.94 -2.53 1.07 0.00 -1.71 0.00 0.00 66.02 61.92 2eei s SER 68 CO 0.52 -2.67 1.77 -0.74 1.20 0.00 0.00 173.24 173.31 2eei h HIS 69 N -1.57 0.70 -0.46 3.44 2.76 -1.91 0.21 115.15 118.31 2eei h HIS 69 Ca -0.44 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 57.67 2eei h HIS 69 Cb 1.25 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 30.00 2eei h HIS 69 CO 0.53 0.07 -0.03 1.05 -1.30 0.00 0.00 177.93 178.24 2eei h GLU 70 N 0.42 0.84 -0.70 5.26 4.11 -1.98 0.24 114.58 122.76 2eei h GLU 70 Ca 0.60 -0.28 -0.02 0.00 0.07 0.00 0.00 59.36 59.73 2eei h GLU 70 Cb 1.46 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.61 2eei h GLU 70 CO -0.31 0.90 0.36 0.93 0.07 0.00 0.00 179.01 180.96 2eei h GLU 71 N 0.68 1.00 0.07 1.06 4.39 -0.95 -2.65 114.58 118.19 2eei h GLU 71 Ca 0.13 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2eei h GLU 71 Cb 0.55 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2eei h GLU 71 CO 0.03 0.76 -0.04 0.28 -1.16 0.00 0.00 179.01 178.89 2eei h VAL 72 N 0.98 0.00 -1.09 3.13 2.07 -1.20 -2.67 116.25 117.47 2eei h VAL 72 Ca 0.25 -0.34 0.37 0.00 0.82 0.00 0.00 66.70 67.79 2eei h VAL 72 Cb 0.08 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.74 2eei h VAL 72 CO -0.04 0.00 0.71 0.55 0.02 0.00 0.00 177.57 178.81 2eei n VAL 73 N -3.22 -0.18 0.02 2.57 3.14 0.84 0.23 118.33 121.73 2eei n VAL 73 Ca -0.01 1.36 -0.19 0.00 -2.96 0.00 0.00 64.34 62.55 2eei n VAL 73 Cb 0.04 -2.24 -0.13 0.00 -1.06 0.00 0.00 33.84 30.45 2eei n VAL 73 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2eei h GLU 74 N 0.00 0.35 0.00 1.45 5.08 -1.56 -2.97 114.58 116.93 2eei h GLU 74 Ca 0.68 -0.46 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2eei h GLU 74 Cb 2.22 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 31.63 2eei h GLU 74 CO -0.33 1.16 -0.00 0.87 -1.00 0.00 0.00 179.01 179.71 2eei h LYS 75 N -0.25 0.00 0.15 2.33 1.57 0.32 -1.13 116.57 119.55 2eei h LYS 75 Ca -0.10 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2eei h LYS 75 Cb 1.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.77 2eei h LYS 75 CO 0.13 0.00 -0.07 0.28 -0.57 0.00 0.00 179.45 179.23 2eei h VAL 76 N 0.00 0.00 -0.96 0.50 2.07 -1.06 -1.19 116.25 115.62 2eei h VAL 76 Ca -0.00 -0.66 0.18 0.00 0.82 0.00 0.00 66.70 67.04 2eei h VAL 76 Cb 0.01 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.69 2eei h VAL 76 CO 0.00 0.00 0.61 0.07 0.02 0.00 0.00 177.57 178.27 2eei h LYS 77 N -0.85 0.63 -0.07 1.57 2.10 -1.41 0.17 116.57 118.70 2eei h LYS 77 Ca -0.02 -0.04 -0.21 0.00 -2.00 0.00 0.00 60.65 58.38 2eei h LYS 77 Cb 0.15 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 2eei h LYS 77 CO 0.03 0.42 -0.83 0.87 -2.00 0.00 0.00 179.45 177.94 2eei h LYS 78 N 0.65 0.53 -0.79 0.07 1.57 -1.32 -3.27 116.57 114.01 2eei h LYS 78 Ca 0.52 -0.47 0.26 0.00 -1.87 0.00 0.00 60.65 59.08 2eei h LYS 78 Cb 0.94 0.11 -0.15 0.00 0.08 0.00 0.00 32.23 33.22 2eei h LYS 78 CO -0.27 1.11 0.15 -1.13 -0.57 0.00 0.00 179.45 178.74 2eei n SER 79 N -3.84 0.03 0.00 0.86 3.41 0.05 -4.86 113.62 109.27 2eei n SER 79 Ca -0.06 1.33 0.00 0.00 -0.26 0.00 0.00 58.87 59.88 2eei n SER 79 Cb 0.77 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 2eei n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eei n GLY 80 N -1.33 1.37 0.31 5.00 0.00 -1.23 -4.78 105.19 104.52 2eei n GLY 80 Ca 0.22 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 2.26 -4.70 1.61 7.64 -1.26 -4.98 113.62 114.19 2eei n SER 81 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 2eei n SER 81 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 2eei n SER 81 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2eei s ARG 82 N -1.81 2.55 0.05 1.43 0.52 -1.26 -2.63 118.95 117.80 2eei s ARG 82 Ca 0.00 -0.98 -0.08 0.00 -0.52 0.00 0.00 55.73 54.14 2eei s ARG 82 Cb 0.00 -2.47 -0.00 0.00 0.52 0.00 0.00 34.95 33.00 2eei s ARG 82 CO 0.00 0.48 0.17 0.14 0.02 0.00 0.00 175.30 176.12 2eei s VAL 83 N -1.63 0.12 -0.25 3.52 -7.23 -0.66 -4.91 120.40 109.36 2eei s VAL 83 Ca 0.28 -1.02 0.01 0.00 -1.81 0.00 0.00 61.98 59.43 2eei s VAL 83 Cb -0.10 -1.03 0.04 0.00 0.56 0.00 0.00 36.38 35.85 2eei s VAL 83 CO 0.20 -0.56 -0.09 -0.32 -0.31 0.00 0.00 175.10 174.01 2eei s MET 84 N -2.94 2.56 -0.20 4.82 1.75 -1.26 -0.97 119.30 123.07 2eei s MET 84 Ca -0.02 -1.15 -0.05 0.00 -1.25 0.00 0.00 55.69 53.22 2eei s MET 84 Cb 0.01 -2.92 -0.02 0.00 2.84 0.00 0.00 34.83 34.74 2eei s MET 84 CO -0.06 -0.47 -0.01 -0.06 -0.65 0.00 0.00 175.02 173.77 2eei s PHE 85 N 1.22 3.03 -0.30 4.11 0.08 -0.11 -0.09 117.98 125.92 2eei s PHE 85 Ca -0.03 -0.51 -0.05 0.00 0.12 0.00 0.00 56.93 56.46 2eei s PHE 85 Cb -0.18 -2.08 0.02 0.00 -0.57 0.00 0.00 43.02 40.21 2eei s PHE 85 CO -0.05 -0.27 0.05 -1.17 -0.10 0.00 0.00 175.22 173.67 2eei s LEU 86 N 1.04 3.82 0.23 -0.37 2.96 -1.17 -0.36 118.68 124.82 2eei s LEU 86 Ca 0.02 -0.90 0.00 0.00 -0.22 0.00 0.00 54.13 53.03 2eei s LEU 86 Cb -0.14 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 2eei s LEU 86 CO 0.01 -0.22 0.11 -0.76 -1.32 0.00 0.00 176.35 174.18 2eei s LEU 87 N 1.41 1.42 0.28 -0.68 1.02 -1.25 -0.84 118.68 120.04 2eei s LEU 87 Ca 0.00 -1.39 0.10 0.00 0.02 0.00 0.00 54.13 52.87 2eei s LEU 87 Cb -0.18 0.18 -0.05 0.00 0.02 0.00 0.00 46.19 46.17 2eei s LEU 87 CO 0.01 -0.78 -0.08 -0.69 0.02 0.00 0.00 176.35 174.83 2eei s VAL 88 N -3.93 3.03 -0.08 -1.59 1.01 -1.26 -2.66 120.40 114.92 2eei s VAL 88 Ca 0.38 -2.10 -0.29 0.00 0.00 0.00 0.00 61.98 59.96 2eei s VAL 88 Cb 0.07 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 2eei s VAL 88 CO 0.13 -0.37 1.67 -1.81 0.00 0.00 0.00 175.10 174.72 2eei s ASP 89 N -3.62 6.58 0.65 3.32 1.11 -1.26 -4.40 116.67 119.05 2eei s ASP 89 Ca 0.31 2.13 0.18 0.00 0.18 0.00 0.00 52.55 55.36 2eei s ASP 89 Cb -0.05 -2.53 0.93 0.00 1.07 0.00 0.00 42.92 42.33 2eei s ASP 89 CO 0.18 -1.02 1.50 0.07 1.18 0.00 0.00 175.17 177.08 2eei h LYS 90 N 9.94 0.00 -0.05 8.23 -0.00 -1.81 0.53 116.57 133.42 2eei h LYS 90 Ca -0.39 0.00 -0.12 0.00 -0.00 0.00 0.00 60.65 60.15 2eei h LYS 90 Cb 1.18 0.00 0.01 0.00 -0.00 0.00 0.00 32.23 33.41 2eei h LYS 90 CO 0.96 0.00 -0.42 0.93 -0.00 0.00 0.00 179.45 180.92 2eei h GLU 91 N 0.00 0.37 -0.00 0.07 4.39 -1.91 -2.76 114.58 114.73 2eei h GLU 91 Ca 0.09 -0.33 -0.00 0.00 0.34 0.00 0.00 59.36 59.45 2eei h GLU 91 Cb 1.51 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.24 2eei h GLU 91 CO -0.00 0.99 -0.02 1.15 -1.16 0.00 0.00 179.01 179.97 2eei h THR 92 N -0.14 1.52 -0.08 1.13 2.02 -0.11 -2.95 112.91 114.30 2eei h THR 92 Ca -0.04 -1.55 0.04 0.00 0.77 0.00 0.00 66.41 65.63 2eei h THR 92 Cb 1.10 2.56 -0.06 0.00 -1.74 0.00 0.00 68.15 70.01 2eei h THR 92 CO 0.09 0.40 -0.36 -0.78 0.37 0.00 0.00 175.52 175.24 2eei h ASP 93 N -0.63 -1.11 -0.72 4.18 3.58 -1.37 -0.11 116.42 120.24 2eei h ASP 93 Ca -0.00 0.15 0.15 0.00 0.42 0.00 0.00 57.03 57.75 2eei h ASP 93 Cb 0.67 0.45 -0.04 0.00 1.72 0.00 0.00 39.33 42.13 2eei h ASP 93 CO 0.00 -0.40 0.49 0.50 -2.88 0.00 0.00 179.24 176.95 2eei h LYS 94 N -0.46 0.32 -1.26 0.28 3.64 -1.60 -3.43 116.57 114.07 2eei h LYS 94 Ca 0.08 -0.02 0.17 0.00 -1.27 0.00 0.00 60.65 59.60 2eei h LYS 94 Cb 0.59 -0.07 -0.31 0.00 -0.41 0.00 0.00 32.23 32.03 2eei h LYS 94 CO -0.34 0.21 0.61 -0.98 -2.27 0.00 0.00 179.45 176.68 2eei s ARG 95 N -5.33 0.19 -0.05 1.90 1.70 -0.08 -5.03 118.95 112.25 2eei s ARG 95 Ca -0.07 0.31 -0.03 0.00 -0.47 0.00 0.00 55.73 55.47 2eei s ARG 95 Cb 0.21 0.04 -0.12 0.00 -0.57 0.00 0.00 34.95 34.51 2eei s ARG 95 CO 0.76 -0.04 2.89 1.58 -1.08 0.00 0.00 175.30 179.41 2eei n HIS 96 N 3.20 0.19 -4.45 5.89 -0.00 -1.06 -3.95 115.22 115.04 2eei n HIS 96 Ca -0.17 -1.37 -0.22 0.00 0.46 0.00 0.00 57.72 56.42 2eei n HIS 96 Cb 0.57 -1.14 -0.10 0.00 -0.12 0.00 0.00 29.99 29.20 2eei n HIS 96 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 2eei s VAL 97 N 0.24 0.86 0.05 3.57 -7.23 -1.26 -5.11 120.40 111.52 2eei s VAL 97 Ca 0.40 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 2eei s VAL 97 Cb 0.20 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 2eei s VAL 97 CO -0.01 0.00 0.18 -0.70 -0.31 0.00 0.00 175.10 174.26 2eei s GLU 98 N -3.85 3.34 0.19 4.82 2.12 -1.26 -4.90 118.70 119.16 2eei s GLU 98 Ca 0.32 -0.47 -0.04 0.00 0.36 0.00 0.00 54.97 55.15 2eei s GLU 98 Cb 0.06 -2.99 -0.05 0.00 0.26 0.00 0.00 34.13 31.41 2eei s GLU 98 CO 0.15 0.61 0.41 -1.14 -0.54 0.00 0.00 175.26 174.75 2eei s GLN 99 N -2.40 3.60 -1.12 4.30 0.74 -1.26 -5.04 119.66 118.48 2eei s GLN 99 Ca 0.33 -0.14 -0.10 0.00 0.05 0.00 0.00 55.36 55.50 2eei s GLN 99 Cb -0.13 -2.81 0.27 0.00 1.10 0.00 0.00 33.01 31.44 2eei s GLN 99 CO 0.26 0.40 1.14 -1.59 -0.55 0.00 0.00 175.29 174.95 2eei s LYS 100 N -3.01 4.18 -0.73 1.67 -2.85 -1.26 -4.98 119.74 112.76 2eei s LYS 100 Ca 0.41 -3.14 -0.21 0.00 -1.00 0.00 0.00 55.97 52.03 2eei s LYS 100 Cb -0.12 -4.61 -0.17 0.00 -2.06 0.00 0.00 37.83 30.87 2eei s LYS 100 CO 0.27 -1.30 1.92 0.43 0.10 0.00 0.00 175.35 176.77 2eei n SER 101 N 3.05 0.04 -4.23 0.03 7.64 -1.26 -4.81 113.62 114.07 2eei n SER 101 Ca 0.25 0.06 -0.42 0.00 1.01 0.00 0.00 58.87 59.77 2eei n SER 101 Cb 0.40 -0.64 -0.05 0.00 -1.01 0.00 0.00 64.21 62.91 2eei n SER 101 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2eei s GLY 102 N 5.72 2.56 0.00 0.23 0.00 -1.26 -4.89 107.32 109.68 2eei s GLY 102 Ca 0.99 -3.24 0.11 0.00 0.00 0.00 0.00 44.72 42.58 2eei s GLY 102 CO 0.37 1.19 1.11 -1.55 0.00 0.00 0.00 173.10 174.21 2eei n PRO 103 N 3.85 0.49 -2.88 2.90 -0.04 -1.26 -4.81 135.00 133.24 2eei n PRO 103 Ca 0.10 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.47 2eei n PRO 103 Cb 0.43 -1.36 0.03 0.00 -0.04 0.00 0.00 33.50 32.56 2eei n PRO 103 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2eei n SER 104 N -0.86 -3.51 -4.17 3.54 2.88 -1.26 -5.05 113.62 105.18 2eei n SER 104 Ca 0.08 -0.21 -0.20 0.00 -1.33 0.00 0.00 58.87 57.22 2eei n SER 104 Cb 0.04 -2.22 -0.13 0.00 -0.75 0.00 0.00 64.21 61.16 2eei n SER 104 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2eei s SER 105 N -3.16 1.80 0.00 -3.46 1.04 -1.26 -5.35 113.70 103.32 2eei s SER 105 Ca 0.20 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2eei s SER 105 Cb -0.09 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.94 2eei s SER 105 CO 0.28 0.00 0.00 0.61 0.98 0.00 0.00 173.24 175.11