#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4z h GLY -19 N 0.00 1.19 -7.40 3.03 0.00 -2.07 -3.38 103.07 94.44 2k4z h GLY -19 Ca 0.00 -0.72 -0.59 0.00 0.00 0.00 0.00 47.33 46.02 2k4z h GLY -19 CO 0.00 0.67 -0.76 -1.35 0.00 0.00 0.00 176.54 175.10 2k4z s SER -18 N -6.46 3.85 0.39 0.19 1.04 -1.26 -4.97 113.70 106.48 2k4z s SER -18 Ca -0.12 -1.39 0.16 0.00 0.48 0.00 0.00 55.95 55.08 2k4z s SER -18 Cb 0.15 -1.01 0.82 0.00 0.10 0.00 0.00 66.02 66.08 2k4z s SER -18 CO 0.84 -0.33 1.84 0.77 0.98 0.00 0.00 173.24 177.34 2k4z h SER -17 N 8.01 0.00 -2.76 7.02 4.64 -2.04 -3.37 113.55 125.05 2k4z h SER -17 Ca -0.14 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.53 2k4z h SER -17 Cb 1.05 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.99 2k4z h SER -17 CO 0.43 0.34 0.43 -1.00 -0.87 0.00 0.00 176.83 176.16 2k4z s HIS -16 N -4.08 2.77 -0.22 4.77 0.09 -1.26 -5.00 115.29 112.35 2k4z s HIS -16 Ca -0.02 -0.61 -0.29 0.00 -0.00 0.00 0.00 55.06 54.13 2k4z s HIS -16 Cb 0.14 -4.19 -0.02 0.00 -0.00 0.00 0.00 32.58 28.51 2k4z s HIS -16 CO 0.70 -1.53 1.47 -1.01 -0.00 0.00 0.00 174.74 174.37 2k4z s HIS -15 N 3.69 2.38 0.41 1.40 4.02 -1.26 -4.87 115.29 121.06 2k4z s HIS -15 Ca 0.20 0.68 0.16 0.00 1.02 0.00 0.00 55.06 57.12 2k4z s HIS -15 Cb -0.18 -3.89 0.95 0.00 -1.02 0.00 0.00 32.58 28.44 2k4z s HIS -15 CO 0.10 -2.46 1.93 0.45 1.02 0.00 0.00 174.74 175.78 2k4z h HIS -14 N 9.82 0.00 -3.00 1.40 3.86 -1.94 -3.14 115.15 122.15 2k4z h HIS -14 Ca -0.31 0.00 -0.74 0.00 -1.16 0.00 0.00 60.37 58.16 2k4z h HIS -14 Cb 1.13 0.00 -0.21 0.00 1.06 0.00 0.00 27.41 29.39 2k4z h HIS -14 CO 0.88 0.25 0.58 -1.01 0.86 0.00 0.00 177.93 179.50 2k4z s HIS -13 N -4.37 3.48 -0.92 2.45 4.02 -1.26 -5.00 115.29 113.69 2k4z s HIS -13 Ca -0.03 -1.78 -0.24 0.00 1.02 0.00 0.00 55.06 54.03 2k4z s HIS -13 Cb 0.15 -4.08 0.03 0.00 -1.02 0.00 0.00 32.58 27.65 2k4z s HIS -13 CO 0.69 -1.26 1.50 -1.58 1.02 0.00 0.00 174.74 175.12 2k4z s HIS -12 N 1.36 2.33 0.20 1.40 5.65 -1.19 -4.96 115.29 120.07 2k4z s HIS -12 Ca 0.28 -0.37 0.04 0.00 0.25 0.00 0.00 55.06 55.26 2k4z s HIS -12 Cb -0.07 -4.56 -0.03 0.00 -1.18 0.00 0.00 32.58 26.74 2k4z s HIS -12 CO -0.08 -1.96 0.32 -1.58 -0.65 0.00 0.00 174.74 170.78 2k4z s HIS -11 N 6.08 3.46 -1.98 3.88 5.65 -1.26 -4.99 115.29 126.13 2k4z s HIS -11 Ca 0.48 0.04 0.00 0.00 0.25 0.00 0.00 55.06 55.83 2k4z s HIS -11 Cb -0.03 -1.61 0.00 0.00 -1.18 0.00 0.00 32.58 29.75 2k4z s HIS -11 CO -0.01 0.48 0.75 -1.13 -0.65 0.00 0.00 174.74 174.18 2k4z n SER -10 N -0.98 0.02 -4.44 9.88 3.41 -1.26 -4.66 113.62 115.58 2k4z n SER -10 Ca -0.08 -1.52 -0.33 0.00 -0.26 0.00 0.00 58.87 56.67 2k4z n SER -10 Cb 0.56 -0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 64.36 2k4z n SER -10 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2k4z s SER -9 N -1.21 4.37 0.22 4.04 1.04 -1.26 -5.00 113.70 115.90 2k4z s SER -9 Ca 0.00 -0.22 0.09 0.00 0.48 0.00 0.00 55.95 56.30 2k4z s SER -9 Cb 0.00 -1.61 0.18 0.00 0.10 0.00 0.00 66.02 64.69 2k4z s SER -9 CO 0.00 0.19 1.51 1.23 0.98 0.00 0.00 173.24 177.15 2k4z h GLY -8 N 6.51 0.01 -1.89 7.32 0.00 -2.03 -3.45 103.07 109.54 2k4z h GLY -8 Ca -0.31 -0.01 -0.50 0.00 0.00 0.00 0.00 47.33 46.52 2k4z h GLY -8 CO 0.58 0.01 0.22 1.08 0.00 0.00 0.00 176.54 178.42 2k4z s LEU -7 N -7.34 3.54 0.06 3.11 1.43 -1.26 -5.07 118.68 113.16 2k4z s LEU -7 Ca -0.01 1.15 -0.19 0.00 -1.03 0.00 0.00 54.13 54.05 2k4z s LEU -7 Cb 0.12 -4.12 -0.06 0.00 0.03 0.00 0.00 46.19 42.16 2k4z s LEU -7 CO 0.78 -0.63 0.55 0.68 0.23 0.00 0.00 176.35 177.95 2k4z s VAL -6 N -2.80 4.78 0.83 -1.59 -7.23 -1.26 -5.08 120.40 108.06 2k4z s VAL -6 Ca 0.51 1.17 -0.11 0.00 -1.81 0.00 0.00 61.98 61.73 2k4z s VAL -6 Cb -0.10 -3.87 0.09 0.00 0.56 0.00 0.00 36.38 33.05 2k4z s VAL -6 CO 0.44 0.55 1.09 -2.84 -0.31 0.00 0.00 175.10 174.04 2k4z s PRO -5 N -1.07 1.77 -0.09 4.82 0.02 -1.26 -5.05 135.00 134.14 2k4z s PRO -5 Ca 0.28 0.75 -0.06 0.00 0.02 0.00 0.00 61.00 61.99 2k4z s PRO -5 Cb -0.19 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 2k4z s PRO -5 CO 0.18 -1.87 0.16 1.03 -0.33 0.00 0.00 177.00 176.18 2k4z s ARG -4 N -5.05 3.46 0.38 5.54 0.52 -1.26 -5.08 118.95 117.47 2k4z s ARG -4 Ca 0.62 -0.15 -0.25 0.00 -0.52 0.00 0.00 55.73 55.43 2k4z s ARG -4 Cb -0.16 -3.17 -0.09 0.00 0.52 0.00 0.00 34.95 32.05 2k4z s ARG -4 CO 0.55 0.75 1.10 0.20 0.02 0.00 0.00 175.30 177.92 2k4z s GLY -3 N -1.24 2.84 0.80 -3.53 0.00 -1.26 -5.04 107.32 99.89 2k4z s GLY -3 Ca 0.18 0.83 -0.11 0.00 0.00 0.00 0.00 44.72 45.62 2k4z s GLY -3 CO 0.08 1.32 1.16 -0.56 0.00 0.00 0.00 173.10 175.09 2k4z s SER -2 N -1.29 4.45 -0.27 1.64 0.01 -1.26 -5.03 113.70 111.96 2k4z s SER -2 Ca 0.55 0.67 -0.10 0.00 1.31 0.00 0.00 55.95 58.38 2k4z s SER -2 Cb -0.27 -1.15 -0.14 0.00 0.21 0.00 0.00 66.02 64.67 2k4z s SER -2 CO 0.34 -1.91 -0.28 1.41 0.41 0.00 0.00 173.24 173.21 2k4z n HIS -1 N -3.27 0.08 -4.20 2.43 8.25 -1.26 -4.99 115.22 112.26 2k4z n HIS -1 Ca 0.09 0.03 -0.16 0.00 -0.26 0.00 0.00 57.72 57.41 2k4z n HIS -1 Cb 0.61 -1.01 -0.14 0.00 1.12 0.00 0.00 29.99 30.56 2k4z n HIS -1 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2k4z s MET 0 N -2.51 0.49 -0.13 -0.41 -1.94 -1.26 -5.02 119.30 108.52 2k4z s MET 0 Ca -0.37 -0.22 0.10 0.00 -1.71 0.00 0.00 55.69 53.49 2k4z s MET 0 Cb 0.13 -0.47 0.51 0.00 2.01 0.00 0.00 34.83 37.01 2k4z s MET 0 CO 0.53 0.13 1.31 -1.33 -0.01 0.00 0.00 175.02 175.65 2k4z n MET 1 N 2.92 3.30 -2.01 2.03 0.00 -1.26 -4.89 117.12 117.21 2k4z n MET 1 Ca -0.13 -1.97 -0.43 0.00 0.00 0.00 0.00 57.70 55.17 2k4z n MET 1 Cb 0.58 -1.90 -0.03 0.00 0.00 0.00 0.00 33.22 31.87 2k4z n MET 1 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 175.97 176.09 2k4z s PHE 2 N -2.02 1.95 -0.33 2.03 5.36 -1.26 -3.59 117.98 120.12 2k4z s PHE 2 Ca 0.34 0.35 -0.07 0.00 -0.96 0.00 0.00 56.93 56.59 2k4z s PHE 2 Cb 0.25 -3.96 0.03 0.00 -0.34 0.00 0.00 43.02 39.00 2k4z s PHE 2 CO 0.12 -3.53 0.11 0.15 -1.46 0.00 0.00 175.22 170.60 2k4z s LYS 3 N 4.49 2.77 -0.31 10.12 1.02 0.00 -4.94 119.74 132.89 2k4z s LYS 3 Ca 0.75 -1.08 -0.10 0.00 0.02 0.00 0.00 55.97 55.56 2k4z s LYS 3 Cb -0.30 -3.46 -0.01 0.00 -0.52 0.00 0.00 37.83 33.55 2k4z s LYS 3 CO 0.30 -0.61 0.16 -1.17 -0.92 0.00 0.00 175.35 173.11 2k4z s LEU 4 N 1.44 4.12 0.57 3.17 0.20 -1.26 0.34 118.68 127.26 2k4z s LEU 4 Ca -0.00 -0.50 -0.19 0.00 0.69 0.00 0.00 54.13 54.12 2k4z s LEU 4 Cb -0.19 -2.01 -0.04 0.00 -0.43 0.00 0.00 46.19 43.52 2k4z s LEU 4 CO 0.03 -0.19 1.19 0.42 -0.29 0.00 0.00 176.35 177.51 2k4z s THR 5 N 1.62 2.79 0.58 3.68 -4.23 -0.95 -4.64 115.64 114.50 2k4z s THR 5 Ca 0.05 0.50 0.41 0.00 -1.18 0.00 0.00 61.69 61.46 2k4z s THR 5 Cb -0.17 -3.21 0.42 0.00 1.34 0.00 0.00 72.50 70.89 2k4z s THR 5 CO 0.07 -0.10 2.30 -0.65 -0.54 0.00 0.00 174.62 175.70 2k4z h PRO 6 N 1.05 0.00 0.09 3.99 0.11 -1.93 0.24 132.00 135.54 2k4z h PRO 6 Ca -0.50 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 2k4z h PRO 6 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2k4z h PRO 6 CO 0.56 0.01 -0.04 0.00 -0.21 0.00 0.00 178.00 178.31 2k4z h ALA 7 N 1.99 -0.12 -0.55 -0.75 0.00 -1.96 -2.99 119.26 114.88 2k4z h ALA 7 Ca -0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 2k4z h ALA 7 Cb 0.07 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2k4z h ALA 7 CO 0.00 -0.18 0.02 0.00 0.00 0.00 0.00 179.25 179.10 2k4z h ALA 8 N -0.31 1.00 -0.40 0.00 0.00 -1.77 -2.23 119.26 115.55 2k4z h ALA 8 Ca -0.01 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.64 2k4z h ALA 8 Cb 0.56 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2k4z h ALA 8 CO 0.02 0.62 0.27 0.00 0.00 0.00 0.00 179.25 180.16 2k4z h ALA 9 N 1.16 1.81 -0.62 0.00 0.00 -1.09 -0.07 119.26 120.45 2k4z h ALA 9 Ca 0.17 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2k4z h ALA 9 Cb 0.47 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2k4z h ALA 9 CO 0.02 0.15 0.11 1.49 0.00 0.00 0.00 179.25 181.02 2k4z h GLU 10 N 0.46 1.02 0.00 0.00 4.81 -1.25 -0.01 114.58 119.61 2k4z h GLU 10 Ca 0.16 -0.27 -0.11 0.00 -0.13 0.00 0.00 59.36 59.01 2k4z h GLU 10 Cb 0.07 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 2k4z h GLU 10 CO -0.04 0.95 -0.51 0.37 -0.73 0.00 0.00 179.01 179.06 2k4z h GLN 11 N 0.93 0.00 -0.42 1.92 4.15 -1.09 0.16 115.11 120.76 2k4z h GLN 11 Ca 0.19 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.55 2k4z h GLN 11 Cb 0.42 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 2k4z h GLN 11 CO 0.01 0.51 0.05 0.28 -1.93 0.00 0.00 178.83 177.75 2k4z h VAL 12 N 0.00 1.25 -0.59 2.39 2.07 -0.69 0.82 116.25 121.50 2k4z h VAL 12 Ca -0.01 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 2k4z h VAL 12 Cb 1.13 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 2k4z h VAL 12 CO 0.07 0.32 0.37 0.25 0.02 0.00 0.00 177.57 178.59 2k4z h LEU 13 N 0.57 0.70 -0.34 2.57 5.85 -0.58 0.81 115.31 124.89 2k4z h LEU 13 Ca 0.13 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.86 2k4z h LEU 13 Cb 0.41 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 2k4z h LEU 13 CO 0.01 0.54 0.02 0.50 -0.34 0.00 0.00 178.44 179.17 2k4z h LYS 14 N 0.80 0.11 -0.69 1.25 3.64 -0.44 0.17 116.57 121.42 2k4z h LYS 14 Ca 0.21 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.51 2k4z h LYS 14 Cb -0.04 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 2k4z h LYS 14 CO -0.04 0.07 0.13 0.00 -2.27 0.00 0.00 179.45 177.34 2k4z h ALA 15 N 1.28 0.93 -0.58 5.00 0.00 -0.46 -0.44 119.26 124.99 2k4z h ALA 15 Ca 0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2k4z h ALA 15 Cb 0.21 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2k4z h ALA 15 CO -0.26 0.67 0.29 0.00 0.00 0.00 0.00 179.25 179.95 2k4z h ALA 16 N 1.08 0.75 -0.15 0.00 0.00 -0.35 0.13 119.26 120.72 2k4z h ALA 16 Ca 0.21 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2k4z h ALA 16 Cb 0.42 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2k4z h ALA 16 CO 0.01 0.30 -0.25 0.87 0.00 0.00 0.00 179.25 180.18 2k4z h LYS 17 N 0.79 0.44 0.00 0.00 1.57 -0.77 -0.01 116.57 118.58 2k4z h LYS 17 Ca 0.20 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2k4z h LYS 17 Cb 0.09 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2k4z h LYS 17 CO -0.03 0.86 0.00 1.04 -0.57 0.00 0.00 179.45 180.75 2k4z n GLN 18 N -4.44 0.22 0.01 3.15 6.02 -0.19 -2.50 117.38 119.66 2k4z n GLN 18 Ca -0.06 0.29 0.11 0.00 -0.01 0.00 0.00 57.00 57.33 2k4z n GLN 18 Cb 0.44 -1.82 -0.10 0.00 1.02 0.00 0.00 30.24 29.78 2k4z n GLN 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k4z n GLY 19 N 0.77 -1.09 2.27 1.08 0.00 0.46 -4.99 105.19 103.68 2k4z n GLY 19 Ca 0.04 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 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 1.33 0.37 0.66 -0.02 0.00 -0.24 -4.96 105.19 102.32 2k4z n GLY 20 Ca -0.01 -0.35 0.06 0.00 0.00 0.00 0.00 46.02 45.72 2k4z n GLY 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k4z n THR 21 N -3.49 1.79 0.39 2.61 -1.04 -0.18 -4.76 114.28 109.60 2k4z n THR 21 Ca -0.01 -2.71 0.09 0.00 -2.04 0.00 0.00 64.05 59.38 2k4z n THR 21 Cb 0.53 -0.04 0.37 0.00 -1.82 0.00 0.00 70.33 69.37 2k4z n THR 21 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2k4z n GLU 22 N -0.90 0.09 -0.01 -2.82 1.02 -1.24 -2.79 120.64 113.99 2k4z n GLU 22 Ca 0.16 0.37 0.13 0.00 -0.02 0.00 0.00 57.16 57.81 2k4z n GLU 22 Cb 0.75 -1.68 0.58 0.00 -0.02 0.00 0.00 31.44 31.07 2k4z n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k4z n GLY 23 N -0.24 -0.20 3.53 0.62 0.00 -1.26 -4.89 105.19 102.75 2k4z n GLY 23 Ca 0.02 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.96 1.81 0.07 1.61 -1.94 -1.12 -5.04 119.30 112.73 2k4z s MET 24 Ca 0.38 -2.05 0.01 0.00 -1.71 0.00 0.00 55.69 52.33 2k4z s MET 24 Cb 0.20 -1.05 -0.04 0.00 2.01 0.00 0.00 34.83 35.95 2k4z s MET 24 CO 0.32 -0.22 0.17 0.00 -0.01 0.00 0.00 175.02 175.28 2k4z s LEU 26 N -2.52 3.66 -0.17 0.00 2.96 -0.93 -0.10 118.68 121.59 2k4z s LEU 26 Ca 0.33 0.99 -0.03 0.00 -0.22 0.00 0.00 54.13 55.21 2k4z s LEU 26 Cb -0.13 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 2k4z s LEU 26 CO 0.26 -1.37 -0.07 -0.60 -1.32 0.00 0.00 176.35 173.26 2k4z s ARG 27 N 4.81 3.49 -0.23 1.98 3.52 0.82 -0.38 118.95 132.96 2k4z s ARG 27 Ca 0.62 -0.60 -0.12 0.00 -0.13 0.00 0.00 55.73 55.50 2k4z s ARG 27 Cb -0.16 -2.86 -0.05 0.00 -1.56 0.00 0.00 34.95 30.33 2k4z s ARG 27 CO 0.31 0.10 0.24 -0.51 -0.81 0.00 0.00 175.30 174.63 2k4z s LEU 28 N 0.70 4.12 -0.06 -0.88 1.43 -0.85 -2.55 118.68 120.58 2k4z s LEU 28 Ca -0.03 0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 2k4z s LEU 28 Cb -0.15 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 2k4z s LEU 28 CO 0.02 0.00 -0.12 0.00 0.23 0.00 0.00 176.35 176.48 2k4z s ALA 29 N 1.24 2.76 -0.02 4.21 0.00 0.12 -4.44 121.76 125.62 2k4z s ALA 29 Ca 0.11 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.15 2k4z s ALA 29 Cb -0.14 -1.05 -0.00 0.00 0.00 0.00 0.00 23.12 21.93 2k4z s ALA 29 CO 0.06 0.55 -0.11 0.00 0.00 0.00 0.00 175.76 176.26 2k4z s ALA 30 N -0.72 1.01 0.35 0.00 0.00 -1.26 -0.36 121.76 120.78 2k4z s ALA 30 Ca 0.11 -0.45 0.09 0.00 0.00 0.00 0.00 51.96 51.71 2k4z s ALA 30 Cb -0.11 -0.32 -0.06 0.00 0.00 0.00 0.00 23.12 22.63 2k4z s ALA 30 CO 0.01 0.20 -0.05 0.20 0.00 0.00 0.00 175.76 176.12 2k4z s GLY 31 N -0.01 2.21 -0.17 0.00 0.00 0.52 -4.90 107.32 104.96 2k4z s GLY 31 Ca -0.00 -2.09 -0.03 0.00 0.00 0.00 0.00 44.72 42.60 2k4z s GLY 31 CO 0.00 -2.01 -0.06 0.50 0.00 0.00 0.00 173.10 171.54 2k4z s ARG 32 N -3.65 3.50 -0.31 2.90 0.52 -1.26 -0.18 118.95 120.46 2k4z s ARG 32 Ca 0.34 -0.60 -0.16 0.00 -0.52 0.00 0.00 55.73 54.79 2k4z s ARG 32 Cb 0.03 -2.88 -0.02 0.00 0.52 0.00 0.00 34.95 32.59 2k4z s ARG 32 CO 0.18 0.08 0.41 -0.80 0.02 0.00 0.00 175.30 175.18 2k4z s ASN 33 N 0.77 6.25 -0.62 0.23 0.01 -0.41 -4.91 114.94 116.25 2k4z s ASN 33 Ca -0.02 0.04 -0.06 0.00 -0.71 0.00 0.00 52.86 52.11 2k4z s ASN 33 Cb -0.15 -2.22 -0.21 0.00 0.41 0.00 0.00 41.25 39.08 2k4z s ASN 33 CO 0.02 -0.31 1.35 -2.65 -1.51 0.00 0.00 177.10 173.99 2k4z n PRO 34 N 5.46 0.00 -3.16 -0.60 -0.02 -1.26 -0.06 135.00 135.36 2k4z n PRO 34 Ca -0.08 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.20 2k4z n PRO 34 Cb 0.50 -0.63 -0.00 0.00 -0.02 0.00 0.00 33.50 33.34 2k4z n PRO 34 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2k4z n ASP 35 N 3.49 -3.67 0.02 2.55 9.92 -1.26 -4.80 116.55 122.79 2k4z n ASP 35 Ca 0.42 -0.25 -0.00 0.00 -0.53 0.00 0.00 54.79 54.43 2k4z n ASP 35 Cb 0.09 -3.06 -0.00 0.00 -0.64 0.00 0.00 41.12 37.50 2k4z n ASP 35 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k4z n GLY 36 N -1.08 -0.01 3.55 0.44 0.00 0.92 -5.14 105.19 103.86 2k4z n GLY 36 Ca -0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 -5.38 -0.00 -0.08 1.61 1.04 -1.18 -4.83 113.70 104.88 2k4z s SER 37 Ca -0.01 -1.02 -0.12 0.00 0.48 0.00 0.00 55.95 55.28 2k4z s SER 37 Cb 0.00 0.57 -0.05 0.00 0.10 0.00 0.00 66.02 66.65 2k4z s SER 37 CO 0.02 -1.13 0.30 -0.63 0.98 0.00 0.00 173.24 172.78 2k4z s ILE 38 N -3.95 5.24 -0.14 -1.02 1.01 -1.26 -1.29 121.20 119.80 2k4z s ILE 38 Ca 0.25 0.58 -0.16 0.00 0.00 0.00 0.00 60.65 61.32 2k4z s ILE 38 Cb 0.00 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 2k4z s ILE 38 CO 0.10 0.54 0.38 -0.62 0.00 0.00 0.00 174.94 175.34 2k4z s ASP 39 N -0.62 6.56 -0.12 3.58 2.15 0.75 -4.92 116.67 124.04 2k4z s ASP 39 Ca 0.19 0.66 0.02 0.00 0.43 0.00 0.00 52.55 53.85 2k4z s ASP 39 Cb -0.14 -2.23 -0.00 0.00 -0.30 0.00 0.00 42.92 40.24 2k4z s ASP 39 CO 0.08 0.05 -0.19 -0.31 -0.17 0.00 0.00 175.17 174.63 2k4z s TYR 40 N 0.56 2.68 -0.15 -5.34 2.02 -1.26 -0.36 117.35 115.50 2k4z s TYR 40 Ca 0.21 -0.97 -0.01 0.00 -0.37 0.00 0.00 57.07 55.94 2k4z s TYR 40 Cb -0.14 -1.79 0.04 0.00 -0.40 0.00 0.00 41.96 39.67 2k4z s TYR 40 CO 0.07 -0.39 -0.06 0.50 -1.57 0.00 0.00 175.55 174.10 2k4z s ARG 41 N 0.48 1.43 -0.36 -0.62 3.52 0.52 -5.01 118.95 118.91 2k4z s ARG 41 Ca -0.13 -0.44 -0.08 0.00 -0.13 0.00 0.00 55.73 54.96 2k4z s ARG 41 Cb -0.17 -1.88 0.04 0.00 -1.56 0.00 0.00 34.95 31.38 2k4z s ARG 41 CO 0.05 -0.39 0.15 -1.64 -0.81 0.00 0.00 175.30 172.66 2k4z s MET 42 N 1.66 2.68 0.13 5.12 -1.94 -1.26 -0.70 119.30 124.99 2k4z s MET 42 Ca 0.02 -1.17 -0.01 0.00 -1.71 0.00 0.00 55.69 52.82 2k4z s MET 42 Cb -0.15 -3.57 -0.04 0.00 2.01 0.00 0.00 34.83 33.09 2k4z s MET 42 CO -0.08 -0.70 0.05 0.20 -0.01 0.00 0.00 175.02 174.49 2k4z s GLY 43 N 1.49 1.00 -0.08 -0.03 0.00 -1.06 -5.01 107.32 103.63 2k4z s GLY 43 Ca -0.00 -1.48 -0.18 0.00 0.00 0.00 0.00 44.72 43.06 2k4z s GLY 43 CO 0.04 -1.37 0.48 -1.36 0.00 0.00 0.00 173.10 170.89 2k4z s PHE 44 N -4.04 3.57 0.26 1.90 0.08 -1.26 -0.13 117.98 118.37 2k4z s PHE 44 Ca 0.24 0.95 -0.02 0.00 0.12 0.00 0.00 56.93 58.22 2k4z s PHE 44 Cb 0.07 -2.52 -0.02 0.00 -0.57 0.00 0.00 43.02 39.98 2k4z s PHE 44 CO 0.02 0.27 0.30 0.34 -0.10 0.00 0.00 175.22 176.04 2k4z s ASP 45 N 0.25 0.54 0.28 1.36 2.15 0.86 -4.88 116.67 117.23 2k4z s ASP 45 Ca 0.26 -1.39 -0.28 0.00 0.43 0.00 0.00 52.55 51.57 2k4z s ASP 45 Cb -0.16 0.51 -0.09 0.00 -0.30 0.00 0.00 42.92 42.88 2k4z s ASP 45 CO 0.12 -1.04 0.97 1.51 -0.17 0.00 0.00 175.17 176.56 2k4z s ASP 46 N -3.19 7.45 -0.18 -0.34 -4.77 -1.26 -0.84 116.67 113.54 2k4z s ASP 46 Ca 0.34 1.97 -0.29 0.00 -3.30 0.00 0.00 52.55 51.27 2k4z s ASP 46 Cb 0.03 -2.60 -0.03 0.00 -1.09 0.00 0.00 42.92 39.23 2k4z s ASP 46 CO 0.16 0.01 1.62 -0.22 0.70 0.00 0.00 175.17 177.44 2k4z s LEU 47 N -1.56 3.99 -0.06 2.11 0.20 -1.26 -4.90 118.68 117.20 2k4z s LEU 47 Ca 0.45 1.76 -0.05 0.00 0.69 0.00 0.00 54.13 56.98 2k4z s LEU 47 Cb -0.25 -3.53 -0.04 0.00 -0.43 0.00 0.00 46.19 41.94 2k4z s LEU 47 CO 0.31 -1.18 0.16 0.42 -0.29 0.00 0.00 176.35 175.77 2k4z s THR 48 N 4.93 5.45 0.19 3.68 -4.23 -1.26 -5.00 115.64 119.40 2k4z s THR 48 Ca 0.71 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 61.49 2k4z s THR 48 Cb -0.27 -3.47 0.28 0.00 1.34 0.00 0.00 72.50 70.38 2k4z s THR 48 CO 0.29 0.46 1.91 -0.33 -0.54 0.00 0.00 174.62 176.40 2k4z h GLU 49 N 4.34 0.00 0.00 3.99 5.08 -2.03 -2.91 114.58 123.05 2k4z h GLU 49 Ca -0.52 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.77 2k4z h GLU 49 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2k4z h GLU 49 CO 0.64 0.16 -0.37 0.22 -1.00 0.00 0.00 179.01 178.66 2k4z h ASP 50 N 0.00 0.00 -4.09 1.42 3.58 -1.98 -3.45 116.42 111.90 2k4z h ASP 50 Ca -0.00 0.00 -0.45 0.00 0.42 0.00 0.00 57.03 56.99 2k4z h ASP 50 Cb 0.62 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 2k4z h ASP 50 CO 0.02 0.37 0.34 -1.81 -2.88 0.00 0.00 179.24 175.29 2k4z s ASP 51 N -6.37 6.81 0.01 2.28 1.11 -1.10 -4.66 116.67 114.76 2k4z s ASP 51 Ca 0.02 1.62 -0.28 0.00 0.18 0.00 0.00 52.55 54.09 2k4z s ASP 51 Cb 0.09 -2.52 -0.04 0.00 1.07 0.00 0.00 42.92 41.52 2k4z s ASP 51 CO 0.70 -0.44 0.88 -0.63 1.18 0.00 0.00 175.17 176.86 2k4z s ILE 52 N -2.34 4.82 -0.07 0.77 1.01 0.88 -4.75 121.20 121.52 2k4z s ILE 52 Ca 0.60 1.87 -0.21 0.00 0.00 0.00 0.00 60.65 62.91 2k4z s ILE 52 Cb -0.09 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 2k4z s ILE 52 CO 0.20 0.24 0.60 -0.13 0.00 0.00 0.00 174.94 175.85 2k4z s ARG 53 N 0.61 4.37 -0.28 2.79 0.52 -1.26 -0.81 118.95 124.89 2k4z s ARG 53 Ca 0.46 0.70 0.01 0.00 -0.52 0.00 0.00 55.73 56.38 2k4z s ARG 53 Cb -0.21 -3.42 0.08 0.00 0.52 0.00 0.00 34.95 31.93 2k4z s ARG 53 CO 0.25 0.18 0.00 -0.51 0.02 0.00 0.00 175.30 175.25 2k4z s LEU 54 N 0.48 3.03 -0.50 2.53 1.43 0.16 -4.99 118.68 120.82 2k4z s LEU 54 Ca 0.32 -1.52 -0.24 0.00 -1.03 0.00 0.00 54.13 51.66 2k4z s LEU 54 Cb -0.17 -1.22 0.03 0.00 0.03 0.00 0.00 46.19 44.86 2k4z s LEU 54 CO 0.15 -0.31 0.90 -0.89 0.23 0.00 0.00 176.35 176.43 2k4z s THR 55 N 1.32 4.48 0.00 5.49 2.01 -1.26 -0.87 115.64 126.80 2k4z s THR 55 Ca 0.02 0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.48 2k4z s THR 55 Cb -0.19 -4.46 0.00 0.00 0.01 0.00 0.00 72.50 67.87 2k4z s THR 55 CO -0.11 -0.93 0.00 -1.54 -0.69 0.00 0.00 174.62 171.35 2k4z n SER 56 N 7.19 0.00 -3.41 3.53 3.41 -0.49 -4.90 113.62 118.95 2k4z n SER 56 Ca 0.03 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.25 2k4z n SER 56 Cb 0.48 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 2k4z n SER 56 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k4z n GLU 57 N 0.00 3.82 0.00 4.33 -0.58 -1.26 -4.27 120.64 122.67 2k4z n GLU 57 Ca 0.00 -2.58 0.00 0.00 -0.42 0.00 0.00 57.16 54.16 2k4z n GLU 57 Cb 0.00 -2.82 0.00 0.00 -0.57 0.00 0.00 31.44 28.05 2k4z n GLU 57 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k4z n GLY 58 N 3.18 2.15 3.68 0.62 0.00 -1.26 -4.93 105.19 108.64 2k4z n GLY 58 Ca 0.71 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.66 4.98 -0.25 1.61 1.01 -1.26 -5.03 120.40 120.80 2k4z s VAL 59 Ca 0.00 1.41 -0.21 0.00 0.00 0.00 0.00 61.98 63.18 2k4z s VAL 59 Cb 0.00 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 2k4z s VAL 59 CO 0.00 0.12 0.65 -0.70 0.00 0.00 0.00 175.10 175.17 2k4z s GLU 60 N 1.70 4.12 0.01 2.72 2.12 -1.26 -1.40 118.70 126.71 2k4z s GLU 60 Ca 0.34 0.60 0.06 0.00 0.36 0.00 0.00 54.97 56.33 2k4z s GLU 60 Cb -0.17 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.55 2k4z s GLU 60 CO 0.13 -0.42 -0.16 0.42 -0.54 0.00 0.00 175.26 174.69 2k4z s ILE 61 N 2.52 2.92 -0.03 -3.70 1.01 -0.05 -2.18 121.20 121.69 2k4z s ILE 61 Ca 0.27 -1.02 0.04 0.00 0.00 0.00 0.00 60.65 59.94 2k4z s ILE 61 Cb -0.15 -2.21 -0.00 0.00 0.01 0.00 0.00 42.46 40.11 2k4z s ILE 61 CO 0.08 0.42 -0.14 0.68 0.00 0.00 0.00 174.94 175.98 2k4z s VAL 62 N -0.87 1.20 -0.09 2.92 -7.23 0.49 0.36 120.40 117.18 2k4z s VAL 62 Ca 0.14 -0.60 0.01 0.00 -1.81 0.00 0.00 61.98 59.72 2k4z s VAL 62 Cb -0.11 -1.03 0.02 0.00 0.56 0.00 0.00 36.38 35.82 2k4z s VAL 62 CO 0.04 0.35 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.46 2k4z s ILE 63 N 0.01 1.07 0.36 -0.62 1.01 0.01 -2.02 121.20 121.02 2k4z s ILE 63 Ca -0.02 -0.37 -0.26 0.00 0.00 0.00 0.00 60.65 60.00 2k4z s ILE 63 Cb -0.10 -1.04 -0.09 0.00 0.01 0.00 0.00 42.46 41.25 2k4z s ILE 63 CO 0.01 0.36 1.14 0.00 0.00 0.00 0.00 174.94 176.45 2k4z s ALA 64 N 1.25 3.24 0.41 9.38 0.00 -1.26 -0.08 121.76 134.70 2k4z s ALA 64 Ca -0.03 0.92 0.19 0.00 0.00 0.00 0.00 51.96 53.03 2k4z s ALA 64 Cb -0.14 -3.35 1.11 0.00 0.00 0.00 0.00 23.12 20.73 2k4z s ALA 64 CO -0.03 -0.37 1.80 -1.35 0.00 0.00 0.00 175.76 175.80 2k4z h PRO 65 N 3.00 0.38 -0.63 0.00 0.11 -1.97 0.76 132.00 133.65 2k4z h PRO 65 Ca -0.48 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.62 2k4z h PRO 65 Cb 1.22 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 2k4z h PRO 65 CO 0.64 0.25 0.42 -0.44 -0.21 0.00 0.00 178.00 178.66 2k4z h ASP 66 N 0.39 0.71 0.03 -2.05 5.19 -1.99 -2.88 116.42 115.83 2k4z h ASP 66 Ca 0.55 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.94 2k4z h ASP 66 Cb 1.41 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.74 2k4z h ASP 66 CO -0.24 0.51 -1.00 -1.22 -3.12 0.00 0.00 179.24 174.17 2k4z n TYR 67 N -4.44 0.00 -0.28 4.55 4.01 0.18 -4.56 117.16 116.61 2k4z n TYR 67 Ca 0.07 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.76 2k4z n TYR 67 Cb 0.05 -0.03 -0.00 0.00 -0.31 0.00 0.00 39.34 39.05 2k4z n TYR 67 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2k4z h VAL 68 N 0.00 0.07 0.00 -0.72 2.07 -1.09 -0.67 116.25 115.91 2k4z h VAL 68 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2k4z h VAL 68 Cb 0.51 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2k4z h VAL 68 CO 0.00 0.00 -0.05 0.77 0.02 0.00 0.00 177.57 178.31 2k4z h SER 69 N -0.11 0.00 0.69 0.57 4.64 -1.80 -1.15 113.55 116.39 2k4z h SER 69 Ca 0.25 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.49 2k4z h SER 69 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 2k4z h SER 69 CO -0.81 0.05 -1.38 0.18 -0.87 0.00 0.00 176.83 174.00 2k4z n LEU 70 N -3.27 0.69 -0.91 5.97 4.77 -0.36 -4.02 117.00 119.86 2k4z n LEU 70 Ca -0.01 0.28 0.10 0.00 -0.03 0.00 0.00 56.01 56.36 2k4z n LEU 70 Cb 0.23 0.03 0.13 0.00 -2.33 0.00 0.00 43.42 41.48 2k4z n LEU 70 CO 0.27 0.00 0.62 0.18 -1.33 0.00 0.00 177.39 177.12 2k4z n LEU 71 N -2.70 2.95 -4.85 2.23 4.77 -0.61 -4.90 117.00 113.89 2k4z n LEU 71 Ca -0.06 -1.21 -0.33 0.00 -0.03 0.00 0.00 56.01 54.38 2k4z n LEU 71 Cb 0.70 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.64 2k4z n LEU 71 CO 0.42 0.57 0.31 -0.62 -1.33 0.00 0.00 177.39 176.74 2k4z s ASP 72 N -1.59 6.76 -1.46 -1.43 2.15 -0.50 -3.82 116.67 116.79 2k4z s ASP 72 Ca 0.28 1.13 0.00 0.00 0.43 0.00 0.00 52.55 54.40 2k4z s ASP 72 Cb 0.19 -2.31 0.00 0.00 -0.30 0.00 0.00 42.92 40.49 2k4z s ASP 72 CO 0.27 -0.08 0.00 0.00 -0.17 0.00 0.00 175.17 175.19 2k4z n GLN 73 N 0.05 -1.34 -3.12 4.34 6.02 -1.24 -4.85 117.38 117.24 2k4z n GLN 73 Ca 0.00 0.97 -0.42 0.00 -0.01 0.00 0.00 57.00 57.54 2k4z n GLN 73 Cb 0.52 -5.22 -0.07 0.00 1.02 0.00 0.00 30.24 26.50 2k4z n GLN 73 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2k4z s THR 74 N -2.32 4.90 -0.26 5.09 2.01 -1.25 -4.28 115.64 119.53 2k4z s THR 74 Ca 0.00 0.62 -0.17 0.00 0.31 0.00 0.00 61.69 62.44 2k4z s THR 74 Cb 0.00 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 2k4z s THR 74 CO 0.00 -0.28 0.50 -0.89 -0.69 0.00 0.00 174.62 173.26 2k4z s THR 75 N 2.68 5.08 -0.22 -0.82 2.01 0.54 -0.82 115.64 124.09 2k4z s THR 75 Ca 0.24 0.82 -0.05 0.00 0.31 0.00 0.00 61.69 63.01 2k4z s THR 75 Cb -0.15 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 2k4z s THR 75 CO 0.14 0.09 0.00 -0.22 -0.69 0.00 0.00 174.62 173.94 2k4z s LEU 76 N 2.28 3.15 0.21 4.42 2.96 0.15 -0.26 118.68 131.58 2k4z s LEU 76 Ca 0.20 -0.29 -0.07 0.00 -0.22 0.00 0.00 54.13 53.75 2k4z s LEU 76 Cb -0.16 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 2k4z s LEU 76 CO 0.09 0.00 0.30 -0.62 -1.32 0.00 0.00 176.35 174.80 2k4z s ASP 77 N 1.37 0.04 -0.11 3.68 2.15 -1.06 -2.24 116.67 120.50 2k4z s ASP 77 Ca 0.05 -1.08 0.02 0.00 0.43 0.00 0.00 52.55 51.97 2k4z s ASP 77 Cb -0.15 0.47 -0.01 0.00 -0.30 0.00 0.00 42.92 42.93 2k4z s ASP 77 CO 0.00 -0.96 -0.18 -0.72 -0.17 0.00 0.00 175.17 173.14 2k4z s TYR 78 N -4.05 2.69 0.04 -5.34 1.13 -1.26 0.27 117.35 110.82 2k4z s TYR 78 Ca 0.27 -0.75 -0.00 0.00 -1.41 0.00 0.00 57.07 55.17 2k4z s TYR 78 Cb 0.03 -1.76 -0.03 0.00 -1.10 0.00 0.00 41.96 39.10 2k4z s TYR 78 CO 0.07 -0.25 -0.03 0.14 -2.51 0.00 0.00 175.55 172.97 2k4z s VAL 79 N 0.23 0.19 -1.02 -3.49 -7.23 -0.17 -4.90 120.40 104.00 2k4z s VAL 79 Ca -0.11 -1.35 -0.23 0.00 -1.81 0.00 0.00 61.98 58.48 2k4z s VAL 79 Cb -0.16 -0.87 0.02 0.00 0.56 0.00 0.00 36.38 35.92 2k4z s VAL 79 CO 0.06 -0.73 1.65 -1.61 -0.31 0.00 0.00 175.10 174.17 2k4z s GLU 80 N -2.63 3.26 0.41 4.82 2.02 -1.26 -0.44 118.70 124.89 2k4z s GLU 80 Ca -0.05 -0.96 0.28 0.00 0.02 0.00 0.00 54.97 54.27 2k4z s GLU 80 Cb -0.02 -5.28 1.04 0.00 0.10 0.00 0.00 34.13 29.98 2k4z s GLU 80 CO -0.05 -2.66 1.83 -0.07 0.02 0.00 0.00 175.26 174.33 2k4z h LEU 81 N 14.56 0.00 -7.84 1.80 3.38 -1.87 -3.42 115.31 121.92 2k4z h LEU 81 Ca 0.19 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.82 2k4z h LEU 81 Cb 0.99 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.44 2k4z h LEU 81 CO 1.36 0.00 -0.76 -1.61 0.09 0.00 0.00 178.44 177.52 2k4z s GLU 82 N -3.44 0.50 -0.32 1.13 2.02 -1.24 -5.07 118.70 112.28 2k4z s GLU 82 Ca 0.04 -0.14 -0.30 0.00 0.02 0.00 0.00 54.97 54.58 2k4z s GLU 82 Cb 0.09 -0.51 -0.08 0.00 0.10 0.00 0.00 34.13 33.73 2k4z s GLU 82 CO 0.52 0.05 2.26 -2.30 0.02 0.00 0.00 175.26 175.81 2k4z n PRO 83 N 3.29 1.49 0.00 0.39 -0.02 -1.26 -0.43 135.00 138.47 2k4z n PRO 83 Ca -0.17 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 2k4z n PRO 83 Cb 0.56 -2.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 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 6.08 0.89 3.08 -1.23 0.00 -1.26 -5.05 105.19 107.69 2k4z n GLY 84 Ca 0.36 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.06 2k4z n GLY 84 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k4z s GLN 85 N -0.70 2.34 -0.61 1.61 -0.21 0.43 -5.07 119.66 117.46 2k4z s GLN 85 Ca 0.00 -1.28 -0.25 0.00 0.02 0.00 0.00 55.36 53.85 2k4z s GLN 85 Cb 0.00 -2.85 0.04 0.00 1.00 0.00 0.00 33.01 31.21 2k4z s GLN 85 CO 0.00 -0.52 1.05 -0.06 -2.12 0.00 0.00 175.29 173.63 2k4z s PHE 86 N 1.13 2.66 -0.11 0.91 0.08 -1.26 -3.48 117.98 117.90 2k4z s PHE 86 Ca -0.07 -0.04 -0.10 0.00 0.12 0.00 0.00 56.93 56.85 2k4z s PHE 86 Cb -0.19 -4.28 -0.05 0.00 -0.57 0.00 0.00 43.02 37.93 2k4z s PHE 86 CO -0.06 -1.56 0.21 -1.01 -0.10 0.00 0.00 175.22 172.69 2k4z s HIS 87 N 4.44 3.58 -0.04 0.36 3.76 0.42 -4.82 115.29 123.00 2k4z s HIS 87 Ca 0.32 0.60 -0.30 0.00 -0.15 0.00 0.00 55.06 55.53 2k4z s HIS 87 Cb -0.12 -2.08 -0.03 0.00 1.11 0.00 0.00 32.58 31.46 2k4z s HIS 87 CO 0.18 0.60 1.08 -0.06 -0.85 0.00 0.00 174.74 175.70 2k4z s PHE 88 N -0.68 3.46 -0.12 1.40 0.08 -1.26 -1.00 117.98 119.85 2k4z s PHE 88 Ca 0.16 1.48 -0.02 0.00 0.12 0.00 0.00 56.93 58.66 2k4z s PHE 88 Cb -0.13 -3.27 -0.03 0.00 -0.57 0.00 0.00 43.02 39.02 2k4z s PHE 88 CO 0.05 -0.62 -0.03 0.96 -0.10 0.00 0.00 175.22 175.48 2k4z s ILE 89 N 1.64 3.99 -0.63 0.64 -4.36 0.14 -4.96 121.20 117.66 2k4z s ILE 89 Ca 0.53 -0.35 -0.10 0.00 -0.26 0.00 0.00 60.65 60.47 2k4z s ILE 89 Cb -0.22 -2.70 0.16 0.00 1.25 0.00 0.00 42.46 40.94 2k4z s ILE 89 CO 0.24 0.55 0.52 -0.36 0.24 0.00 0.00 174.94 176.12 2k4z s PHE 90 N -0.23 3.50 -0.83 1.37 0.40 -1.26 -2.55 117.98 118.39 2k4z s PHE 90 Ca 0.04 -2.01 -0.22 0.00 -0.60 0.00 0.00 56.93 54.15 2k4z s PHE 90 Cb -0.13 -3.58 0.08 0.00 0.51 0.00 0.00 43.02 39.91 2k4z s PHE 90 CO 0.02 -0.96 1.15 -0.51 0.70 0.00 0.00 175.22 175.61 2k4z s LEU 91 N 0.72 4.30 -0.12 -0.37 1.43 0.64 -4.85 118.68 120.42 2k4z s LEU 91 Ca 0.12 -1.37 0.02 0.00 -1.03 0.00 0.00 54.13 51.86 2k4z s LEU 91 Cb -0.20 -2.46 0.02 0.00 0.03 0.00 0.00 46.19 43.57 2k4z s LEU 91 CO -0.03 -1.38 -0.16 0.21 0.23 0.00 0.00 176.35 175.22 2k4z s ASN 92 N 3.92 2.59 0.03 2.29 3.84 -1.26 -0.34 114.94 126.01 2k4z s ASN 92 Ca 0.32 -0.47 0.10 0.00 0.21 0.00 0.00 52.86 53.02 2k4z s ASN 92 Cb -0.09 -1.16 0.44 0.00 -0.55 0.00 0.00 41.25 39.89 2k4z s ASN 92 CO 0.00 0.01 1.32 -0.81 -2.79 0.00 0.00 177.10 174.84 2k4z n PRO 93 N 4.27 0.02 -0.16 0.43 -0.04 -1.26 -1.73 135.00 136.53 2k4z n PRO 93 Ca -0.19 0.37 0.08 0.00 -0.04 0.00 0.00 63.50 63.72 2k4z n PRO 93 Cb 0.51 -1.55 0.24 0.00 -0.04 0.00 0.00 33.50 32.66 2k4z n PRO 93 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k4z n ARG 94 N -1.59 1.88 -3.80 0.54 1.74 -1.26 -4.86 116.66 109.31 2k4z n ARG 94 Ca 0.02 -1.35 -0.12 0.00 -0.77 0.00 0.00 57.85 55.63 2k4z n ARG 94 Cb 0.11 -1.34 -0.09 0.00 -1.02 0.00 0.00 32.46 30.12 2k4z n ARG 94 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2k4z s ASP 95 N -1.20 -0.09 -0.97 0.55 2.15 -0.70 -4.90 116.67 111.51 2k4z s ASP 95 Ca 0.29 -0.10 -0.30 0.00 0.43 0.00 0.00 52.55 52.87 2k4z s ASP 95 Cb 0.15 0.28 -0.21 0.00 -0.30 0.00 0.00 42.92 42.84 2k4z s ASP 95 CO 0.21 -0.47 2.61 -2.65 -0.17 0.00 0.00 175.17 174.70 2k4z n PRO 96 N 1.13 0.00 -3.70 4.34 -0.02 -1.26 -4.69 135.00 130.80 2k4z n PRO 96 Ca -0.21 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 60.93 2k4z n PRO 96 Cb 0.57 -1.45 -0.05 0.00 -0.02 0.00 0.00 33.50 32.55 2k4z n PRO 96 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2k4z s THR 97 N 8.61 5.22 -0.62 3.45 2.01 -1.26 -4.94 115.64 128.10 2k4z s THR 97 Ca 1.32 0.20 -0.26 0.00 0.31 0.00 0.00 61.69 63.25 2k4z s THR 97 Cb -1.22 -3.60 0.04 0.00 0.01 0.00 0.00 72.50 67.73 2k4z s THR 97 CO 0.48 0.27 1.13 -0.31 -0.69 0.00 0.00 174.62 175.49 2k4z s TYR 98 N -1.41 2.58 -0.38 4.92 2.02 -1.26 -4.99 117.35 118.84 2k4z s TYR 98 Ca 0.32 0.11 -0.08 0.00 -0.37 0.00 0.00 57.07 57.06 2k4z s TYR 98 Cb -0.13 -4.41 0.06 0.00 -0.40 0.00 0.00 41.96 37.08 2k4z s TYR 98 CO 0.19 -1.65 0.18 1.03 -1.57 0.00 0.00 175.55 173.73 2k4z s ARG 99 N 4.81 2.58 0.11 -0.62 0.52 -1.26 -5.08 118.95 120.01 2k4z s ARG 99 Ca 0.36 -1.34 -0.31 0.00 -0.52 0.00 0.00 55.73 53.93 2k4z s ARG 99 Cb -0.10 -3.62 -0.08 0.00 0.52 0.00 0.00 34.95 31.68 2k4z s ARG 99 CO 0.20 -0.82 1.37 -2.14 0.02 0.00 0.00 175.30 173.93 2k4z s PRO 100 N 1.40 4.33 0.00 3.54 0.02 -1.26 -4.90 135.00 138.14 2k4z s PRO 100 Ca 0.01 2.04 0.07 0.00 0.02 0.00 0.00 61.00 63.15 2k4z s PRO 100 Cb -0.21 -3.25 0.31 0.00 0.02 0.00 0.00 34.50 31.36 2k4z s PRO 100 CO 0.02 -0.41 1.21 -2.30 -0.33 0.00 0.00 177.00 175.19 2k4z n PRO 101 N 3.88 0.01 0.22 5.54 -0.02 -1.26 -1.43 135.00 141.95 2k4z n PRO 101 Ca 0.11 0.36 0.15 0.00 -2.02 0.00 0.00 63.50 62.10 2k4z n PRO 101 Cb 0.43 -1.50 0.57 0.00 -0.02 0.00 0.00 33.50 32.98 2k4z n PRO 101 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2k4z h SER 102 N 0.00 0.00 0.00 2.55 0.02 -2.05 -3.47 113.55 110.60 2k4z h SER 102 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k4z h SER 102 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2k4z h SER 102 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2k4z n GLY 103 N 0.20 2.03 0.00 -3.77 0.00 -0.52 -5.31 105.19 97.82 2k4z n GLY 103 Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2k4z n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93