#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4z n GLY -19 N 0.00 4.85 3.68 3.03 0.00 -1.26 -5.13 105.19 110.35 2k4z n GLY -19 Ca 0.00 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 2k4z n GLY -19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k4z s SER -18 N 0.20 6.47 0.27 1.61 0.01 -1.26 -4.94 113.70 116.06 2k4z s SER -18 Ca 0.00 0.55 -0.15 0.00 1.31 0.00 0.00 55.95 57.67 2k4z s SER -18 Cb 0.00 -2.24 0.01 0.00 0.21 0.00 0.00 66.02 64.00 2k4z s SER -18 CO 0.00 -0.07 0.56 -0.44 0.41 0.00 0.00 173.24 173.70 2k4z s SER -17 N 1.00 -0.08 0.08 2.44 0.01 -1.26 -5.03 113.70 110.86 2k4z s SER -17 Ca 0.20 -0.88 -0.12 0.00 1.31 0.00 0.00 55.95 56.46 2k4z s SER -17 Cb -0.15 0.64 -0.21 0.00 0.21 0.00 0.00 66.02 66.51 2k4z s SER -17 CO 0.08 -1.24 1.20 -0.74 0.41 0.00 0.00 173.24 172.95 2k4z h HIS -16 N 2.16 0.94 -0.00 2.43 2.76 -2.04 -3.14 115.15 118.26 2k4z h HIS -16 Ca -0.24 -0.53 0.00 0.00 -2.20 0.00 0.00 60.37 57.40 2k4z h HIS -16 Cb 1.25 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 30.11 2k4z h HIS -16 CO 0.51 1.37 -0.11 1.58 -1.30 0.00 0.00 177.93 179.98 2k4z n HIS -15 N -3.81 0.00 -3.91 5.26 -0.00 -1.26 -4.69 115.22 106.81 2k4z n HIS -15 Ca -0.11 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.72 2k4z n HIS -15 Cb 0.90 -0.17 -0.14 0.00 -0.12 0.00 0.00 29.99 30.46 2k4z n HIS -15 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2k4z s HIS -14 N -2.45 3.16 -0.18 1.57 0.09 -1.19 -5.09 115.29 111.20 2k4z s HIS -14 Ca 0.30 -1.60 -0.07 0.00 -0.00 0.00 0.00 55.06 53.68 2k4z s HIS -14 Cb 0.20 -2.11 -0.04 0.00 -0.00 0.00 0.00 32.58 30.63 2k4z s HIS -14 CO 0.47 -0.74 0.06 -1.01 -0.00 0.00 0.00 174.74 173.52 2k4z s HIS -13 N 1.32 3.26 0.09 1.40 4.02 -1.26 -4.00 115.29 120.12 2k4z s HIS -13 Ca -0.02 0.09 -0.04 0.00 1.02 0.00 0.00 55.06 56.12 2k4z s HIS -13 Cb -0.18 -2.07 -0.05 0.00 -1.02 0.00 0.00 32.58 29.26 2k4z s HIS -13 CO -0.02 0.17 0.30 -1.01 1.02 0.00 0.00 174.74 175.20 2k4z s HIS -12 N 0.32 3.51 0.13 1.40 3.76 -1.26 -5.11 115.29 118.04 2k4z s HIS -12 Ca 0.03 0.46 0.02 0.00 -0.15 0.00 0.00 55.06 55.43 2k4z s HIS -12 Cb -0.12 -1.92 -0.04 0.00 1.11 0.00 0.00 32.58 31.60 2k4z s HIS -12 CO 0.00 0.52 -0.05 -3.38 -0.85 0.00 0.00 174.74 170.97 2k4z s HIS -11 N -1.54 1.04 -0.20 1.40 -0.00 -1.26 -5.14 115.29 109.58 2k4z s HIS -11 Ca 0.37 -0.92 -0.03 0.00 -0.00 0.00 0.00 55.06 54.48 2k4z s HIS -11 Cb -0.13 -0.58 -0.01 0.00 -0.00 0.00 0.00 32.58 31.87 2k4z s HIS -11 CO 0.24 -0.13 -0.07 0.45 -0.00 0.00 0.00 174.74 175.23 2k4z s SER -10 N -3.10 4.16 -0.01 7.38 0.15 -1.26 -4.96 113.70 116.07 2k4z s SER -10 Ca 0.16 -0.40 0.18 0.00 0.70 0.00 0.00 55.95 56.59 2k4z s SER -10 Cb 0.05 -1.70 0.53 0.00 -1.71 0.00 0.00 66.02 63.19 2k4z s SER -10 CO -0.02 0.02 1.44 -1.20 1.20 0.00 0.00 173.24 174.68 2k4z n SER -9 N 4.55 3.24 -4.18 5.45 7.64 -1.26 -4.89 113.62 124.17 2k4z n SER -9 Ca -0.18 -2.03 -0.11 0.00 1.01 0.00 0.00 58.87 57.55 2k4z n SER -9 Cb 0.51 -0.41 -0.10 0.00 -1.01 0.00 0.00 64.21 63.20 2k4z n SER -9 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2k4z s GLY -8 N -0.98 0.82 -0.27 0.23 0.00 -1.26 -5.12 107.32 100.72 2k4z s GLY -8 Ca 0.40 -1.37 -0.21 0.00 0.00 0.00 0.00 44.72 43.54 2k4z s GLY -8 CO 0.26 -1.47 0.67 1.08 0.00 0.00 0.00 173.10 173.64 2k4z s LEU -7 N -3.04 4.09 0.29 0.66 1.43 -1.26 -4.94 118.68 115.90 2k4z s LEU -7 Ca 0.12 0.66 0.09 0.00 -1.03 0.00 0.00 54.13 53.97 2k4z s LEU -7 Cb 0.05 -2.91 0.43 0.00 0.03 0.00 0.00 46.19 43.79 2k4z s LEU -7 CO -0.04 -0.45 1.67 -0.37 0.23 0.00 0.00 176.35 177.39 2k4z h VAL -6 N 5.47 1.36 -3.32 -1.59 -1.51 -2.00 -3.42 116.25 111.25 2k4z h VAL -6 Ca -0.26 -1.76 -0.53 0.00 -1.23 0.00 0.00 66.70 62.92 2k4z h VAL -6 Cb 1.11 1.90 0.02 0.00 -2.13 0.00 0.00 31.29 32.20 2k4z h VAL -6 CO 0.81 0.51 0.62 -2.16 -1.23 0.00 0.00 177.57 176.12 2k4z s PRO -5 N -3.90 4.41 0.21 5.19 0.04 -1.26 -4.94 135.00 134.75 2k4z s PRO -5 Ca -0.03 1.96 0.06 0.00 0.04 0.00 0.00 61.00 63.03 2k4z s PRO -5 Cb 0.13 -3.24 0.15 0.00 0.04 0.00 0.00 34.50 31.58 2k4z s PRO -5 CO 0.77 -0.24 1.48 0.00 0.04 0.00 0.00 177.00 179.05 2k4z h ARG -4 N 5.80 0.14 0.00 4.56 3.08 -2.04 -3.46 114.38 122.45 2k4z h ARG -4 Ca -0.44 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.49 2k4z h ARG -4 Cb 1.21 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.29 2k4z h ARG -4 CO 0.79 0.81 0.00 0.41 -1.07 0.00 0.00 179.97 180.91 2k4z n GLY -3 N 0.57 1.39 3.21 0.04 0.00 -1.26 -4.76 105.19 104.37 2k4z n GLY -3 Ca -0.02 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 0.20 0.24 1.61 0.01 -1.26 -5.05 113.70 109.45 2k4z s SER -2 Ca 0.00 -0.86 -0.05 0.00 1.31 0.00 0.00 55.95 56.34 2k4z s SER -2 Cb 0.00 0.33 0.25 0.00 0.21 0.00 0.00 66.02 66.80 2k4z s SER -2 CO 0.00 -0.74 1.79 -0.74 0.41 0.00 0.00 173.24 173.95 2k4z h HIS -1 N 2.80 1.08 -3.42 2.43 2.76 -1.98 -3.45 115.15 115.36 2k4z h HIS -1 Ca -0.34 -0.10 -0.38 0.00 -2.20 0.00 0.00 60.37 57.36 2k4z h HIS -1 Cb 1.19 -0.32 -0.14 0.00 1.55 0.00 0.00 27.41 29.69 2k4z h HIS -1 CO 0.44 0.85 -0.63 -1.64 -1.30 0.00 0.00 177.93 175.65 2k4z s MET 0 N -5.38 1.40 -0.00 5.26 -1.94 -1.26 -5.05 119.30 112.32 2k4z s MET 0 Ca -0.11 -1.74 0.16 0.00 -1.71 0.00 0.00 55.69 52.28 2k4z s MET 0 Cb 0.15 -0.51 0.45 0.00 2.01 0.00 0.00 34.83 36.93 2k4z s MET 0 CO 0.83 -0.18 1.38 -1.33 -0.01 0.00 0.00 175.02 175.70 2k4z n MET 1 N -0.47 2.84 -1.97 2.03 2.81 -1.26 -4.95 117.12 116.15 2k4z n MET 1 Ca -0.03 -2.33 -0.42 0.00 -1.81 0.00 0.00 57.70 53.11 2k4z n MET 1 Cb 0.65 -1.41 -0.03 0.00 -0.71 0.00 0.00 33.22 31.72 2k4z n MET 1 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 2k4z s PHE 2 N -1.04 2.41 -0.23 2.03 5.36 -1.26 -3.83 117.98 121.43 2k4z s PHE 2 Ca 0.34 0.35 0.01 0.00 -0.96 0.00 0.00 56.93 56.67 2k4z s PHE 2 Cb 0.18 -3.93 0.04 0.00 -0.34 0.00 0.00 43.02 38.97 2k4z s PHE 2 CO 0.23 -3.73 -0.12 0.15 -1.46 0.00 0.00 175.22 170.29 2k4z s LYS 3 N 2.77 2.69 -0.26 10.12 1.02 -0.42 -4.97 119.74 130.69 2k4z s LYS 3 Ca 0.73 -1.06 -0.07 0.00 0.02 0.00 0.00 55.97 55.59 2k4z s LYS 3 Cb -0.38 -2.83 -0.02 0.00 -0.52 0.00 0.00 37.83 34.08 2k4z s LYS 3 CO 0.31 -0.40 0.06 -1.17 -0.92 0.00 0.00 175.35 173.24 2k4z s LEU 4 N 1.24 3.51 0.33 3.17 0.20 -1.26 0.36 118.68 126.23 2k4z s LEU 4 Ca -0.01 -0.36 -0.29 0.00 0.69 0.00 0.00 54.13 54.16 2k4z s LEU 4 Cb -0.17 -1.90 -0.10 0.00 -0.43 0.00 0.00 46.19 43.59 2k4z s LEU 4 CO -0.07 -0.08 1.31 0.42 -0.29 0.00 0.00 176.35 177.64 2k4z s THR 5 N 1.57 2.71 0.56 3.68 -4.23 -0.86 -4.83 115.64 114.24 2k4z s THR 5 Ca 0.05 0.71 0.26 0.00 -1.18 0.00 0.00 61.69 61.53 2k4z s THR 5 Cb -0.16 -3.45 0.36 0.00 1.34 0.00 0.00 72.50 70.59 2k4z s THR 5 CO 0.03 0.17 2.06 -0.65 -0.54 0.00 0.00 174.62 175.69 2k4z h PRO 6 N 3.40 0.00 -0.11 3.99 0.11 -1.94 0.24 132.00 137.69 2k4z h PRO 6 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2k4z h PRO 6 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2k4z h PRO 6 CO 0.66 0.00 0.02 0.00 -0.21 0.00 0.00 178.00 178.47 2k4z h ALA 7 N 1.77 0.15 -0.04 -0.75 0.00 -1.97 -2.10 119.26 116.32 2k4z h ALA 7 Ca 0.13 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 2k4z h ALA 7 Cb 0.63 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2k4z h ALA 7 CO -0.00 -0.20 -0.67 0.00 0.00 0.00 0.00 179.25 178.38 2k4z h ALA 8 N 0.80 0.81 -0.89 0.00 0.00 -1.60 -3.05 119.26 115.33 2k4z h ALA 8 Ca 0.03 -0.59 0.07 0.00 0.00 0.00 0.00 54.91 54.42 2k4z h ALA 8 Cb 0.28 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 2k4z h ALA 8 CO 0.00 0.79 0.58 0.00 0.00 0.00 0.00 179.25 180.61 2k4z h ALA 9 N 1.19 1.55 -0.71 0.00 0.00 -0.43 -0.68 119.26 120.18 2k4z h ALA 9 Ca -0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2k4z h ALA 9 Cb 1.19 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2k4z h ALA 9 CO 0.10 0.31 0.30 1.49 0.00 0.00 0.00 179.25 181.44 2k4z h GLU 10 N 0.98 1.04 -0.54 0.00 4.81 -1.27 0.89 114.58 120.50 2k4z h GLU 10 Ca 0.39 -0.18 -0.12 0.00 -0.13 0.00 0.00 59.36 59.32 2k4z h GLU 10 Cb 0.24 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2k4z h GLU 10 CO -0.15 0.85 -0.12 0.37 -0.73 0.00 0.00 179.01 179.23 2k4z h GLN 11 N 1.00 1.03 -0.35 1.92 4.15 -1.30 0.40 115.11 121.97 2k4z h GLN 11 Ca 0.24 -0.39 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 2k4z h GLN 11 Cb 0.19 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 2k4z h GLN 11 CO -0.02 1.08 0.16 0.28 -1.93 0.00 0.00 178.83 178.40 2k4z h VAL 12 N 0.91 1.17 -0.95 2.39 2.07 -0.91 0.11 116.25 121.04 2k4z h VAL 12 Ca 0.14 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 2k4z h VAL 12 Cb 0.70 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 2k4z h VAL 12 CO 0.05 0.18 0.59 0.25 0.02 0.00 0.00 177.57 178.66 2k4z h LEU 13 N 0.43 1.12 -0.66 2.57 5.85 -0.50 -1.79 115.31 122.33 2k4z h LEU 13 Ca 0.12 -0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 2k4z h LEU 13 Cb 0.13 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2k4z h LEU 13 CO -0.01 0.85 -0.21 0.50 -0.34 0.00 0.00 178.44 179.22 2k4z h LYS 14 N 1.30 0.83 -0.58 1.25 3.64 0.20 0.26 116.57 123.47 2k4z h LYS 14 Ca 0.34 -0.33 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 2k4z h LYS 14 Cb -0.09 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 2k4z h LYS 14 CO -0.07 0.96 0.10 0.00 -2.27 0.00 0.00 179.45 178.18 2k4z h ALA 15 N 1.04 1.10 -0.21 5.00 0.00 -0.42 -0.62 119.26 125.14 2k4z h ALA 15 Ca 0.10 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 2k4z h ALA 15 Cb 0.73 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k4z h ALA 15 CO 0.06 0.59 -0.55 0.00 0.00 0.00 0.00 179.25 179.35 2k4z h ALA 16 N 1.24 0.64 0.00 0.00 0.00 -1.00 -2.94 119.26 117.20 2k4z h ALA 16 Ca 0.18 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2k4z h ALA 16 Cb 0.37 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2k4z h ALA 16 CO 0.01 0.69 -0.08 -0.22 0.00 0.00 0.00 179.25 179.65 2k4z h LYS 17 N 0.49 0.00 0.00 0.00 3.64 0.10 -0.90 116.57 119.90 2k4z h LYS 17 Ca 0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2k4z h LYS 17 Cb 1.11 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2k4z h LYS 17 CO 0.11 0.08 -0.03 1.96 -2.27 0.00 0.00 179.45 179.30 2k4z h GLN 18 N 0.00 0.00 0.00 1.90 4.20 -0.93 -3.48 115.11 116.79 2k4z h GLN 18 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k4z h GLN 18 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2k4z h GLN 18 CO 0.01 0.03 0.00 0.41 -0.67 0.00 0.00 178.83 178.61 2k4z n GLY 19 N -0.38 3.47 4.06 3.46 0.00 -0.35 -5.03 105.19 110.42 2k4z n GLY 19 Ca -0.01 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.29 1.79 1.79 -0.02 0.00 -1.26 -4.40 105.19 101.81 2k4z n GLY 20 Ca 0.00 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 2.74 0.10 2.61 -2.24 -1.26 -4.56 114.28 111.67 2k4z n THR 21 Ca 0.00 -1.47 -0.13 0.00 -2.27 0.00 0.00 64.05 60.18 2k4z n THR 21 Cb 0.00 -0.28 -0.08 0.00 -2.10 0.00 0.00 70.33 67.87 2k4z n THR 21 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2k4z h GLU 22 N 3.74 -0.21 -0.01 -0.78 4.81 -1.75 -3.02 114.58 117.37 2k4z h GLU 22 Ca 0.01 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2k4z h GLU 22 Cb 1.94 0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.37 2k4z h GLU 22 CO 0.47 0.02 -0.11 0.41 -0.73 0.00 0.00 179.01 179.07 2k4z n GLY 23 N -0.66 -0.51 3.86 1.92 0.00 -1.26 -4.87 105.19 103.66 2k4z n GLY 23 Ca -0.09 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.28 3.90 0.21 1.61 -1.94 -1.14 -5.07 119.30 114.59 2k4z s MET 24 Ca 0.32 0.64 -0.08 0.00 -1.71 0.00 0.00 55.69 54.87 2k4z s MET 24 Cb 0.20 -2.35 -0.06 0.00 2.01 0.00 0.00 34.83 34.62 2k4z s MET 24 CO 0.43 -0.01 0.50 0.00 -0.01 0.00 0.00 175.02 175.93 2k4z s LEU 26 N -2.85 4.05 -0.07 0.00 2.96 -1.08 -3.11 118.68 118.57 2k4z s LEU 26 Ca 0.45 1.42 0.05 0.00 -0.22 0.00 0.00 54.13 55.82 2k4z s LEU 26 Cb -0.11 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.02 2k4z s LEU 26 CO 0.23 -0.86 -0.21 -0.60 -1.32 0.00 0.00 176.35 173.59 2k4z s ARG 27 N 3.68 2.71 -0.09 1.98 3.52 0.83 -0.21 118.95 131.38 2k4z s ARG 27 Ca 0.52 -0.84 -0.01 0.00 -0.13 0.00 0.00 55.73 55.28 2k4z s ARG 27 Cb -0.18 -2.28 -0.03 0.00 -1.56 0.00 0.00 34.95 30.90 2k4z s ARG 27 CO 0.16 0.38 -0.03 -0.51 -0.81 0.00 0.00 175.30 174.48 2k4z s LEU 28 N -0.13 3.36 0.09 -0.88 1.43 -1.21 -2.22 118.68 119.12 2k4z s LEU 28 Ca -0.04 0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.17 2k4z s LEU 28 Cb -0.14 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 2k4z s LEU 28 CO 0.04 0.35 -0.06 0.00 0.23 0.00 0.00 176.35 176.91 2k4z s ALA 29 N -0.72 3.10 -0.06 4.21 0.00 0.48 -4.73 121.76 124.04 2k4z s ALA 29 Ca 0.11 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.90 2k4z s ALA 29 Cb -0.11 -1.03 0.02 0.00 0.00 0.00 0.00 23.12 22.00 2k4z s ALA 29 CO 0.02 0.67 -0.05 0.00 0.00 0.00 0.00 175.76 176.39 2k4z s ALA 30 N -1.25 0.81 0.38 0.00 0.00 -1.26 -0.01 121.76 120.43 2k4z s ALA 30 Ca 0.23 -0.15 0.04 0.00 0.00 0.00 0.00 51.96 52.08 2k4z s ALA 30 Cb -0.11 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.44 2k4z s ALA 30 CO 0.15 -0.09 0.06 0.20 0.00 0.00 0.00 175.76 176.09 2k4z s GLY 31 N 1.08 2.41 -0.01 0.00 0.00 0.51 -4.89 107.32 106.42 2k4z s GLY 31 Ca -0.08 -1.62 -0.00 0.00 0.00 0.00 0.00 44.72 43.01 2k4z s GLY 31 CO -0.01 -1.91 0.01 0.50 0.00 0.00 0.00 173.10 171.69 2k4z s ARG 32 N -3.82 -0.01 -0.65 2.90 0.52 -1.26 -0.11 118.95 116.53 2k4z s ARG 32 Ca 0.28 0.05 -0.18 0.00 -0.52 0.00 0.00 55.73 55.36 2k4z s ARG 32 Cb 0.06 -0.06 0.12 0.00 0.52 0.00 0.00 34.95 35.60 2k4z s ARG 32 CO 0.14 -0.04 0.73 -0.80 0.02 0.00 0.00 175.30 175.34 2k4z s ASN 33 N 0.25 6.30 -0.70 0.23 0.01 0.16 -4.95 114.94 116.25 2k4z s ASN 33 Ca -0.02 -1.70 -0.27 0.00 -0.71 0.00 0.00 52.86 50.16 2k4z s ASN 33 Cb -0.03 -2.29 -0.17 0.00 0.41 0.00 0.00 41.25 39.17 2k4z s ASN 33 CO -0.01 -1.01 2.02 -2.65 -1.51 0.00 0.00 177.10 173.95 2k4z n PRO 34 N 5.91 0.00 -2.92 -0.60 -0.02 -1.26 -1.74 135.00 134.36 2k4z n PRO 34 Ca -0.04 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.34 2k4z n PRO 34 Cb 0.43 -1.18 0.01 0.00 -0.02 0.00 0.00 33.50 32.74 2k4z n PRO 34 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2k4z n ASP 35 N 7.71 -7.62 0.00 2.55 2.03 -1.26 -4.88 116.55 115.08 2k4z n ASP 35 Ca 0.50 0.62 0.00 0.00 0.52 0.00 0.00 54.79 56.43 2k4z n ASP 35 Cb 0.01 -4.77 0.00 0.00 -0.72 0.00 0.00 41.12 35.64 2k4z n ASP 35 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k4z n GLY 36 N -0.02 -0.27 3.46 0.27 0.00 -0.71 -5.12 105.19 102.80 2k4z n GLY 36 Ca 0.07 0.17 -0.05 0.00 0.00 0.00 0.00 46.02 46.21 2k4z n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k4z s SER 37 N 0.00 -0.71 0.06 1.61 0.01 -1.10 -4.77 113.70 108.79 2k4z s SER 37 Ca 0.00 1.28 -0.15 0.00 1.31 0.00 0.00 55.95 58.38 2k4z s SER 37 Cb 0.00 1.71 -0.06 0.00 0.21 0.00 0.00 66.02 67.88 2k4z s SER 37 CO 0.00 -0.22 0.48 -0.63 0.41 0.00 0.00 173.24 173.27 2k4z s ILE 38 N 2.55 4.92 -0.08 1.44 1.01 -1.26 0.40 121.20 130.19 2k4z s ILE 38 Ca -0.05 0.91 0.00 0.00 0.00 0.00 0.00 60.65 61.51 2k4z s ILE 38 Cb -0.11 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 2k4z s ILE 38 CO -0.16 0.48 -0.07 -1.81 0.00 0.00 0.00 174.94 173.38 2k4z s ASP 39 N -1.28 4.64 -0.18 3.58 1.01 0.85 -4.95 116.67 120.34 2k4z s ASP 39 Ca 0.29 -0.04 -0.00 0.00 0.71 0.00 0.00 52.55 53.51 2k4z s ASP 39 Cb -0.17 -1.22 0.04 0.00 1.01 0.00 0.00 42.92 42.58 2k4z s ASP 39 CO 0.17 0.34 -0.05 -0.31 0.21 0.00 0.00 175.17 175.53 2k4z s TYR 40 N -0.70 1.75 -0.10 4.23 2.02 -1.26 -0.36 117.35 122.93 2k4z s TYR 40 Ca 0.11 -1.16 -0.01 0.00 -0.37 0.00 0.00 57.07 55.64 2k4z s TYR 40 Cb -0.11 -1.33 -0.03 0.00 -0.40 0.00 0.00 41.96 40.09 2k4z s TYR 40 CO 0.02 -0.64 -0.07 0.50 -1.57 0.00 0.00 175.55 173.79 2k4z s ARG 41 N 1.62 3.12 -0.13 -0.62 3.52 0.98 -4.96 118.95 122.47 2k4z s ARG 41 Ca -0.00 -0.55 -0.04 0.00 -0.13 0.00 0.00 55.73 55.01 2k4z s ARG 41 Cb -0.16 -2.70 -0.03 0.00 -1.56 0.00 0.00 34.95 30.50 2k4z s ARG 41 CO -0.08 0.48 -0.00 1.41 -0.81 0.00 0.00 175.30 176.30 2k4z s MET 42 N -0.31 3.43 0.14 5.12 -2.45 -1.26 -0.38 119.30 123.59 2k4z s MET 42 Ca 0.04 -0.44 -0.24 0.00 -1.25 0.00 0.00 55.69 53.81 2k4z s MET 42 Cb -0.13 -2.92 0.08 0.00 1.25 0.00 0.00 34.83 33.12 2k4z s MET 42 CO 0.02 0.45 1.08 0.20 1.05 0.00 0.00 175.02 177.82 2k4z s GLY 43 N -0.19 0.03 -0.19 2.11 0.00 -0.94 -5.00 107.32 103.14 2k4z s GLY 43 Ca 0.05 -0.20 -0.05 0.00 0.00 0.00 0.00 44.72 44.51 2k4z s GLY 43 CO 0.02 2.63 0.00 -1.36 0.00 0.00 0.00 173.10 174.39 2k4z s PHE 44 N -2.24 3.07 0.04 1.90 0.40 -1.26 -0.12 117.98 119.77 2k4z s PHE 44 Ca 0.22 -0.31 0.01 0.00 -0.60 0.00 0.00 56.93 56.25 2k4z s PHE 44 Cb -0.02 -2.05 -0.00 0.00 0.51 0.00 0.00 43.02 41.46 2k4z s PHE 44 CO 0.04 -0.11 0.04 -3.47 0.70 0.00 0.00 175.22 172.41 2k4z n ASP 45 N 3.93 -0.09 -4.67 1.36 2.03 -1.18 -4.91 116.55 113.02 2k4z n ASP 45 Ca -0.17 -1.27 -0.43 0.00 0.52 0.00 0.00 54.79 53.45 2k4z n ASP 45 Cb 0.52 0.21 -0.02 0.00 -0.72 0.00 0.00 41.12 41.11 2k4z n ASP 45 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2k4z s ASP 46 N -1.29 6.99 -0.53 1.67 2.15 -1.26 -4.30 116.67 120.10 2k4z s ASP 46 Ca 0.05 1.71 -0.28 0.00 0.43 0.00 0.00 52.55 54.46 2k4z s ASP 46 Cb 0.00 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 40.09 2k4z s ASP 46 CO 0.03 -0.69 1.46 -0.22 -0.17 0.00 0.00 175.17 175.58 2k4z s LEU 47 N 3.04 3.43 0.48 -1.34 0.20 -1.26 -4.99 118.68 118.24 2k4z s LEU 47 Ca 0.54 0.44 0.08 0.00 0.69 0.00 0.00 54.13 55.88 2k4z s LEU 47 Cb -0.22 -3.13 0.04 0.00 -0.43 0.00 0.00 46.19 42.45 2k4z s LEU 47 CO 0.17 -1.71 0.66 0.42 -0.29 0.00 0.00 176.35 175.60 2k4z s THR 48 N 6.20 2.71 -1.40 3.68 -4.23 -1.26 -4.99 115.64 116.35 2k4z s THR 48 Ca 0.56 -0.96 0.30 0.00 -1.18 0.00 0.00 61.69 60.41 2k4z s THR 48 Cb -0.12 -2.75 0.50 0.00 1.34 0.00 0.00 72.50 71.47 2k4z s THR 48 CO 0.26 0.00 2.04 1.21 -0.54 0.00 0.00 174.62 177.59 2k4z n GLU 49 N -2.03 0.40 0.04 3.99 2.13 -1.26 -3.17 120.64 120.74 2k4z n GLU 49 Ca 0.10 -0.01 0.12 0.00 0.66 0.00 0.00 57.16 58.03 2k4z n GLU 49 Cb 0.60 -1.50 0.15 0.00 0.27 0.00 0.00 31.44 30.96 2k4z n GLU 49 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2k4z n ASP 50 N -1.29 0.63 -4.74 4.31 9.92 -1.26 -4.89 116.55 119.22 2k4z n ASP 50 Ca 0.14 -0.06 -0.40 0.00 -0.53 0.00 0.00 54.79 53.93 2k4z n ASP 50 Cb 0.25 0.36 -0.05 0.00 -0.64 0.00 0.00 41.12 41.04 2k4z n ASP 50 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 2k4z s ASP 51 N -3.84 7.36 0.07 -2.24 1.01 -1.19 -4.13 116.67 113.71 2k4z s ASP 51 Ca 0.07 1.62 -0.30 0.00 0.71 0.00 0.00 52.55 54.65 2k4z s ASP 51 Cb 0.15 -2.52 -0.05 0.00 1.01 0.00 0.00 42.92 41.50 2k4z s ASP 51 CO 0.74 0.03 1.08 -0.63 0.21 0.00 0.00 175.17 176.60 2k4z s ILE 52 N -0.28 4.34 -0.34 0.77 1.01 0.15 -4.69 121.20 122.15 2k4z s ILE 52 Ca 0.41 1.75 -0.13 0.00 0.00 0.00 0.00 60.65 62.68 2k4z s ILE 52 Cb -0.22 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.11 2k4z s ILE 52 CO 0.26 0.18 0.24 -0.13 0.00 0.00 0.00 174.94 175.49 2k4z s ARG 53 N 0.69 3.44 0.40 2.79 0.52 -1.26 -1.11 118.95 124.42 2k4z s ARG 53 Ca 0.54 -0.68 0.08 0.00 -0.52 0.00 0.00 55.73 55.14 2k4z s ARG 53 Cb -0.26 -3.81 -0.05 0.00 0.52 0.00 0.00 34.95 31.36 2k4z s ARG 53 CO 0.30 -0.47 0.18 -0.51 0.02 0.00 0.00 175.30 174.82 2k4z s LEU 54 N 1.71 3.16 -0.17 2.53 1.43 0.22 -4.97 118.68 122.59 2k4z s LEU 54 Ca 0.06 -1.00 -0.04 0.00 -1.03 0.00 0.00 54.13 52.12 2k4z s LEU 54 Cb -0.18 -1.54 0.08 0.00 0.03 0.00 0.00 46.19 44.59 2k4z s LEU 54 CO 0.10 -0.50 0.23 -0.89 0.23 0.00 0.00 176.35 175.53 2k4z s THR 55 N -2.56 -0.35 0.00 5.49 2.01 -1.26 -0.94 115.64 118.03 2k4z s THR 55 Ca 0.41 0.06 -0.25 0.00 0.31 0.00 0.00 61.69 62.22 2k4z s THR 55 Cb 0.02 -0.57 -0.16 0.00 0.01 0.00 0.00 72.50 71.80 2k4z s THR 55 CO 0.23 -0.07 1.15 0.77 -0.69 0.00 0.00 174.62 176.01 2k4z h SER 56 N 8.31 -0.43 0.00 3.53 4.64 -1.77 -3.48 113.55 124.35 2k4z h SER 56 Ca -0.16 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2k4z h SER 56 Cb 1.14 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2k4z h SER 56 CO 0.22 -0.05 0.00 1.21 -0.87 0.00 0.00 176.83 177.34 2k4z n GLU 57 N -5.17 0.00 0.00 4.77 2.13 -1.26 -4.94 120.64 116.17 2k4z n GLU 57 Ca -0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.72 2k4z n GLU 57 Cb 0.28 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.99 2k4z n GLU 57 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k4z n GLY 58 N 0.00 0.83 3.04 8.31 0.00 -1.26 -5.03 105.19 111.08 2k4z n GLY 58 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.84 1.12 0.15 1.61 1.01 -1.26 -4.98 120.40 117.22 2k4z s VAL 59 Ca 0.00 -0.50 -0.26 0.00 0.00 0.00 0.00 61.98 61.22 2k4z s VAL 59 Cb 0.00 -1.01 -0.08 0.00 0.00 0.00 0.00 36.38 35.30 2k4z s VAL 59 CO 0.00 0.34 0.81 -0.70 0.00 0.00 0.00 175.10 175.55 2k4z s GLU 60 N 0.44 4.60 -0.16 2.72 2.12 -1.26 -2.10 118.70 125.06 2k4z s GLU 60 Ca -0.10 1.20 0.00 0.00 0.36 0.00 0.00 54.97 56.44 2k4z s GLU 60 Cb -0.13 -3.29 0.03 0.00 0.26 0.00 0.00 34.13 31.00 2k4z s GLU 60 CO 0.03 0.50 -0.12 0.42 -0.54 0.00 0.00 175.26 175.55 2k4z s ILE 61 N -0.93 1.52 -0.17 -3.70 1.01 -0.12 -2.63 121.20 116.19 2k4z s ILE 61 Ca 0.37 -0.68 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 2k4z s ILE 61 Cb -0.23 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 2k4z s ILE 61 CO 0.27 0.38 -0.04 0.68 0.00 0.00 0.00 174.94 176.22 2k4z s VAL 62 N 1.49 3.73 -0.06 2.92 -7.23 0.71 0.71 120.40 122.67 2k4z s VAL 62 Ca 0.04 -0.40 -0.01 0.00 -1.81 0.00 0.00 61.98 59.79 2k4z s VAL 62 Cb -0.14 -2.65 0.03 0.00 0.56 0.00 0.00 36.38 34.19 2k4z s VAL 62 CO -0.10 0.48 0.00 -0.63 -0.31 0.00 0.00 175.10 174.54 2k4z s ILE 63 N 0.62 0.33 0.50 -0.62 1.01 -0.26 -3.36 121.20 119.42 2k4z s ILE 63 Ca -0.03 0.13 -0.23 0.00 0.00 0.00 0.00 60.65 60.53 2k4z s ILE 63 Cb -0.14 -0.49 -0.06 0.00 0.01 0.00 0.00 42.46 41.78 2k4z s ILE 63 CO 0.02 0.25 1.30 0.00 0.00 0.00 0.00 174.94 176.51 2k4z s ALA 64 N 1.88 2.95 0.40 9.38 0.00 -1.26 0.33 121.76 135.43 2k4z s ALA 64 Ca 0.03 1.21 0.20 0.00 0.00 0.00 0.00 51.96 53.41 2k4z s ALA 64 Cb -0.12 -3.50 1.16 0.00 0.00 0.00 0.00 23.12 20.66 2k4z s ALA 64 CO -0.05 -1.08 1.73 -1.35 0.00 0.00 0.00 175.76 175.02 2k4z h PRO 65 N 1.85 0.32 -0.46 0.00 0.11 -1.97 0.92 132.00 132.77 2k4z h PRO 65 Ca -0.50 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.68 2k4z h PRO 65 Cb 1.28 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 2k4z h PRO 65 CO 0.59 0.21 -0.05 -0.44 -0.21 0.00 0.00 178.00 178.10 2k4z h ASP 66 N 0.33 -0.30 1.14 -2.05 5.19 -1.95 -2.50 116.42 116.28 2k4z h ASP 66 Ca 0.65 0.12 -0.11 0.00 -0.62 0.00 0.00 57.03 57.07 2k4z h ASP 66 Cb 1.73 0.24 -0.02 0.00 0.18 0.00 0.00 39.33 41.46 2k4z h ASP 66 CO -0.34 -0.11 -0.90 1.88 -3.12 0.00 0.00 179.24 176.65 2k4z h TYR 67 N 0.06 0.00 -0.65 4.55 0.05 -1.20 -3.27 116.97 116.52 2k4z h TYR 67 Ca 0.23 0.00 0.10 0.00 0.05 0.00 0.00 58.73 59.11 2k4z h TYR 67 Cb 0.35 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.05 2k4z h TYR 67 CO -0.34 0.46 0.43 0.28 -1.05 0.00 0.00 178.16 177.93 2k4z h VAL 68 N 0.00 0.90 -0.96 -2.88 2.07 -0.87 -0.58 116.25 113.93 2k4z h VAL 68 Ca -0.07 -0.16 0.14 0.00 0.82 0.00 0.00 66.70 67.43 2k4z h VAL 68 Cb 1.41 0.39 -0.09 0.00 -1.52 0.00 0.00 31.29 31.48 2k4z h VAL 68 CO 0.05 0.09 0.57 0.28 0.02 0.00 0.00 177.57 178.58 2k4z h SER 69 N 0.47 0.79 0.15 0.57 0.02 -1.57 -2.94 113.55 111.05 2k4z h SER 69 Ca 0.30 0.07 -0.35 0.00 -0.84 0.00 0.00 61.79 60.97 2k4z h SER 69 Cb 0.54 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.94 2k4z h SER 69 CO -0.09 0.38 -2.17 0.18 -1.14 0.00 0.00 176.83 173.98 2k4z n LEU 70 N -4.72 1.08 -2.00 5.07 4.77 -0.74 -4.49 117.00 115.97 2k4z n LEU 70 Ca 0.19 0.11 -0.14 0.00 -0.03 0.00 0.00 56.01 56.14 2k4z n LEU 70 Cb 0.41 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 2k4z n LEU 70 CO 0.25 0.59 1.39 0.18 -1.33 0.00 0.00 177.39 178.47 2k4z n LEU 71 N -3.01 5.86 -4.07 2.23 4.77 -0.30 -4.78 117.00 117.70 2k4z n LEU 71 Ca -0.31 -3.28 -0.14 0.00 -0.03 0.00 0.00 56.01 52.25 2k4z n LEU 71 Cb 1.09 -1.23 -0.12 0.00 -2.33 0.00 0.00 43.42 40.83 2k4z n LEU 71 CO 0.40 1.46 -0.41 -0.62 -1.33 0.00 0.00 177.39 176.89 2k4z s ASP 72 N 1.16 0.98 0.00 -1.43 2.15 -1.24 -4.61 116.67 113.68 2k4z s ASP 72 Ca 0.43 -0.52 0.00 0.00 0.43 0.00 0.00 52.55 52.89 2k4z s ASP 72 Cb 0.25 0.01 0.00 0.00 -0.30 0.00 0.00 42.92 42.88 2k4z s ASP 72 CO -0.06 -0.16 0.00 1.67 -0.17 0.00 0.00 175.17 176.45 2k4z n GLN 73 N 1.57 0.00 -2.62 4.34 -0.06 -1.25 -4.84 117.38 114.51 2k4z n GLN 73 Ca -0.22 0.00 -0.37 0.00 -2.00 0.00 0.00 57.00 54.41 2k4z n GLN 73 Cb 0.55 -1.77 -0.05 0.00 -4.06 0.00 0.00 30.24 24.91 2k4z n GLN 73 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 2k4z s THR 74 N -1.22 3.88 -0.12 1.69 -4.23 -1.26 -4.78 115.64 109.61 2k4z s THR 74 Ca 0.00 1.52 0.00 0.00 -1.18 0.00 0.00 61.69 62.04 2k4z s THR 74 Cb 0.00 -3.83 -0.02 0.00 1.34 0.00 0.00 72.50 69.99 2k4z s THR 74 CO 0.00 0.09 -0.12 -0.89 -0.54 0.00 0.00 174.62 173.16 2k4z s THR 75 N -1.59 3.15 -0.20 3.99 2.01 -1.20 -1.30 115.64 120.50 2k4z s THR 75 Ca 0.54 -0.64 -0.03 0.00 0.31 0.00 0.00 61.69 61.87 2k4z s THR 75 Cb -0.22 -2.31 -0.01 0.00 0.01 0.00 0.00 72.50 69.97 2k4z s THR 75 CO 0.28 0.54 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.46 2k4z s LEU 76 N 0.11 2.85 0.02 4.42 0.20 0.16 -0.55 118.68 125.89 2k4z s LEU 76 Ca -0.06 -0.38 -0.09 0.00 0.69 0.00 0.00 54.13 54.30 2k4z s LEU 76 Cb -0.15 -1.70 0.00 0.00 -0.43 0.00 0.00 46.19 43.91 2k4z s LEU 76 CO 0.04 0.03 0.19 -0.62 -0.29 0.00 0.00 176.35 175.70 2k4z s ASP 77 N 1.19 0.01 -0.25 3.68 2.15 -0.97 -2.03 116.67 120.45 2k4z s ASP 77 Ca 0.02 -0.28 -0.10 0.00 0.43 0.00 0.00 52.55 52.62 2k4z s ASP 77 Cb -0.14 0.26 -0.04 0.00 -0.30 0.00 0.00 42.92 42.69 2k4z s ASP 77 CO -0.02 -0.49 0.14 -0.72 -0.17 0.00 0.00 175.17 173.91 2k4z s TYR 78 N -2.10 3.24 0.04 -5.34 1.13 -1.26 -0.24 117.35 112.81 2k4z s TYR 78 Ca -0.09 0.06 0.04 0.00 -1.41 0.00 0.00 57.07 55.67 2k4z s TYR 78 Cb -0.03 -2.27 -0.02 0.00 -1.10 0.00 0.00 41.96 38.53 2k4z s TYR 78 CO -0.01 -0.07 -0.11 0.14 -2.51 0.00 0.00 175.55 172.99 2k4z s VAL 79 N 1.27 0.88 -0.77 -3.49 -7.23 0.11 -4.92 120.40 106.26 2k4z s VAL 79 Ca 0.07 -0.95 -0.23 0.00 -1.81 0.00 0.00 61.98 59.06 2k4z s VAL 79 Cb -0.14 -0.83 0.07 0.00 0.56 0.00 0.00 36.38 36.04 2k4z s VAL 79 CO 0.06 -0.10 1.10 -0.70 -0.31 0.00 0.00 175.10 175.16 2k4z s GLU 80 N -1.17 3.28 0.20 4.82 2.12 -1.26 0.14 118.70 126.83 2k4z s GLU 80 Ca -0.01 -0.95 0.02 0.00 0.36 0.00 0.00 54.97 54.38 2k4z s GLU 80 Cb -0.08 -4.49 0.14 0.00 0.26 0.00 0.00 34.13 29.97 2k4z s GLU 80 CO 0.01 -1.91 1.49 -0.07 -0.54 0.00 0.00 175.26 174.24 2k4z h LEU 81 N 11.60 0.36 -7.65 2.70 3.38 -1.89 -3.44 115.31 120.37 2k4z h LEU 81 Ca -0.14 -0.22 -0.33 0.00 0.09 0.00 0.00 57.88 57.27 2k4z h LEU 81 Cb 1.05 -0.10 -0.33 0.00 0.09 0.00 0.00 40.66 41.37 2k4z h LEU 81 CO 1.21 0.93 -0.75 -1.61 0.09 0.00 0.00 178.44 178.32 2k4z s GLU 82 N -3.64 0.30 -0.40 1.13 2.02 -1.25 -5.08 118.70 111.78 2k4z s GLU 82 Ca -0.05 0.04 -0.39 0.00 0.02 0.00 0.00 54.97 54.60 2k4z s GLU 82 Cb 0.11 -0.45 -0.14 0.00 0.10 0.00 0.00 34.13 33.75 2k4z s GLU 82 CO 0.82 -0.10 2.14 -2.30 0.02 0.00 0.00 175.26 175.84 2k4z n PRO 83 N 3.95 0.70 0.00 0.39 -0.02 -1.26 -0.20 135.00 138.56 2k4z n PRO 83 Ca -0.25 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2k4z n PRO 83 Cb 0.52 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 6.70 1.65 3.19 -1.23 0.00 -1.26 -5.06 105.19 109.18 2k4z n GLY 84 Ca 0.45 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.10 2.44 -0.27 1.61 -0.21 0.73 -5.07 119.66 118.78 2k4z s GLN 85 Ca 0.00 -1.29 -0.21 0.00 0.02 0.00 0.00 55.36 53.88 2k4z s GLN 85 Cb 0.00 -3.28 -0.01 0.00 1.00 0.00 0.00 33.01 30.72 2k4z s GLN 85 CO 0.00 -0.67 0.67 -0.06 -2.12 0.00 0.00 175.29 173.12 2k4z s PHE 86 N 1.28 3.26 -0.13 0.91 0.08 -1.26 -3.31 117.98 118.81 2k4z s PHE 86 Ca -0.03 0.81 -0.01 0.00 0.12 0.00 0.00 56.93 57.82 2k4z s PHE 86 Cb -0.20 -2.94 -0.02 0.00 -0.57 0.00 0.00 43.02 39.29 2k4z s PHE 86 CO -0.00 -0.39 -0.09 -1.01 -0.10 0.00 0.00 175.22 173.62 2k4z s HIS 87 N 2.62 2.90 -0.16 0.36 3.76 0.12 -4.89 115.29 120.00 2k4z s HIS 87 Ca 0.28 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.49 2k4z s HIS 87 Cb -0.15 -1.85 -0.01 0.00 1.11 0.00 0.00 32.58 31.67 2k4z s HIS 87 CO 0.09 -0.05 1.17 -0.06 -0.85 0.00 0.00 174.74 175.05 2k4z s PHE 88 N 0.13 3.08 -0.03 1.40 0.08 -1.26 -0.71 117.98 120.67 2k4z s PHE 88 Ca -0.04 1.21 0.01 0.00 0.12 0.00 0.00 56.93 58.22 2k4z s PHE 88 Cb -0.14 -3.41 -0.03 0.00 -0.57 0.00 0.00 43.02 38.87 2k4z s PHE 88 CO 0.04 -1.21 -0.02 0.96 -0.10 0.00 0.00 175.22 174.89 2k4z s ILE 89 N 3.08 4.07 -0.30 0.64 -4.36 0.66 -4.95 121.20 120.04 2k4z s ILE 89 Ca 0.52 -0.52 -0.03 0.00 -0.26 0.00 0.00 60.65 60.36 2k4z s ILE 89 Cb -0.20 -2.76 0.04 0.00 1.25 0.00 0.00 42.46 40.79 2k4z s ILE 89 CO 0.14 0.47 0.01 -0.36 0.24 0.00 0.00 174.94 175.44 2k4z s PHE 90 N -0.99 3.24 -0.97 1.37 0.40 -1.25 -2.30 117.98 117.48 2k4z s PHE 90 Ca 0.17 -1.72 -0.24 0.00 -0.60 0.00 0.00 56.93 54.53 2k4z s PHE 90 Cb -0.11 -2.14 -0.06 0.00 0.51 0.00 0.00 43.02 41.22 2k4z s PHE 90 CO 0.07 -0.77 1.95 -0.51 0.70 0.00 0.00 175.22 176.65 2k4z s LEU 91 N 1.30 3.14 -0.24 -0.37 1.43 0.28 -4.85 118.68 119.38 2k4z s LEU 91 Ca -0.04 -0.90 -0.00 0.00 -1.03 0.00 0.00 54.13 52.16 2k4z s LEU 91 Cb -0.19 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 43.49 2k4z s LEU 91 CO -0.01 -2.83 -0.10 0.21 0.23 0.00 0.00 176.35 173.86 2k4z s ASN 92 N 7.68 4.11 0.03 2.29 2.47 -1.26 -3.26 114.94 127.01 2k4z s ASN 92 Ca 0.70 -0.94 0.28 0.00 0.42 0.00 0.00 52.86 53.32 2k4z s ASN 92 Cb -0.05 -1.60 1.01 0.00 -1.45 0.00 0.00 41.25 39.15 2k4z s ASN 92 CO 0.03 -0.12 1.79 -0.81 -3.72 0.00 0.00 177.10 174.27 2k4z n PRO 93 N 4.61 0.05 -0.01 0.43 -0.04 -1.26 -4.05 135.00 134.72 2k4z n PRO 93 Ca -0.17 0.03 -0.10 0.00 -0.04 0.00 0.00 63.50 63.23 2k4z n PRO 93 Cb 0.47 -1.55 -0.08 0.00 -0.04 0.00 0.00 33.50 32.29 2k4z n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k4z h ARG 94 N 0.00 -0.08 -5.84 0.54 3.08 -1.99 -3.46 114.38 106.63 2k4z h ARG 94 Ca 0.00 0.01 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 2k4z h ARG 94 Cb 0.54 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.56 2k4z h ARG 94 CO 0.00 0.46 -0.45 0.34 -1.07 0.00 0.00 179.97 179.25 2k4z s ASP 95 N -5.76 6.42 -0.99 7.04 2.15 -1.26 -4.99 116.67 119.29 2k4z s ASP 95 Ca -0.12 0.44 -0.27 0.00 0.43 0.00 0.00 52.55 53.03 2k4z s ASP 95 Cb -0.01 -2.04 -0.24 0.00 -0.30 0.00 0.00 42.92 40.33 2k4z s ASP 95 CO 0.46 0.27 2.05 -2.65 -0.17 0.00 0.00 175.17 175.13 2k4z n PRO 96 N 1.07 0.26 -0.09 4.34 -0.02 -1.26 -4.52 135.00 134.78 2k4z n PRO 96 Ca -0.11 -1.72 -0.14 0.00 -2.02 0.00 0.00 63.50 59.50 2k4z n PRO 96 Cb 0.53 -3.78 -0.07 0.00 -0.02 0.00 0.00 33.50 30.16 2k4z n PRO 96 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2k4z n THR 97 N 8.75 1.48 -3.87 3.45 -1.04 -1.26 -4.75 114.28 117.05 2k4z n THR 97 Ca 0.42 0.07 -0.34 0.00 -2.04 0.00 0.00 64.05 62.16 2k4z n THR 97 Cb 0.46 -2.20 -0.13 0.00 -1.82 0.00 0.00 70.33 66.65 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 -2.32 3.65 0.17 -1.42 2.02 -1.26 -5.10 117.35 113.08 2k4z s TYR 98 Ca -0.23 -2.65 0.00 0.00 -0.37 0.00 0.00 57.07 53.83 2k4z s TYR 98 Cb 0.04 -3.12 -0.04 0.00 -0.40 0.00 0.00 41.96 38.45 2k4z s TYR 98 CO 0.42 -0.96 0.33 -0.98 -1.57 0.00 0.00 175.55 172.80 2k4z s ARG 99 N 1.02 3.49 0.29 -0.62 1.70 -1.26 -5.04 118.95 118.53 2k4z s ARG 99 Ca 0.09 -0.43 -0.30 0.00 -0.47 0.00 0.00 55.73 54.62 2k4z s ARG 99 Cb -0.21 -2.91 -0.12 0.00 -0.57 0.00 0.00 34.95 31.14 2k4z s ARG 99 CO -0.06 0.47 1.44 -0.35 -1.08 0.00 0.00 175.30 175.73 2k4z n PRO 100 N -0.49 2.32 0.00 3.89 -0.04 -1.26 -5.01 135.00 134.41 2k4z n PRO 100 Ca -0.05 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 2k4z n PRO 100 Cb 0.53 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 2k4z n PRO 100 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2k4z n PRO 101 N 1.55 -0.81 -1.67 0.54 -0.04 -1.26 -4.85 135.00 128.46 2k4z n PRO 101 Ca 0.08 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.12 2k4z n PRO 101 Cb 0.35 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.78 2k4z n PRO 101 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2k4z s SER 102 N -1.58 5.36 -0.01 3.54 1.04 -1.26 -4.75 113.70 116.04 2k4z s SER 102 Ca 0.00 1.64 0.01 0.00 0.48 0.00 0.00 55.95 58.09 2k4z s SER 102 Cb 0.00 -2.51 0.02 0.00 0.10 0.00 0.00 66.02 63.63 2k4z s SER 102 CO 0.00 -2.07 0.82 0.61 0.98 0.00 0.00 173.24 173.58 2k4z n GLY 103 N 5.75 0.68 0.56 7.32 0.00 -1.26 -5.34 105.19 112.89 2k4z n GLY 103 Ca 0.30 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.36 2k4z n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93