#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4z s GLY -19 N 0.00 2.15 -0.95 3.03 0.00 -1.26 -5.02 107.32 105.27 2k4z s GLY -19 Ca 0.00 -0.23 -0.15 0.00 0.00 0.00 0.00 44.72 44.34 2k4z s GLY -19 CO 0.00 -0.07 1.04 -0.45 0.00 0.00 0.00 173.10 173.62 2k4z s SER -18 N -2.64 6.81 -0.00 1.64 0.15 -1.26 -4.73 113.70 113.66 2k4z s SER -18 Ca 0.49 -2.56 0.21 0.00 0.70 0.00 0.00 55.95 54.79 2k4z s SER -18 Cb -0.11 -2.31 -0.23 0.00 -1.71 0.00 0.00 66.02 61.66 2k4z s SER -18 CO 0.24 -0.77 0.89 -1.20 1.20 0.00 0.00 173.24 173.60 2k4z n SER -17 N 5.11 0.98 -4.03 5.45 7.64 -1.26 -4.72 113.62 122.79 2k4z n SER -17 Ca 0.22 -0.98 -0.42 0.00 1.01 0.00 0.00 58.87 58.69 2k4z n SER -17 Cb 0.47 1.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.68 2k4z n SER -17 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2k4z n HIS -16 N -1.51 3.93 -3.56 1.43 8.25 -1.26 -4.79 115.22 117.71 2k4z n HIS -16 Ca 0.04 -2.93 -0.28 0.00 -0.26 0.00 0.00 57.72 54.29 2k4z n HIS -16 Cb 0.33 -2.58 -0.16 0.00 1.12 0.00 0.00 29.99 28.70 2k4z n HIS -16 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k4z s HIS -15 N 3.54 0.26 -0.38 4.41 4.02 -1.26 -5.09 115.29 120.79 2k4z s HIS -15 Ca 0.49 -0.66 0.02 0.00 1.02 0.00 0.00 55.06 55.93 2k4z s HIS -15 Cb 0.10 -0.82 0.11 0.00 -1.02 0.00 0.00 32.58 30.96 2k4z s HIS -15 CO -0.03 -0.72 0.14 -1.01 1.02 0.00 0.00 174.74 174.15 2k4z s HIS -14 N 2.12 2.51 0.05 1.40 0.09 -1.26 -4.92 115.29 115.28 2k4z s HIS -14 Ca 0.07 -2.44 -0.18 0.00 -0.00 0.00 0.00 55.06 52.50 2k4z s HIS -14 Cb -0.16 -2.22 -0.14 0.00 -0.00 0.00 0.00 32.58 30.06 2k4z s HIS -14 CO -0.27 -0.85 1.32 1.25 -0.00 0.00 0.00 174.74 176.19 2k4z h HIS -13 N 7.38 0.62 -3.58 1.40 6.17 -1.99 -3.36 115.15 121.78 2k4z h HIS -13 Ca -0.07 -0.21 -0.60 0.00 0.71 0.00 0.00 60.37 60.20 2k4z h HIS -13 Cb 0.98 -0.12 -0.10 0.00 2.52 0.00 0.00 27.41 30.69 2k4z h HIS -13 CO 0.44 0.92 0.58 -1.01 0.71 0.00 0.00 177.93 179.57 2k4z s HIS -12 N -4.09 3.00 0.39 5.26 3.76 -1.26 -4.93 115.29 117.42 2k4z s HIS -12 Ca -0.13 0.56 0.07 0.00 -0.15 0.00 0.00 55.06 55.40 2k4z s HIS -12 Cb 0.06 -3.80 0.81 0.00 1.11 0.00 0.00 32.58 30.76 2k4z s HIS -12 CO 0.79 -0.96 2.02 1.25 -0.85 0.00 0.00 174.74 177.00 2k4z h HIS -11 N 8.79 0.61 -3.32 1.40 2.76 -2.00 -3.37 115.15 120.02 2k4z h HIS -11 Ca -0.24 0.01 -0.66 0.00 -2.20 0.00 0.00 60.37 57.29 2k4z h HIS -11 Cb 1.08 -0.20 -0.27 0.00 1.55 0.00 0.00 27.41 29.56 2k4z h HIS -11 CO 0.85 0.36 -0.76 0.45 -1.30 0.00 0.00 177.93 177.54 2k4z s SER -10 N -6.51 4.05 0.02 3.26 0.15 -1.26 -5.02 113.70 108.38 2k4z s SER -10 Ca -0.09 -0.33 -0.02 0.00 0.70 0.00 0.00 55.95 56.21 2k4z s SER -10 Cb 0.18 -1.63 -0.01 0.00 -1.71 0.00 0.00 66.02 62.85 2k4z s SER -10 CO 0.75 0.14 0.02 -0.55 1.20 0.00 0.00 173.24 174.80 2k4z s SER -9 N 0.48 0.18 0.00 5.45 0.15 -1.26 -5.10 113.70 113.60 2k4z s SER -9 Ca -0.09 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.13 2k4z s SER -9 Cb -0.16 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 2k4z s SER -9 CO 0.04 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.76 2k4z n GLY -8 N 1.51 1.22 0.00 9.45 0.00 -1.26 -5.06 105.19 111.05 2k4z n GLY -8 Ca -0.23 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2k4z n GLY -8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k4z n LEU -7 N 0.00 1.38 -4.37 0.99 4.77 -1.26 -4.94 117.00 113.57 2k4z n LEU -7 Ca 0.00 0.31 -0.32 0.00 -0.03 0.00 0.00 56.01 55.97 2k4z n LEU -7 Cb 0.00 -0.22 -0.15 0.00 -2.33 0.00 0.00 43.42 40.72 2k4z n LEU -7 CO 0.00 -0.22 -0.53 0.68 -1.33 0.00 0.00 177.39 175.99 2k4z s VAL -6 N -0.69 2.42 0.09 4.08 -7.23 -1.26 -5.12 120.40 112.70 2k4z s VAL -6 Ca 0.00 -1.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.95 2k4z s VAL -6 Cb 0.00 -1.89 -0.07 0.00 0.56 0.00 0.00 36.38 34.98 2k4z s VAL -6 CO 0.00 0.57 0.68 -2.16 -0.31 0.00 0.00 175.10 173.88 2k4z s PRO -5 N -0.71 4.40 -0.02 4.82 0.05 -1.26 -4.98 135.00 137.31 2k4z s PRO -5 Ca 0.11 0.95 0.07 0.00 0.05 0.00 0.00 61.00 62.18 2k4z s PRO -5 Cb -0.10 -3.28 -0.24 0.00 0.05 0.00 0.00 34.50 30.93 2k4z s PRO -5 CO -0.00 0.52 0.77 0.00 0.05 0.00 0.00 177.00 178.34 2k4z h ARG -4 N 4.77 0.07 0.00 4.56 3.08 -2.05 -3.48 114.38 121.33 2k4z h ARG -4 Ca -0.47 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.46 2k4z h ARG -4 Cb 1.21 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2k4z h ARG -4 CO 0.66 0.76 0.00 0.41 -1.07 0.00 0.00 179.97 180.74 2k4z n GLY -3 N 1.59 3.41 3.59 0.04 0.00 -1.26 -4.69 105.19 107.87 2k4z n GLY -3 Ca -0.16 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 2k4z n GLY -3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k4z s SER -2 N -4.00 5.87 -0.34 1.61 0.01 -1.26 -4.79 113.70 110.79 2k4z s SER -2 Ca 0.00 1.05 0.07 0.00 1.31 0.00 0.00 55.95 58.38 2k4z s SER -2 Cb 0.00 -2.53 0.48 0.00 0.21 0.00 0.00 66.02 64.18 2k4z s SER -2 CO 0.00 -1.77 1.46 1.41 0.41 0.00 0.00 173.24 174.75 2k4z n HIS -1 N 10.44 1.80 -1.60 2.43 8.25 -1.26 -5.07 115.22 130.20 2k4z n HIS -1 Ca 0.21 -1.98 -0.51 0.00 -0.26 0.00 0.00 57.72 55.19 2k4z n HIS -1 Cb 0.48 -0.57 -0.06 0.00 1.12 0.00 0.00 29.99 30.96 2k4z n HIS -1 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 2k4z n MET 0 N -0.99 1.27 -3.77 -0.41 1.56 -1.26 -4.94 117.12 108.58 2k4z n MET 0 Ca 0.40 0.46 -0.30 0.00 -0.27 0.00 0.00 57.70 57.99 2k4z n MET 0 Cb 0.95 -2.10 -0.14 0.00 2.15 0.00 0.00 33.22 34.08 2k4z n MET 0 CO 0.00 0.00 0.00 1.41 -0.73 0.00 0.00 175.97 176.65 2k4z s MET 1 N 0.46 1.13 -0.49 2.12 0.00 -1.26 -4.92 119.30 116.33 2k4z s MET 1 Ca 0.83 -1.66 -0.28 0.00 0.00 0.00 0.00 55.69 54.57 2k4z s MET 1 Cb -0.91 -2.37 0.02 0.00 0.00 0.00 0.00 34.83 31.56 2k4z s MET 1 CO 0.46 -1.06 1.31 0.12 0.00 0.00 0.00 175.02 175.85 2k4z s PHE 2 N 0.88 2.50 -0.47 4.11 5.36 -1.26 -4.29 117.98 124.81 2k4z s PHE 2 Ca 0.14 0.59 -0.18 0.00 -0.96 0.00 0.00 56.93 56.52 2k4z s PHE 2 Cb -0.21 -4.40 0.05 0.00 -0.34 0.00 0.00 43.02 38.12 2k4z s PHE 2 CO -0.10 -1.74 0.51 0.15 -1.46 0.00 0.00 175.22 172.57 2k4z s LYS 3 N 4.97 3.08 -0.08 10.12 1.02 -0.99 -4.86 119.74 132.99 2k4z s LYS 3 Ca 0.53 -0.97 -0.22 0.00 0.02 0.00 0.00 55.97 55.33 2k4z s LYS 3 Cb -0.10 -4.07 -0.04 0.00 -0.52 0.00 0.00 37.83 33.10 2k4z s LYS 3 CO 0.29 -1.06 0.62 -0.51 -0.92 0.00 0.00 175.35 173.78 2k4z s LEU 4 N 2.22 4.30 0.56 3.17 1.02 -1.26 0.36 118.68 129.05 2k4z s LEU 4 Ca 0.11 1.06 -0.20 0.00 0.02 0.00 0.00 54.13 55.12 2k4z s LEU 4 Cb -0.20 -2.94 -0.05 0.00 0.02 0.00 0.00 46.19 43.02 2k4z s LEU 4 CO 0.11 -0.07 1.21 0.42 0.02 0.00 0.00 176.35 178.04 2k4z s THR 5 N 0.73 2.71 0.28 5.49 -4.23 -0.65 -4.77 115.64 115.20 2k4z s THR 5 Ca 0.33 0.47 0.03 0.00 -1.18 0.00 0.00 61.69 61.34 2k4z s THR 5 Cb -0.17 -3.20 0.27 0.00 1.34 0.00 0.00 72.50 70.74 2k4z s THR 5 CO 0.15 -0.07 1.72 -0.65 -0.54 0.00 0.00 174.62 175.23 2k4z h PRO 6 N 1.19 0.48 -0.38 3.99 0.11 -1.97 0.36 132.00 135.79 2k4z h PRO 6 Ca -0.50 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.47 2k4z h PRO 6 Cb 1.29 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2k4z h PRO 6 CO 0.56 0.32 -0.21 0.00 -0.21 0.00 0.00 178.00 178.46 2k4z h ALA 7 N 1.66 0.92 -0.15 -0.75 0.00 -1.98 -2.25 119.26 116.70 2k4z h ALA 7 Ca 0.53 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2k4z h ALA 7 Cb 0.93 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2k4z h ALA 7 CO -0.47 0.62 -0.14 0.00 0.00 0.00 0.00 179.25 179.27 2k4z h ALA 8 N 1.11 0.22 -0.91 0.00 0.00 -1.38 -2.65 119.26 115.66 2k4z h ALA 8 Ca 0.09 -0.32 0.12 0.00 0.00 0.00 0.00 54.91 54.81 2k4z h ALA 8 Cb 0.70 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 2k4z h ALA 8 CO 0.05 0.10 0.58 0.00 0.00 0.00 0.00 179.25 179.98 2k4z h ALA 9 N 0.62 1.69 -0.32 0.00 0.00 -0.94 -1.05 119.26 119.26 2k4z h ALA 9 Ca 0.03 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2k4z h ALA 9 Cb 0.66 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2k4z h ALA 9 CO 0.03 0.09 -0.18 0.93 0.00 0.00 0.00 179.25 180.12 2k4z h GLU 10 N 0.82 0.58 -0.27 0.00 5.08 -1.26 -0.35 114.58 119.19 2k4z h GLU 10 Ca 0.44 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.49 2k4z h GLU 10 Cb 0.55 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2k4z h GLU 10 CO -0.21 0.74 -0.30 0.37 -1.00 0.00 0.00 179.01 178.61 2k4z h GLN 11 N 0.53 0.55 -0.26 2.33 4.15 -0.86 0.41 115.11 121.95 2k4z h GLN 11 Ca 0.09 -0.23 -0.02 0.00 0.77 0.00 0.00 58.65 59.25 2k4z h GLN 11 Cb 0.61 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 2k4z h GLN 11 CO 0.04 0.79 0.07 0.28 -1.93 0.00 0.00 178.83 178.08 2k4z h VAL 12 N 0.47 1.21 -0.83 2.39 2.07 -0.99 -0.86 116.25 119.71 2k4z h VAL 12 Ca 0.06 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 66.94 2k4z h VAL 12 Cb 0.76 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 2k4z h VAL 12 CO 0.06 0.22 0.54 0.25 0.02 0.00 0.00 177.57 178.66 2k4z h LEU 13 N 0.26 0.90 -0.11 2.57 5.85 -0.68 -1.22 115.31 122.87 2k4z h LEU 13 Ca 0.08 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.81 2k4z h LEU 13 Cb 0.26 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2k4z h LEU 13 CO -0.00 0.63 -0.00 0.50 -0.34 0.00 0.00 178.44 179.22 2k4z h LYS 14 N 1.06 0.03 -0.63 1.25 3.64 0.06 0.66 116.57 122.63 2k4z h LYS 14 Ca 0.32 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.68 2k4z h LYS 14 Cb -0.02 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 2k4z h LYS 14 CO -0.10 0.02 0.32 0.00 -2.27 0.00 0.00 179.45 177.42 2k4z h ALA 15 N 1.10 0.82 0.00 5.00 0.00 -0.81 -1.65 119.26 123.72 2k4z h ALA 15 Ca 0.05 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2k4z h ALA 15 Cb 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2k4z h ALA 15 CO -0.09 0.36 -0.26 0.00 0.00 0.00 0.00 179.25 179.26 2k4z h ALA 16 N 1.15 1.08 0.00 0.00 0.00 -1.00 -2.41 119.26 118.09 2k4z h ALA 16 Ca 0.22 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2k4z h ALA 16 Cb 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2k4z h ALA 16 CO -0.03 0.32 -0.44 -0.22 0.00 0.00 0.00 179.25 178.88 2k4z h LYS 17 N 0.00 0.00 -0.30 0.00 3.64 -0.22 -3.20 116.57 116.49 2k4z h LYS 17 Ca -0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 2k4z h LYS 17 Cb 0.70 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 2k4z h LYS 17 CO 0.03 0.44 -0.13 1.96 -2.27 0.00 0.00 179.45 179.48 2k4z h GLN 18 N 0.00 0.51 0.00 1.90 4.20 -0.79 -3.49 115.11 117.44 2k4z h GLN 18 Ca -0.00 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2k4z h GLN 18 Cb 1.23 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.96 2k4z h GLN 18 CO 0.06 0.64 0.00 0.41 -0.67 0.00 0.00 178.83 179.26 2k4z n GLY 19 N -0.61 3.16 3.16 3.46 0.00 -1.21 -5.01 105.19 108.15 2k4z n GLY 19 Ca 0.01 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.04 2k4z n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4z n GLY 20 N -0.84 1.97 0.85 -0.02 0.00 -1.26 -4.44 105.19 101.45 2k4z n GLY 20 Ca 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 46.02 45.81 2k4z n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k4z n THR 21 N 0.00 0.81 -1.74 2.61 -2.24 -1.26 -4.89 114.28 107.57 2k4z n THR 21 Ca 0.00 -0.52 -0.43 0.00 -2.27 0.00 0.00 64.05 60.84 2k4z n THR 21 Cb 0.00 -0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.10 2k4z n THR 21 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2k4z s GLU 22 N -1.67 3.18 0.00 -0.78 2.12 -1.25 -1.96 118.70 118.35 2k4z s GLU 22 Ca 0.22 1.81 0.00 0.00 0.36 0.00 0.00 54.97 57.37 2k4z s GLU 22 Cb 0.15 -4.32 0.00 0.00 0.26 0.00 0.00 34.13 30.22 2k4z s GLU 22 CO 0.11 -2.04 0.00 0.41 -0.54 0.00 0.00 175.26 173.20 2k4z n GLY 23 N 5.65 0.47 3.87 -1.50 0.00 -1.26 -5.03 105.19 107.40 2k4z n GLY 23 Ca 0.27 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 2k4z n GLY 23 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2k4z s MET 24 N -0.84 3.83 0.14 1.61 -1.94 -0.83 -5.08 119.30 116.20 2k4z s MET 24 Ca 0.00 0.42 -0.03 0.00 -1.71 0.00 0.00 55.69 54.36 2k4z s MET 24 Cb 0.00 -2.50 -0.05 0.00 2.01 0.00 0.00 34.83 34.29 2k4z s MET 24 CO 0.00 0.14 0.36 0.00 -0.01 0.00 0.00 175.02 175.50 2k4z s LEU 26 N -2.74 4.55 -0.07 0.00 2.96 -1.17 -0.09 118.68 122.12 2k4z s LEU 26 Ca 0.40 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.95 2k4z s LEU 26 Cb -0.12 -2.47 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 2k4z s LEU 26 CO 0.26 -0.50 0.12 -0.60 -1.32 0.00 0.00 176.35 174.31 2k4z s ARG 27 N 2.25 3.32 0.08 1.98 3.52 0.21 -0.61 118.95 129.70 2k4z s ARG 27 Ca 0.15 -0.26 0.09 0.00 -0.13 0.00 0.00 55.73 55.58 2k4z s ARG 27 Cb -0.16 -3.06 -0.03 0.00 -1.56 0.00 0.00 34.95 30.13 2k4z s ARG 27 CO 0.13 0.73 -0.24 -0.51 -0.81 0.00 0.00 175.30 174.60 2k4z s LEU 28 N -1.31 2.38 0.03 -0.88 1.43 -1.14 -1.66 118.68 117.53 2k4z s LEU 28 Ca 0.19 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 2k4z s LEU 28 Cb -0.12 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 2k4z s LEU 28 CO 0.08 0.22 -0.07 0.00 0.23 0.00 0.00 176.35 176.82 2k4z s ALA 29 N -0.96 0.51 -0.15 4.21 0.00 -0.35 -4.66 121.76 120.36 2k4z s ALA 29 Ca 0.14 -0.67 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 2k4z s ALA 29 Cb -0.10 0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.09 2k4z s ALA 29 CO 0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 175.76 175.74 2k4z s ALA 30 N -1.20 1.42 -0.14 0.00 0.00 -1.26 0.07 121.76 120.65 2k4z s ALA 30 Ca -0.09 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.16 2k4z s ALA 30 Cb -0.09 -1.05 0.01 0.00 0.00 0.00 0.00 23.12 21.99 2k4z s ALA 30 CO 0.00 -0.67 -0.20 0.20 0.00 0.00 0.00 175.76 175.09 2k4z s GLY 31 N 1.66 1.30 -0.09 0.00 0.00 0.32 -4.94 107.32 105.57 2k4z s GLY 31 Ca 0.02 -1.03 -0.26 0.00 0.00 0.00 0.00 44.72 43.45 2k4z s GLY 31 CO -0.08 0.06 0.85 0.50 0.00 0.00 0.00 173.10 174.43 2k4z s ARG 32 N 0.89 4.42 0.35 2.90 0.52 -1.26 0.15 118.95 126.93 2k4z s ARG 32 Ca -0.06 1.12 -0.03 0.00 -0.52 0.00 0.00 55.73 56.24 2k4z s ARG 32 Cb -0.15 -3.50 -0.04 0.00 0.52 0.00 0.00 34.95 31.77 2k4z s ARG 32 CO -0.03 -0.14 0.61 -0.80 0.02 0.00 0.00 175.30 174.96 2k4z s ASN 33 N 1.00 6.36 0.63 0.23 0.01 -0.00 -4.96 114.94 118.21 2k4z s ASN 33 Ca 0.43 0.68 0.42 0.00 -0.71 0.00 0.00 52.86 53.68 2k4z s ASN 33 Cb -0.18 -2.13 2.25 0.00 0.41 0.00 0.00 41.25 41.60 2k4z s ASN 33 CO 0.19 -0.31 2.29 -0.65 -1.51 0.00 0.00 177.10 177.10 2k4z h PRO 34 N 1.05 0.00 0.00 -0.60 0.11 -1.97 -0.00 132.00 130.59 2k4z h PRO 34 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 2k4z h PRO 34 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2k4z h PRO 34 CO 0.63 0.00 -0.10 -0.44 -0.21 0.00 0.00 178.00 177.89 2k4z h ASP 35 N 0.00 0.00 0.00 -2.05 5.19 -2.03 -3.46 116.42 114.08 2k4z h ASP 35 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2k4z h ASP 35 Cb 0.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.56 2k4z h ASP 35 CO 0.00 0.10 0.00 0.61 -3.12 0.00 0.00 179.24 176.83 2k4z n GLY 36 N 0.00 1.57 3.69 2.75 0.00 -0.01 -5.06 105.19 108.13 2k4z n GLY 36 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2k4z n GLY 36 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k4z s SER 37 N -1.65 7.05 -0.29 1.61 1.04 -1.26 -4.77 113.70 115.43 2k4z s SER 37 Ca 0.00 1.88 -0.20 0.00 0.48 0.00 0.00 55.95 58.10 2k4z s SER 37 Cb 0.00 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.55 2k4z s SER 37 CO 0.00 -0.56 0.64 -0.63 0.98 0.00 0.00 173.24 173.67 2k4z s ILE 38 N 1.93 4.94 -0.39 -1.02 1.01 -1.26 -0.82 121.20 125.59 2k4z s ILE 38 Ca 0.57 0.95 -0.21 0.00 0.00 0.00 0.00 60.65 61.96 2k4z s ILE 38 Cb -0.26 -3.99 0.01 0.00 0.01 0.00 0.00 42.46 38.23 2k4z s ILE 38 CO 0.24 -0.10 0.68 -0.62 0.00 0.00 0.00 174.94 175.14 2k4z s ASP 39 N 1.59 6.42 -0.37 3.58 2.15 0.12 -4.90 116.67 125.27 2k4z s ASP 39 Ca 0.26 0.03 -0.14 0.00 0.43 0.00 0.00 52.55 53.13 2k4z s ASP 39 Cb -0.15 -2.34 -0.00 0.00 -0.30 0.00 0.00 42.92 40.12 2k4z s ASP 39 CO 0.11 -0.70 0.26 -0.31 -0.17 0.00 0.00 175.17 174.36 2k4z s TYR 40 N 2.88 3.23 -0.16 -5.34 2.02 -1.26 -0.52 117.35 118.20 2k4z s TYR 40 Ca 0.26 -0.37 -0.08 0.00 -0.37 0.00 0.00 57.07 56.51 2k4z s TYR 40 Cb -0.14 -2.52 -0.04 0.00 -0.40 0.00 0.00 41.96 38.86 2k4z s TYR 40 CO 0.17 -0.46 0.11 1.03 -1.57 0.00 0.00 175.55 174.83 2k4z s ARG 41 N 1.70 3.75 -0.07 -0.62 1.81 0.11 -4.95 118.95 120.69 2k4z s ARG 41 Ca 0.06 -0.23 0.02 0.00 -1.72 0.00 0.00 55.73 53.85 2k4z s ARG 41 Cb -0.18 -3.23 -0.03 0.00 -0.45 0.00 0.00 34.95 31.06 2k4z s ARG 41 CO 0.10 0.51 -0.10 -1.64 -0.68 0.00 0.00 175.30 173.49 2k4z s MET 42 N -0.27 2.70 -0.28 3.54 -1.94 -1.26 -1.21 119.30 120.58 2k4z s MET 42 Ca 0.10 -0.60 -0.21 0.00 -1.71 0.00 0.00 55.69 53.27 2k4z s MET 42 Cb -0.12 -2.52 0.10 0.00 2.01 0.00 0.00 34.83 34.30 2k4z s MET 42 CO 0.01 0.63 0.86 0.20 -0.01 0.00 0.00 175.02 176.70 2k4z s GLY 43 N -0.72 -0.34 -0.13 -0.03 0.00 -0.67 -5.02 107.32 100.41 2k4z s GLY 43 Ca 0.11 2.54 -0.29 0.00 0.00 0.00 0.00 44.72 47.08 2k4z s GLY 43 CO 0.01 2.11 1.18 -1.36 0.00 0.00 0.00 173.10 175.04 2k4z s PHE 44 N 0.84 3.11 0.00 1.90 0.08 -1.26 -0.62 117.98 122.03 2k4z s PHE 44 Ca -0.03 1.21 0.00 0.00 0.12 0.00 0.00 56.93 58.23 2k4z s PHE 44 Cb -0.05 -3.41 0.00 0.00 -0.57 0.00 0.00 43.02 38.99 2k4z s PHE 44 CO -0.09 -1.24 0.00 -3.47 -0.10 0.00 0.00 175.22 170.32 2k4z n ASP 45 N 5.87 0.00 -2.23 1.36 -0.08 0.88 -4.93 116.55 117.43 2k4z n ASP 45 Ca 0.12 -0.42 -0.03 0.00 -1.51 0.00 0.00 54.79 52.95 2k4z n ASP 45 Cb 0.46 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.94 2k4z n ASP 45 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2k4z n ASP 46 N -1.03 0.03 -3.74 1.67 2.03 -1.26 -2.36 116.55 111.88 2k4z n ASP 46 Ca 0.00 -1.06 -0.28 0.00 0.52 0.00 0.00 54.79 53.97 2k4z n ASP 46 Cb 0.00 -0.11 -0.16 0.00 -0.72 0.00 0.00 41.12 40.13 2k4z n ASP 46 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2k4z s LEU 47 N 0.00 1.38 0.11 -2.67 0.20 -1.26 -4.71 118.68 111.74 2k4z s LEU 47 Ca 0.09 -0.95 -0.08 0.00 0.69 0.00 0.00 54.13 53.87 2k4z s LEU 47 Cb -0.00 -0.66 -0.06 0.00 -0.43 0.00 0.00 46.19 45.04 2k4z s LEU 47 CO 0.06 -0.32 0.40 0.42 -0.29 0.00 0.00 176.35 176.62 2k4z s THR 48 N 1.80 5.12 -1.66 3.68 -4.23 -1.26 -4.98 115.64 114.11 2k4z s THR 48 Ca 0.00 0.28 0.17 0.00 -1.18 0.00 0.00 61.69 60.96 2k4z s THR 48 Cb -0.17 -3.63 0.37 0.00 1.34 0.00 0.00 72.50 70.41 2k4z s THR 48 CO -0.11 0.16 1.47 -0.62 -0.54 0.00 0.00 174.62 174.99 2k4z n GLU 49 N 0.50 0.36 0.04 3.99 1.02 -1.26 -2.52 120.64 122.78 2k4z n GLU 49 Ca -0.05 0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 57.05 2k4z n GLU 49 Cb 0.52 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.31 2k4z n GLU 49 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2k4z h ASP 50 N 0.00 0.18 -4.09 1.62 3.32 -1.99 -3.47 116.42 111.99 2k4z h ASP 50 Ca 0.00 -0.25 -0.49 0.00 0.02 0.00 0.00 57.03 56.31 2k4z h ASP 50 Cb 0.09 -0.06 0.05 0.00 0.22 0.00 0.00 39.33 39.64 2k4z h ASP 50 CO 0.00 1.21 0.41 -1.81 -1.72 0.00 0.00 179.24 177.32 2k4z s ASP 51 N -6.69 5.98 -0.41 6.45 1.11 -1.05 -4.52 116.67 117.54 2k4z s ASP 51 Ca -0.05 2.05 -0.28 0.00 0.18 0.00 0.00 52.55 54.45 2k4z s ASP 51 Cb 0.08 -2.57 0.02 0.00 1.07 0.00 0.00 42.92 41.53 2k4z s ASP 51 CO 0.84 -1.03 1.06 -0.63 1.18 0.00 0.00 175.17 176.58 2k4z s ILE 52 N -1.91 4.39 -0.57 0.77 1.01 0.60 -4.77 121.20 120.72 2k4z s ILE 52 Ca 0.70 1.30 -0.22 0.00 0.00 0.00 0.00 60.65 62.43 2k4z s ILE 52 Cb -0.20 -4.48 0.06 0.00 0.01 0.00 0.00 42.46 37.84 2k4z s ILE 52 CO 0.25 -0.76 0.83 -0.60 0.00 0.00 0.00 174.94 174.66 2k4z s ARG 53 N 3.98 3.18 -0.26 2.79 3.52 -1.26 -1.70 118.95 129.20 2k4z s ARG 53 Ca 0.44 -0.70 -0.09 0.00 -0.13 0.00 0.00 55.73 55.25 2k4z s ARG 53 Cb -0.10 -4.13 -0.04 0.00 -1.56 0.00 0.00 34.95 29.12 2k4z s ARG 53 CO 0.24 -1.50 0.13 -1.17 -0.81 0.00 0.00 175.30 172.20 2k4z s LEU 54 N 3.46 3.77 -0.23 -0.88 0.20 0.16 -4.91 118.68 120.26 2k4z s LEU 54 Ca 0.22 -0.09 -0.17 0.00 0.69 0.00 0.00 54.13 54.79 2k4z s LEU 54 Cb -0.17 -2.03 -0.03 0.00 -0.43 0.00 0.00 46.19 43.53 2k4z s LEU 54 CO 0.13 -0.03 0.44 -0.89 -0.29 0.00 0.00 176.35 175.71 2k4z s THR 55 N 1.62 5.15 0.00 3.68 2.01 -1.26 0.08 115.64 126.92 2k4z s THR 55 Ca 0.07 0.76 0.00 0.00 0.31 0.00 0.00 61.69 62.83 2k4z s THR 55 Cb -0.15 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.59 2k4z s THR 55 CO 0.07 0.19 0.00 -0.24 -0.69 0.00 0.00 174.62 173.95 2k4z n SER 56 N 4.91 0.24 -3.46 3.53 2.88 0.95 -4.96 113.62 117.71 2k4z n SER 56 Ca -0.07 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.07 2k4z n SER 56 Cb 0.51 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.95 2k4z n SER 56 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k4z n GLU 57 N 0.00 3.52 0.00 -1.46 1.02 -1.26 -4.09 120.64 118.37 2k4z n GLU 57 Ca 0.00 -2.44 0.00 0.00 -0.02 0.00 0.00 57.16 54.70 2k4z n GLU 57 Cb 0.00 -2.93 0.00 0.00 -0.02 0.00 0.00 31.44 28.49 2k4z n GLU 57 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k4z n GLY 58 N 3.58 0.56 3.56 0.62 0.00 -1.26 -4.95 105.19 107.29 2k4z n GLY 58 Ca 0.69 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.37 2k4z n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k4z s VAL 59 N -1.11 3.62 -0.10 1.61 1.01 -1.26 -5.06 120.40 119.12 2k4z s VAL 59 Ca 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 2k4z s VAL 59 Cb 0.00 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2k4z s VAL 59 CO 0.00 0.59 -0.00 -1.83 0.00 0.00 0.00 175.10 173.86 2k4z s GLU 60 N -0.69 3.12 -0.14 2.72 -1.05 -1.26 -0.04 118.70 121.35 2k4z s GLU 60 Ca 0.10 -0.42 -0.00 0.00 -0.15 0.00 0.00 54.97 54.50 2k4z s GLU 60 Cb -0.11 -2.82 -0.01 0.00 -0.44 0.00 0.00 34.13 30.74 2k4z s GLU 60 CO 0.02 0.62 -0.13 0.42 0.95 0.00 0.00 175.26 177.13 2k4z s ILE 61 N -0.65 2.93 -0.21 1.83 -1.09 0.11 -3.04 121.20 121.08 2k4z s ILE 61 Ca 0.10 -0.69 -0.04 0.00 -2.23 0.00 0.00 60.65 57.79 2k4z s ILE 61 Cb -0.12 -2.24 -0.01 0.00 -1.58 0.00 0.00 42.46 38.52 2k4z s ILE 61 CO 0.02 0.51 -0.04 0.68 -1.23 0.00 0.00 174.94 174.88 2k4z s VAL 62 N 0.59 3.42 -0.08 2.92 -7.23 0.22 0.39 120.40 120.63 2k4z s VAL 62 Ca -0.08 -0.48 -0.01 0.00 -1.81 0.00 0.00 61.98 59.60 2k4z s VAL 62 Cb -0.16 -2.55 0.03 0.00 0.56 0.00 0.00 36.38 34.26 2k4z s VAL 62 CO 0.03 0.43 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.60 2k4z s ILE 63 N 1.35 0.56 0.33 -0.62 1.01 -0.69 -2.89 121.20 120.25 2k4z s ILE 63 Ca 0.04 -0.02 -0.29 0.00 0.00 0.00 0.00 60.65 60.38 2k4z s ILE 63 Cb -0.14 -0.66 -0.11 0.00 0.01 0.00 0.00 42.46 41.56 2k4z s ILE 63 CO -0.02 0.28 1.56 0.00 0.00 0.00 0.00 174.94 176.75 2k4z s ALA 64 N 1.69 3.68 0.53 9.38 0.00 -1.26 -0.29 121.76 135.49 2k4z s ALA 64 Ca 0.02 1.58 0.34 0.00 0.00 0.00 0.00 51.96 53.90 2k4z s ALA 64 Cb -0.13 -3.64 1.51 0.00 0.00 0.00 0.00 23.12 20.86 2k4z s ALA 64 CO -0.05 -1.03 1.83 -1.35 0.00 0.00 0.00 175.76 175.17 2k4z h PRO 65 N 4.07 0.02 -0.28 0.00 0.11 -1.95 0.53 132.00 134.50 2k4z h PRO 65 Ca -0.49 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.65 2k4z h PRO 65 Cb 1.23 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 2k4z h PRO 65 CO 0.73 0.01 0.12 0.22 -0.21 0.00 0.00 178.00 178.87 2k4z h ASP 66 N 0.02 0.15 1.80 -2.05 1.82 -1.97 -2.91 116.42 113.27 2k4z h ASP 66 Ca 0.52 0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 57.16 2k4z h ASP 66 Cb 2.03 -0.00 -0.00 0.00 0.68 0.00 0.00 39.33 42.03 2k4z h ASP 66 CO -0.02 0.12 -0.21 1.88 -1.61 0.00 0.00 179.24 179.41 2k4z h TYR 67 N 0.25 0.00 -0.04 0.28 0.05 -1.27 -3.08 116.97 113.16 2k4z h TYR 67 Ca 0.12 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.91 2k4z h TYR 67 Cb 0.07 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.81 2k4z h TYR 67 CO -0.11 0.09 0.05 0.28 -1.05 0.00 0.00 178.16 177.41 2k4z h VAL 68 N 0.00 0.56 -0.02 -2.88 2.07 -1.23 -0.15 116.25 114.60 2k4z h VAL 68 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2k4z h VAL 68 Cb 1.07 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2k4z h VAL 68 CO 0.01 0.00 0.02 0.28 0.02 0.00 0.00 177.57 177.90 2k4z h SER 69 N 0.00 0.00 -0.01 0.57 0.02 -1.57 -2.21 113.55 110.36 2k4z h SER 69 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2k4z h SER 69 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2k4z h SER 69 CO -0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 2k4z n LEU 70 N -3.69 1.59 -3.40 5.07 4.77 -0.12 -4.86 117.00 116.35 2k4z n LEU 70 Ca -0.03 -1.55 -0.25 0.00 -0.03 0.00 0.00 56.01 54.16 2k4z n LEU 70 Cb 0.11 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.09 2k4z n LEU 70 CO 0.26 0.39 -0.27 -0.22 -1.33 0.00 0.00 177.39 176.23 2k4z s LEU 71 N -0.57 0.74 -0.01 2.23 0.20 -0.83 -4.98 118.68 115.47 2k4z s LEU 71 Ca 0.01 -2.24 -0.01 0.00 0.69 0.00 0.00 54.13 52.58 2k4z s LEU 71 Cb 0.00 -0.10 0.00 0.00 -0.43 0.00 0.00 46.19 45.67 2k4z s LEU 71 CO 0.01 -0.26 0.03 -0.62 -0.29 0.00 0.00 176.35 175.22 2k4z s ASP 72 N 0.91 -0.02 -1.74 3.68 2.15 -1.25 -4.59 116.67 115.81 2k4z s ASP 72 Ca 0.22 0.04 0.00 0.00 0.43 0.00 0.00 52.55 53.24 2k4z s ASP 72 Cb -0.14 0.06 0.00 0.00 -0.30 0.00 0.00 42.92 42.53 2k4z s ASP 72 CO -0.05 -0.02 0.00 0.00 -0.17 0.00 0.00 175.17 174.94 2k4z n GLN 73 N 3.03 -1.68 -3.19 4.34 1.13 -1.26 -4.95 117.38 114.81 2k4z n GLN 73 Ca -0.12 0.98 -0.38 0.00 -1.94 0.00 0.00 57.00 55.54 2k4z n GLN 73 Cb 0.60 -5.53 -0.06 0.00 0.11 0.00 0.00 30.24 25.36 2k4z n GLN 73 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2k4z s THR 74 N -2.82 4.64 -0.02 5.09 2.01 -1.26 -4.73 115.64 118.56 2k4z s THR 74 Ca 0.00 1.26 -0.02 0.00 0.31 0.00 0.00 61.69 63.24 2k4z s THR 74 Cb 0.00 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 2k4z s THR 74 CO 0.00 0.40 0.11 -0.89 -0.69 0.00 0.00 174.62 173.55 2k4z s THR 75 N -1.29 4.96 -0.15 -0.82 2.01 -0.10 -2.35 115.64 117.90 2k4z s THR 75 Ca 0.35 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 62.09 2k4z s THR 75 Cb -0.19 -3.26 0.01 0.00 0.01 0.00 0.00 72.50 69.07 2k4z s THR 75 CO 0.21 0.38 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.09 2k4z s LEU 76 N -1.69 2.07 0.01 4.42 2.96 0.16 0.05 118.68 126.66 2k4z s LEU 76 Ca 0.23 -0.60 -0.03 0.00 -0.22 0.00 0.00 54.13 53.51 2k4z s LEU 76 Cb -0.12 -1.42 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 2k4z s LEU 76 CO 0.14 0.05 0.03 -0.62 -1.32 0.00 0.00 176.35 174.63 2k4z s ASP 77 N 0.97 0.15 -0.16 3.68 2.15 -1.03 -1.64 116.67 120.79 2k4z s ASP 77 Ca -0.04 -0.38 -0.10 0.00 0.43 0.00 0.00 52.55 52.47 2k4z s ASP 77 Cb -0.15 0.14 -0.05 0.00 -0.30 0.00 0.00 42.92 42.56 2k4z s ASP 77 CO -0.05 -0.32 0.17 -0.72 -0.17 0.00 0.00 175.17 174.09 2k4z s TYR 78 N -1.40 3.48 -0.02 -5.34 1.13 -1.26 0.16 117.35 114.10 2k4z s TYR 78 Ca -0.15 0.46 -0.02 0.00 -1.41 0.00 0.00 57.07 55.95 2k4z s TYR 78 Cb -0.09 -2.14 0.00 0.00 -1.10 0.00 0.00 41.96 38.63 2k4z s TYR 78 CO -0.00 0.41 0.05 0.14 -2.51 0.00 0.00 175.55 173.65 2k4z s VAL 79 N -0.05 0.01 -1.07 -3.49 -7.23 0.61 -4.94 120.40 104.24 2k4z s VAL 79 Ca 0.12 -0.10 -0.22 0.00 -1.81 0.00 0.00 61.98 59.97 2k4z s VAL 79 Cb -0.12 -0.12 0.04 0.00 0.56 0.00 0.00 36.38 36.74 2k4z s VAL 79 CO 0.01 -0.06 1.57 -0.70 -0.31 0.00 0.00 175.10 175.62 2k4z s GLU 80 N -0.15 3.54 0.13 4.82 2.12 -1.26 -1.51 118.70 126.39 2k4z s GLU 80 Ca -0.02 -1.21 -0.04 0.00 0.36 0.00 0.00 54.97 54.06 2k4z s GLU 80 Cb -0.01 -5.36 -0.10 0.00 0.26 0.00 0.00 34.13 28.92 2k4z s GLU 80 CO 0.00 -2.38 1.30 -0.07 -0.54 0.00 0.00 175.26 173.57 2k4z h LEU 81 N 13.39 0.52 -8.61 2.70 3.38 -1.87 -3.44 115.31 121.39 2k4z h LEU 81 Ca 0.24 -0.42 -0.66 0.00 0.09 0.00 0.00 57.88 57.12 2k4z h LEU 81 Cb 0.98 -0.16 -0.27 0.00 0.09 0.00 0.00 40.66 41.30 2k4z h LEU 81 CO 1.41 1.22 -0.78 -1.61 0.09 0.00 0.00 178.44 178.77 2k4z s GLU 82 N -3.25 3.26 -0.29 1.13 2.02 -1.25 -5.06 118.70 115.25 2k4z s GLU 82 Ca -0.06 -0.71 -0.35 0.00 0.02 0.00 0.00 54.97 53.88 2k4z s GLU 82 Cb 0.09 -2.57 -0.11 0.00 0.10 0.00 0.00 34.13 31.64 2k4z s GLU 82 CO 0.87 0.25 2.12 -2.30 0.02 0.00 0.00 175.26 176.22 2k4z n PRO 83 N 3.40 1.34 -0.22 0.39 -0.02 -1.26 0.03 135.00 138.66 2k4z n PRO 83 Ca -0.18 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2k4z n PRO 83 Cb 0.53 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2k4z n PRO 83 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k4z n GLY 84 N 5.98 0.61 2.96 -1.23 0.00 -1.26 -5.03 105.19 107.22 2k4z n GLY 84 Ca 0.36 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.07 2k4z n GLY 84 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k4z s GLN 85 N -0.78 1.53 -0.88 1.61 2.00 0.10 -5.06 119.66 118.19 2k4z s GLN 85 Ca 0.00 -1.40 -0.24 0.00 -2.00 0.00 0.00 55.36 51.73 2k4z s GLN 85 Cb 0.00 -2.77 0.06 0.00 0.80 0.00 0.00 33.01 31.09 2k4z s GLN 85 CO 0.00 -0.78 1.30 -0.06 -0.50 0.00 0.00 175.29 175.25 2k4z s PHE 86 N 1.20 2.54 -0.14 1.67 0.08 -1.26 -3.76 117.98 118.31 2k4z s PHE 86 Ca 0.02 -0.63 -0.08 0.00 0.12 0.00 0.00 56.93 56.37 2k4z s PHE 86 Cb -0.19 -4.58 -0.04 0.00 -0.57 0.00 0.00 43.02 37.64 2k4z s PHE 86 CO -0.10 -1.89 0.12 -1.58 -0.10 0.00 0.00 175.22 171.68 2k4z s HIS 87 N 4.81 3.50 0.12 0.36 5.65 -0.57 -4.82 115.29 124.35 2k4z s HIS 87 Ca 0.38 0.43 -0.29 0.00 0.25 0.00 0.00 55.06 55.83 2k4z s HIS 87 Cb -0.05 -2.00 -0.06 0.00 -1.18 0.00 0.00 32.58 29.29 2k4z s HIS 87 CO 0.00 0.57 0.93 -0.06 -0.65 0.00 0.00 174.74 175.53 2k4z s PHE 88 N -0.56 3.83 -0.00 3.88 0.40 -1.26 -0.29 117.98 123.98 2k4z s PHE 88 Ca 0.12 1.77 0.04 0.00 -0.60 0.00 0.00 56.93 58.27 2k4z s PHE 88 Cb -0.12 -3.01 -0.03 0.00 0.51 0.00 0.00 43.02 40.37 2k4z s PHE 88 CO 0.02 0.25 -0.12 0.96 0.70 0.00 0.00 175.22 177.03 2k4z s ILE 89 N -0.18 3.22 -0.74 0.64 -4.36 0.12 -4.93 121.20 114.98 2k4z s ILE 89 Ca 0.45 -0.87 -0.19 0.00 -0.26 0.00 0.00 60.65 59.77 2k4z s ILE 89 Cb -0.23 -2.35 0.11 0.00 1.25 0.00 0.00 42.46 41.24 2k4z s ILE 89 CO 0.29 0.44 0.92 -0.36 0.24 0.00 0.00 174.94 176.48 2k4z s PHE 90 N -0.89 3.01 -0.86 1.37 0.40 -1.26 -2.46 117.98 117.28 2k4z s PHE 90 Ca 0.15 -1.07 -0.25 0.00 -0.60 0.00 0.00 56.93 55.16 2k4z s PHE 90 Cb -0.11 -4.17 0.03 0.00 0.51 0.00 0.00 43.02 39.28 2k4z s PHE 90 CO 0.05 -1.44 1.46 -0.51 0.70 0.00 0.00 175.22 175.48 2k4z s LEU 91 N 2.88 3.32 -0.29 -0.37 1.43 0.11 -4.87 118.68 120.89 2k4z s LEU 91 Ca 0.22 -0.83 -0.00 0.00 -1.03 0.00 0.00 54.13 52.48 2k4z s LEU 91 Cb -0.15 -2.56 0.05 0.00 0.03 0.00 0.00 46.19 43.56 2k4z s LEU 91 CO 0.01 -1.82 -0.04 0.21 0.23 0.00 0.00 176.35 174.94 2k4z s ASN 92 N 5.01 4.74 0.63 2.29 2.47 -1.26 -0.93 114.94 127.88 2k4z s ASN 92 Ca 0.45 -1.30 0.37 0.00 0.42 0.00 0.00 52.86 52.81 2k4z s ASN 92 Cb -0.05 -1.66 2.11 0.00 -1.45 0.00 0.00 41.25 40.20 2k4z s ASN 92 CO 0.03 -0.23 2.31 1.55 -3.72 0.00 0.00 177.10 177.04 2k4z h PRO 93 N 7.93 0.00 0.00 0.43 0.13 -1.92 -0.56 132.00 138.00 2k4z h PRO 93 Ca -0.21 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.80 2k4z h PRO 93 Cb 1.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 2k4z h PRO 93 CO 0.51 0.00 -0.60 0.07 -0.23 0.00 0.00 178.00 177.75 2k4z h ARG 94 N 0.00 0.00 -5.96 0.86 0.11 -1.95 -3.46 114.38 103.99 2k4z h ARG 94 Ca -0.00 0.00 -0.61 0.00 0.10 0.00 0.00 59.98 59.47 2k4z h ARG 94 Cb 0.01 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.05 2k4z h ARG 94 CO 0.00 0.60 -0.43 -0.51 0.10 0.00 0.00 179.97 179.73 2k4z s ASP 95 N -6.52 6.42 -0.94 0.08 1.01 -0.22 -5.03 116.67 111.48 2k4z s ASP 95 Ca 0.03 0.42 -0.24 0.00 0.71 0.00 0.00 52.55 53.46 2k4z s ASP 95 Cb 0.09 -2.02 0.04 0.00 1.01 0.00 0.00 42.92 42.03 2k4z s ASP 95 CO 0.75 0.17 1.44 -2.84 0.21 0.00 0.00 175.17 174.90 2k4z s PRO 96 N -2.32 3.42 -0.17 8.23 0.02 -1.26 -4.73 135.00 138.20 2k4z s PRO 96 Ca 0.34 -0.83 0.01 0.00 0.02 0.00 0.00 61.00 60.54 2k4z s PRO 96 Cb -0.13 -5.04 -0.23 0.00 0.02 0.00 0.00 34.50 29.13 2k4z s PRO 96 CO 0.23 -2.26 0.17 2.41 -0.33 0.00 0.00 177.00 177.23 2k4z n THR 97 N 6.82 1.62 -3.97 0.99 -1.04 -1.26 -4.85 114.28 112.59 2k4z n THR 97 Ca 0.26 -0.67 -0.30 0.00 -2.04 0.00 0.00 64.05 61.30 2k4z n THR 97 Cb 0.50 -1.40 -0.16 0.00 -1.82 0.00 0.00 70.33 67.45 2k4z n THR 97 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2k4z s TYR 98 N -2.54 2.11 -0.28 -1.42 2.02 -1.26 -5.11 117.35 110.87 2k4z s TYR 98 Ca -0.23 -1.31 -0.04 0.00 -0.37 0.00 0.00 57.07 55.12 2k4z s TYR 98 Cb 0.08 -1.52 0.03 0.00 -0.40 0.00 0.00 41.96 40.14 2k4z s TYR 98 CO 0.73 -0.68 0.01 0.50 -1.57 0.00 0.00 175.55 174.53 2k4z s ARG 99 N 1.50 2.82 0.57 -0.62 3.52 -1.26 -5.10 118.95 120.37 2k4z s ARG 99 Ca 0.01 -1.01 -0.19 0.00 -0.13 0.00 0.00 55.73 54.41 2k4z s ARG 99 Cb -0.15 -3.17 -0.05 0.00 -1.56 0.00 0.00 34.95 30.02 2k4z s ARG 99 CO -0.09 -0.47 1.17 -2.14 -0.81 0.00 0.00 175.30 172.96 2k4z s PRO 100 N 1.37 3.17 0.44 5.12 0.02 -1.26 -4.93 135.00 138.92 2k4z s PRO 100 Ca -0.00 1.74 0.13 0.00 0.02 0.00 0.00 61.00 62.88 2k4z s PRO 100 Cb -0.18 -1.98 1.01 0.00 0.02 0.00 0.00 34.50 33.38 2k4z s PRO 100 CO -0.01 -1.03 2.01 -1.35 -0.33 0.00 0.00 177.00 176.29 2k4z h PRO 101 N 1.07 0.40 -4.75 5.54 0.11 -1.99 -3.36 132.00 129.02 2k4z h PRO 101 Ca -0.50 -0.02 -0.69 0.00 0.11 0.00 0.00 66.00 64.90 2k4z h PRO 101 Cb 1.28 -0.09 -0.30 0.00 0.11 0.00 0.00 31.00 32.00 2k4z h PRO 101 CO 0.56 0.26 -0.66 0.45 -0.21 0.00 0.00 178.00 178.41 2k4z s SER 102 N -6.39 5.03 0.00 -2.05 0.15 -1.26 -4.60 113.70 104.59 2k4z s SER 102 Ca -0.08 -1.11 0.00 0.00 0.70 0.00 0.00 55.95 55.46 2k4z s SER 102 Cb 0.19 -1.79 0.00 0.00 -1.71 0.00 0.00 66.02 62.71 2k4z s SER 102 CO 0.74 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.53 2k4z n GLY 103 N 4.73 0.78 0.00 9.45 0.00 -1.26 -5.18 105.19 113.71 2k4z n GLY 103 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2k4z n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93