#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 3.95 0.08 3.03 0.00 -1.26 -5.07 105.19 105.93 2k4z n GLY -19 Ca 0.00 -1.66 -0.14 0.00 0.00 0.00 0.00 46.02 44.22 2k4z n GLY -19 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2k4z h SER -18 N 0.09 0.14 -3.07 1.61 0.02 -2.10 -3.42 113.55 106.83 2k4z h SER -18 Ca -0.01 -0.59 -0.57 0.00 -0.84 0.00 0.00 61.79 59.79 2k4z h SER -18 Cb 0.05 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 2k4z h SER -18 CO 0.02 0.70 1.09 -0.44 -1.14 0.00 0.00 176.83 177.05 2k4z s SER -17 N -5.97 6.36 -0.29 3.07 0.01 -1.26 -4.98 113.70 110.64 2k4z s SER -17 Ca -0.16 1.13 -0.10 0.00 1.31 0.00 0.00 55.95 58.14 2k4z s SER -17 Cb 0.02 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 2k4z s SER -17 CO 0.71 -1.35 0.15 -2.28 0.41 0.00 0.00 173.24 170.88 2k4z s HIS -16 N 5.33 3.17 0.09 2.43 5.65 -1.26 -5.08 115.29 125.63 2k4z s HIS -16 Ca 0.65 -0.26 0.07 0.00 0.25 0.00 0.00 55.06 55.77 2k4z s HIS -16 Cb -0.18 -2.35 -0.03 0.00 -1.18 0.00 0.00 32.58 28.84 2k4z s HIS -16 CO 0.30 -0.32 -0.19 -1.01 -0.65 0.00 0.00 174.74 172.86 2k4z s HIS -15 N 1.68 1.67 0.15 3.88 0.09 -1.26 -5.03 115.29 116.47 2k4z s HIS -15 Ca 0.06 -0.42 -0.06 0.00 -0.00 0.00 0.00 55.06 54.64 2k4z s HIS -15 Cb -0.16 -0.92 -0.00 0.00 -0.00 0.00 0.00 32.58 31.49 2k4z s HIS -15 CO 0.08 0.17 1.41 1.25 -0.00 0.00 0.00 174.74 177.64 2k4z h HIS -14 N 4.18 0.77 -3.12 1.40 6.17 -2.04 -3.39 115.15 119.11 2k4z h HIS -14 Ca -0.45 -0.32 -0.57 0.00 0.71 0.00 0.00 60.37 59.74 2k4z h HIS -14 Cb 1.18 -0.12 -0.05 0.00 2.52 0.00 0.00 27.41 30.94 2k4z h HIS -14 CO 0.61 1.10 0.93 -1.01 0.71 0.00 0.00 177.93 180.27 2k4z s HIS -13 N -3.76 2.82 -1.04 5.26 4.02 -1.26 -4.89 115.29 116.45 2k4z s HIS -13 Ca -0.08 0.98 0.27 0.00 1.02 0.00 0.00 55.06 57.25 2k4z s HIS -13 Cb 0.10 -3.77 1.17 0.00 -1.02 0.00 0.00 32.58 29.06 2k4z s HIS -13 CO 0.86 -1.50 1.87 0.72 1.02 0.00 0.00 174.74 177.71 2k4z n HIS -12 N 7.24 0.00 -3.33 1.40 8.25 -1.26 -4.32 115.22 123.20 2k4z n HIS -12 Ca 0.14 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.48 2k4z n HIS -12 Cb 0.46 -0.48 -0.07 0.00 1.12 0.00 0.00 29.99 31.03 2k4z n HIS -12 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k4z s HIS -11 N -2.96 -0.76 0.43 4.41 5.65 -1.26 -5.10 115.29 115.69 2k4z s HIS -11 Ca 0.14 -0.12 -0.25 0.00 0.25 0.00 0.00 55.06 55.09 2k4z s HIS -11 Cb 0.18 -0.24 -0.08 0.00 -1.18 0.00 0.00 32.58 31.25 2k4z s HIS -11 CO 0.48 -0.99 1.27 -1.12 -0.65 0.00 0.00 174.74 173.74 2k4z s SER -10 N 2.12 6.20 -0.03 9.88 0.01 -1.26 -4.95 113.70 125.67 2k4z s SER -10 Ca 0.12 2.58 0.09 0.00 1.31 0.00 0.00 55.95 60.05 2k4z s SER -10 Cb -0.13 -2.63 -0.24 0.00 0.21 0.00 0.00 66.02 63.24 2k4z s SER -10 CO -0.21 -0.92 0.70 0.28 0.41 0.00 0.00 173.24 173.51 2k4z h SER -9 N 2.45 0.08 0.00 2.44 0.02 -1.98 -3.48 113.55 113.08 2k4z h SER -9 Ca -0.50 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.30 2k4z h SER -9 Cb 1.25 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2k4z h SER -9 CO 0.62 1.14 0.00 0.61 -1.14 0.00 0.00 176.83 178.05 2k4z n GLY -8 N 1.60 -0.36 5.26 -3.77 0.00 -1.26 -4.93 105.19 101.73 2k4z n GLY -8 Ca -0.17 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2k4z n GLY -8 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k4z n LEU -7 N 0.00 0.00 0.04 0.99 7.94 -1.23 -3.45 117.00 121.29 2k4z n LEU -7 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 2k4z n LEU -7 Cb 0.00 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 43.95 2k4z n LEU -7 CO 0.00 0.00 -0.08 0.52 -1.11 0.00 0.00 177.39 176.72 2k4z n VAL -6 N 0.00 1.15 -0.06 1.96 0.31 -1.26 -4.79 118.33 115.64 2k4z n VAL -6 Ca 0.00 0.36 0.16 0.00 -0.01 0.00 0.00 64.34 64.85 2k4z n VAL -6 Cb 0.00 -1.62 0.58 0.00 -0.91 0.00 0.00 33.84 31.89 2k4z n VAL -6 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2k4z h PRO -5 N -0.05 0.24 -4.45 5.55 0.11 -1.98 -3.43 132.00 127.99 2k4z h PRO -5 Ca -0.00 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.90 2k4z h PRO -5 Cb 0.13 -0.05 -0.15 0.00 0.11 0.00 0.00 31.00 31.04 2k4z h PRO -5 CO -0.00 0.16 -0.65 -0.98 -0.21 0.00 0.00 178.00 176.32 2k4z s ARG -4 N -5.25 0.93 0.00 1.05 1.70 -1.25 -5.08 118.95 111.05 2k4z s ARG -4 Ca -0.07 -1.44 0.00 0.00 -0.47 0.00 0.00 55.73 53.75 2k4z s ARG -4 Cb 0.20 0.21 0.00 0.00 -0.57 0.00 0.00 34.95 34.79 2k4z s ARG -4 CO 0.74 -0.25 0.00 0.41 -1.08 0.00 0.00 175.30 175.12 2k4z n GLY -3 N -0.10 2.93 3.92 3.88 0.00 -1.26 -3.57 105.19 110.99 2k4z n GLY -3 Ca -0.06 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 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 1.27 6.39 0.53 1.61 0.01 -1.26 -4.95 113.70 117.30 2k4z s SER -2 Ca 0.00 0.56 0.32 0.00 1.31 0.00 0.00 55.95 58.15 2k4z s SER -2 Cb 0.00 -2.08 1.23 0.00 0.21 0.00 0.00 66.02 65.38 2k4z s SER -2 CO 0.00 -0.17 1.94 0.45 0.41 0.00 0.00 173.24 175.86 2k4z h HIS -1 N 1.57 0.00 -3.55 2.43 -0.00 -1.98 -3.45 115.15 110.17 2k4z h HIS -1 Ca -0.48 0.00 -0.30 0.00 -0.00 0.00 0.00 60.37 59.59 2k4z h HIS -1 Cb 1.20 0.00 -0.15 0.00 -0.00 0.00 0.00 27.41 28.46 2k4z h HIS -1 CO 0.55 0.00 -0.70 -1.64 -0.00 0.00 0.00 177.93 176.15 2k4z s MET 0 N -3.61 1.04 -1.04 2.45 -1.94 -1.26 -5.08 119.30 109.86 2k4z s MET 0 Ca 0.02 -1.46 -0.18 0.00 -1.71 0.00 0.00 55.69 52.36 2k4z s MET 0 Cb 0.08 -0.46 0.12 0.00 2.01 0.00 0.00 34.83 36.59 2k4z s MET 0 CO 0.56 0.00 1.31 -1.64 -0.01 0.00 0.00 175.02 175.24 2k4z s MET 1 N -3.81 3.75 -0.26 2.03 1.00 -1.26 -4.95 119.30 115.81 2k4z s MET 1 Ca 0.18 -1.87 0.01 0.00 0.00 0.00 0.00 55.69 54.00 2k4z s MET 1 Cb 0.04 -5.08 0.07 0.00 0.00 0.00 0.00 34.83 29.86 2k4z s MET 1 CO 0.00 -1.89 -0.02 0.12 0.00 0.00 0.00 175.02 173.24 2k4z s PHE 2 N 2.93 2.45 -0.71 -0.03 5.36 -1.26 -2.52 117.98 124.19 2k4z s PHE 2 Ca 0.39 -1.89 -0.21 0.00 -0.96 0.00 0.00 56.93 54.26 2k4z s PHE 2 Cb -0.03 -1.75 0.09 0.00 -0.34 0.00 0.00 43.02 40.99 2k4z s PHE 2 CO -0.06 -0.81 0.98 0.15 -1.46 0.00 0.00 175.22 174.02 2k4z s LYS 3 N 1.37 3.20 -0.54 10.12 1.02 -0.29 -4.98 119.74 129.65 2k4z s LYS 3 Ca -0.02 -1.06 -0.19 0.00 0.02 0.00 0.00 55.97 54.71 2k4z s LYS 3 Cb -0.19 -4.38 0.07 0.00 -0.52 0.00 0.00 37.83 32.81 2k4z s LYS 3 CO -0.09 -1.79 0.67 -1.17 -0.92 0.00 0.00 175.35 172.06 2k4z s LEU 4 N 3.68 5.03 0.45 3.17 0.20 -1.26 0.17 118.68 130.12 2k4z s LEU 4 Ca 0.23 -1.04 -0.25 0.00 0.69 0.00 0.00 54.13 53.76 2k4z s LEU 4 Cb -0.15 -2.42 -0.08 0.00 -0.43 0.00 0.00 46.19 43.11 2k4z s LEU 4 CO 0.06 -0.99 1.35 0.42 -0.29 0.00 0.00 176.35 176.90 2k4z s THR 5 N 2.74 2.36 0.57 3.68 -4.23 -0.93 -4.68 115.64 115.16 2k4z s THR 5 Ca 0.15 0.31 0.27 0.00 -1.18 0.00 0.00 61.69 61.24 2k4z s THR 5 Cb -0.20 -3.18 0.36 0.00 1.34 0.00 0.00 72.50 70.82 2k4z s THR 5 CO 0.10 0.03 2.05 1.55 -0.54 0.00 0.00 174.62 177.82 2k4z h PRO 6 N 2.30 0.00 -0.15 3.99 0.13 -1.96 0.17 132.00 136.47 2k4z h PRO 6 Ca -0.50 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 2k4z h PRO 6 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 2k4z h PRO 6 CO 0.61 0.00 -0.15 0.00 -0.23 0.00 0.00 178.00 178.23 2k4z h ALA 7 N 1.73 0.22 0.00 -0.56 0.00 -1.96 -3.04 119.26 115.65 2k4z h ALA 7 Ca 0.13 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2k4z h ALA 7 Cb 0.66 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2k4z h ALA 7 CO -0.00 0.10 -0.45 0.00 0.00 0.00 0.00 179.25 178.90 2k4z h ALA 8 N 0.61 1.23 -0.97 0.00 0.00 -1.51 -2.89 119.26 115.74 2k4z h ALA 8 Ca 0.02 -0.41 0.09 0.00 0.00 0.00 0.00 54.91 54.61 2k4z h ALA 8 Cb 0.68 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 2k4z h ALA 8 CO 0.04 0.56 0.62 0.00 0.00 0.00 0.00 179.25 180.47 2k4z h ALA 9 N 1.55 1.50 -0.25 0.00 0.00 -0.65 -1.06 119.26 120.36 2k4z h ALA 9 Ca -0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2k4z h ALA 9 Cb 0.80 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2k4z h ALA 9 CO 0.06 0.32 -0.27 0.93 0.00 0.00 0.00 179.25 180.30 2k4z h GLU 10 N 1.05 0.48 -0.41 0.00 5.08 -1.40 0.15 114.58 119.53 2k4z h GLU 10 Ca 0.44 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.49 2k4z h GLU 10 Cb 0.30 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2k4z h GLU 10 CO -0.19 0.71 -0.21 0.37 -1.00 0.00 0.00 179.01 178.68 2k4z h GLN 11 N 0.42 0.86 -0.32 2.33 5.75 -1.27 0.38 115.11 123.27 2k4z h GLN 11 Ca 0.06 -0.38 -0.08 0.00 -0.15 0.00 0.00 58.65 58.10 2k4z h GLN 11 Cb 0.69 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.21 2k4z h GLN 11 CO 0.05 1.03 -0.11 0.28 -2.65 0.00 0.00 178.83 177.43 2k4z h VAL 12 N 0.68 1.29 -0.63 2.39 2.07 -1.10 -2.10 116.25 118.85 2k4z h VAL 12 Ca 0.09 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 2k4z h VAL 12 Cb 0.78 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 2k4z h VAL 12 CO 0.06 0.38 0.26 0.25 0.02 0.00 0.00 177.57 178.55 2k4z h LEU 13 N 0.41 0.84 -0.79 2.57 5.85 -0.57 -1.63 115.31 121.99 2k4z h LEU 13 Ca 0.08 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 2k4z h LEU 13 Cb 0.62 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2k4z h LEU 13 CO 0.04 0.74 0.20 0.50 -0.34 0.00 0.00 178.44 179.58 2k4z h LYS 14 N 0.91 1.11 -0.53 1.25 3.64 -0.07 0.91 116.57 123.80 2k4z h LYS 14 Ca 0.22 -0.25 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 2k4z h LYS 14 Cb 0.16 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2k4z h LYS 14 CO -0.02 0.96 -0.01 0.00 -2.27 0.00 0.00 179.45 178.11 2k4z h ALA 15 N 1.15 0.71 0.00 5.00 0.00 -0.95 -1.82 119.26 123.36 2k4z h ALA 15 Ca 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k4z h ALA 15 Cb 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2k4z h ALA 15 CO -0.00 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.78 2k4z h ALA 16 N 0.95 1.00 0.00 0.00 0.00 -0.88 -2.27 119.26 118.05 2k4z h ALA 16 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.84 2k4z h ALA 16 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2k4z h ALA 16 CO 0.03 0.00 -1.12 -0.22 0.00 0.00 0.00 179.25 177.94 2k4z h LYS 17 N 0.00 0.00 -0.11 0.00 3.64 -0.16 -3.34 116.57 116.60 2k4z h LYS 17 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2k4z h LYS 17 Cb 0.45 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2k4z h LYS 17 CO 0.00 0.83 0.06 1.96 -2.27 0.00 0.00 179.45 180.03 2k4z h GLN 18 N 0.00 0.15 0.00 1.90 4.20 -0.73 -3.49 115.11 117.14 2k4z h GLN 18 Ca -0.07 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2k4z h GLN 18 Cb 1.78 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.53 2k4z h GLN 18 CO 0.11 0.16 0.00 0.41 -0.67 0.00 0.00 178.83 178.84 2k4z n GLY 19 N -0.96 3.89 5.00 3.46 0.00 -1.22 -5.03 105.19 110.33 2k4z n GLY 19 Ca -0.05 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.98 1.38 0.66 -0.02 0.00 -1.26 -4.43 105.19 99.54 2k4z n GLY 20 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 0.54 0.20 2.61 -2.24 -1.26 -4.37 114.28 109.76 2k4z n THR 21 Ca 0.00 -0.33 -0.09 0.00 -2.27 0.00 0.00 64.05 61.36 2k4z n THR 21 Cb 0.00 -0.20 -0.04 0.00 -2.10 0.00 0.00 70.33 67.99 2k4z n THR 21 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2k4z h GLU 22 N 1.11 -0.53 -1.22 -0.78 5.08 -1.78 -2.99 114.58 113.48 2k4z h GLU 22 Ca 0.00 0.04 -0.41 0.00 -1.00 0.00 0.00 59.36 57.99 2k4z h GLU 22 Cb 0.63 0.12 -0.19 0.00 0.50 0.00 0.00 28.75 29.81 2k4z h GLU 22 CO 0.08 -0.35 0.52 0.41 -1.00 0.00 0.00 179.01 178.67 2k4z n GLY 23 N -1.28 4.32 3.68 -3.84 0.00 -1.26 -4.90 105.19 101.91 2k4z n GLY 23 Ca -0.07 -1.22 -0.26 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.37 2.44 -0.08 1.61 -1.94 -1.13 -4.86 119.30 112.97 2k4z s MET 24 Ca 0.41 -1.13 -0.05 0.00 -1.71 0.00 0.00 55.69 53.21 2k4z s MET 24 Cb 0.33 -2.36 -0.04 0.00 2.01 0.00 0.00 34.83 34.77 2k4z s MET 24 CO 0.02 0.44 0.14 0.00 -0.01 0.00 0.00 175.02 175.62 2k4z s LEU 26 N -1.35 4.27 0.06 0.00 2.96 -0.14 0.03 118.68 124.51 2k4z s LEU 26 Ca 0.19 1.74 0.09 0.00 -0.22 0.00 0.00 54.13 55.93 2k4z s LEU 26 Cb -0.12 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 2k4z s LEU 26 CO 0.09 -0.54 -0.25 -0.60 -1.32 0.00 0.00 176.35 173.73 2k4z s ARG 27 N 2.12 1.59 -0.08 1.98 3.52 0.88 -0.30 118.95 128.66 2k4z s ARG 27 Ca 0.54 -1.11 0.01 0.00 -0.13 0.00 0.00 55.73 55.03 2k4z s ARG 27 Cb -0.23 -1.81 -0.03 0.00 -1.56 0.00 0.00 34.95 31.32 2k4z s ARG 27 CO 0.21 0.46 -0.09 -0.51 -0.81 0.00 0.00 175.30 174.56 2k4z s LEU 28 N -1.41 3.03 -0.19 -0.88 1.43 -1.23 -1.68 118.68 117.75 2k4z s LEU 28 Ca 0.11 -0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 53.08 2k4z s LEU 28 Cb -0.10 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 2k4z s LEU 28 CO 0.03 0.32 -0.08 0.00 0.23 0.00 0.00 176.35 176.85 2k4z s ALA 29 N -0.59 2.73 -0.39 4.21 0.00 0.54 -4.83 121.76 123.44 2k4z s ALA 29 Ca 0.09 -1.07 -0.15 0.00 0.00 0.00 0.00 51.96 50.82 2k4z s ALA 29 Cb -0.12 -1.51 0.01 0.00 0.00 0.00 0.00 23.12 21.50 2k4z s ALA 29 CO 0.02 -0.20 0.31 0.00 0.00 0.00 0.00 175.76 175.90 2k4z s ALA 30 N 1.08 3.48 -0.82 0.00 0.00 -1.26 -0.88 121.76 123.35 2k4z s ALA 30 Ca 0.01 -1.57 -0.01 0.00 0.00 0.00 0.00 51.96 50.38 2k4z s ALA 30 Cb -0.15 -2.86 0.20 0.00 0.00 0.00 0.00 23.12 20.32 2k4z s ALA 30 CO -0.01 -1.34 0.69 0.20 0.00 0.00 0.00 175.76 175.29 2k4z s GLY 31 N 1.71 2.96 -0.03 0.00 0.00 0.58 -4.97 107.32 107.56 2k4z s GLY 31 Ca 0.07 -3.73 -0.29 0.00 0.00 0.00 0.00 44.72 40.77 2k4z s GLY 31 CO 0.11 1.16 0.95 -1.60 0.00 0.00 0.00 173.10 173.72 2k4z s ARG 32 N -1.12 4.52 0.22 2.90 3.52 -1.26 -0.56 118.95 127.16 2k4z s ARG 32 Ca 0.25 1.34 -0.30 0.00 -0.13 0.00 0.00 55.73 56.89 2k4z s ARG 32 Cb -0.09 -3.47 -0.08 0.00 -1.56 0.00 0.00 34.95 29.74 2k4z s ARG 32 CO -0.11 -0.08 1.10 -0.80 -0.81 0.00 0.00 175.30 174.59 2k4z s ASN 33 N 1.00 7.27 -0.65 -2.12 0.01 0.70 -4.90 114.94 116.25 2k4z s ASN 33 Ca 0.49 2.16 -0.27 0.00 -0.71 0.00 0.00 52.86 54.53 2k4z s ASN 33 Cb -0.20 -2.61 -0.12 0.00 0.41 0.00 0.00 41.25 38.73 2k4z s ASN 33 CO 0.25 -0.18 2.50 -2.65 -1.51 0.00 0.00 177.10 175.51 2k4z n PRO 34 N 1.88 0.71 -3.16 -0.60 -0.02 -1.26 -2.84 135.00 129.71 2k4z n PRO 34 Ca 0.01 -0.02 -0.16 0.00 -2.02 0.00 0.00 63.50 61.31 2k4z n PRO 34 Cb 0.46 -2.85 0.01 0.00 -0.02 0.00 0.00 33.50 31.10 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 14.30 -6.99 0.00 2.55 2.03 -1.26 -4.91 116.55 122.27 2k4z n ASP 35 Ca 0.46 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.86 2k4z n ASP 35 Cb 0.39 -4.05 0.00 0.00 -0.72 0.00 0.00 41.12 36.73 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 -0.70 -2.10 3.49 0.27 0.00 -1.13 -5.15 105.19 99.87 2k4z n GLY 36 Ca -0.00 0.65 -0.15 0.00 0.00 0.00 0.00 46.02 46.52 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 0.89 -0.60 -0.34 1.61 1.04 -1.25 -4.97 113.70 110.07 2k4z s SER 37 Ca 0.00 1.00 -0.23 0.00 0.48 0.00 0.00 55.95 57.21 2k4z s SER 37 Cb 0.00 0.99 0.00 0.00 0.10 0.00 0.00 66.02 67.11 2k4z s SER 37 CO 0.00 -0.33 0.75 -0.63 0.98 0.00 0.00 173.24 174.01 2k4z s ILE 38 N -0.21 4.79 -0.24 -1.02 1.01 -1.26 -0.21 121.20 124.06 2k4z s ILE 38 Ca -0.04 0.93 -0.20 0.00 0.00 0.00 0.00 60.65 61.34 2k4z s ILE 38 Cb -0.03 -4.16 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 2k4z s ILE 38 CO 0.03 -0.34 0.60 -0.62 0.00 0.00 0.00 174.94 174.61 2k4z s ASP 39 N 1.76 6.57 -0.12 3.58 2.15 0.28 -4.89 116.67 126.00 2k4z s ASP 39 Ca 0.30 0.70 -0.09 0.00 0.43 0.00 0.00 52.55 53.90 2k4z s ASP 39 Cb -0.14 -2.32 -0.04 0.00 -0.30 0.00 0.00 42.92 40.11 2k4z s ASP 39 CO 0.15 -0.31 0.18 -0.31 -0.17 0.00 0.00 175.17 174.70 2k4z s TYR 40 N 2.24 3.59 0.03 -5.34 2.02 -1.26 -0.31 117.35 118.32 2k4z s TYR 40 Ca 0.26 0.56 0.06 0.00 -0.37 0.00 0.00 57.07 57.58 2k4z s TYR 40 Cb -0.16 -2.03 -0.02 0.00 -0.40 0.00 0.00 41.96 39.36 2k4z s TYR 40 CO 0.09 0.65 -0.16 1.03 -1.57 0.00 0.00 175.55 175.59 2k4z s ARG 41 N -0.81 1.13 -0.04 -0.62 0.52 -0.06 -4.99 118.95 114.09 2k4z s ARG 41 Ca 0.15 -0.77 0.06 0.00 -0.52 0.00 0.00 55.73 54.65 2k4z s ARG 41 Cb -0.12 -1.16 -0.01 0.00 0.52 0.00 0.00 34.95 34.17 2k4z s ARG 41 CO 0.04 0.30 -0.22 1.41 0.02 0.00 0.00 175.30 176.85 2k4z s MET 42 N -0.99 2.08 -0.01 3.54 -2.45 -1.26 -0.33 119.30 119.87 2k4z s MET 42 Ca 0.04 -0.80 -0.29 0.00 -1.25 0.00 0.00 55.69 53.39 2k4z s MET 42 Cb -0.08 -1.87 0.10 0.00 1.25 0.00 0.00 34.83 34.24 2k4z s MET 42 CO 0.01 0.40 0.88 0.20 1.05 0.00 0.00 175.02 177.56 2k4z s GLY 43 N -0.28 -0.46 0.28 2.11 0.00 -0.67 -5.01 107.32 103.28 2k4z s GLY 43 Ca 0.02 1.07 -0.28 0.00 0.00 0.00 0.00 44.72 45.53 2k4z s GLY 43 CO 0.01 0.39 0.93 -1.36 0.00 0.00 0.00 173.10 173.08 2k4z s PHE 44 N -2.96 3.84 0.00 1.90 0.40 -1.26 -0.08 117.98 119.81 2k4z s PHE 44 Ca 0.04 1.84 0.00 0.00 -0.60 0.00 0.00 56.93 58.21 2k4z s PHE 44 Cb -0.01 -2.94 0.00 0.00 0.51 0.00 0.00 43.02 40.58 2k4z s PHE 44 CO -0.08 0.34 0.00 -3.47 0.70 0.00 0.00 175.22 172.71 2k4z n ASP 45 N 1.03 0.00 -4.78 1.36 2.03 0.10 -4.84 116.55 111.46 2k4z n ASP 45 Ca -0.00 -0.92 -0.38 0.00 0.52 0.00 0.00 54.79 54.01 2k4z n ASP 45 Cb 0.49 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.82 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 -0.83 7.38 -0.60 1.67 2.15 -1.26 -1.55 116.67 123.62 2k4z s ASP 46 Ca 0.00 1.76 -0.27 0.00 0.43 0.00 0.00 52.55 54.47 2k4z s ASP 46 Cb 0.00 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 40.06 2k4z s ASP 46 CO 0.00 0.06 1.83 -0.22 -0.17 0.00 0.00 175.17 176.67 2k4z s LEU 47 N -1.66 3.30 -0.20 -1.34 0.20 -1.26 -4.75 118.68 112.96 2k4z s LEU 47 Ca 0.44 0.35 -0.10 0.00 0.69 0.00 0.00 54.13 55.52 2k4z s LEU 47 Cb -0.21 -2.58 -0.05 0.00 -0.43 0.00 0.00 46.19 42.92 2k4z s LEU 47 CO 0.26 -2.32 0.12 -0.89 -0.29 0.00 0.00 176.35 173.23 2k4z s THR 48 N 8.84 5.30 -0.24 3.68 2.01 -1.26 -4.97 115.64 129.00 2k4z s THR 48 Ca 0.66 0.15 0.21 0.00 0.31 0.00 0.00 61.69 63.03 2k4z s THR 48 Cb -0.13 -3.42 0.03 0.00 0.01 0.00 0.00 72.50 68.99 2k4z s THR 48 CO 0.21 0.43 1.12 -0.33 -0.69 0.00 0.00 174.62 175.36 2k4z h GLU 49 N 6.80 0.00 -0.00 4.92 5.08 -2.01 -3.02 114.58 126.35 2k4z h GLU 49 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2k4z h GLU 49 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2k4z h GLU 49 CO 0.74 0.08 -0.00 -0.25 -1.00 0.00 0.00 179.01 178.57 2k4z n ASP 50 N -2.81 0.37 -4.94 1.42 9.92 -1.26 -4.79 116.55 114.47 2k4z n ASP 50 Ca -0.01 -1.12 -0.26 0.00 -0.53 0.00 0.00 54.79 52.88 2k4z n ASP 50 Cb 0.61 -0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.05 2k4z n ASP 50 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2k4z s ASP 51 N -2.01 6.28 -0.58 -2.24 -1.08 -1.14 -4.81 116.67 111.10 2k4z s ASP 51 Ca 0.45 0.14 -0.27 0.00 -0.52 0.00 0.00 52.55 52.35 2k4z s ASP 51 Cb 0.22 -1.87 0.00 0.00 -1.46 0.00 0.00 42.92 39.81 2k4z s ASP 51 CO 0.36 0.04 1.53 -0.63 0.52 0.00 0.00 175.17 177.00 2k4z s ILE 52 N -1.77 3.65 -0.02 4.11 1.01 -1.20 -4.88 121.20 122.10 2k4z s ILE 52 Ca 0.34 0.51 -0.25 0.00 0.00 0.00 0.00 60.65 61.26 2k4z s ILE 52 Cb -0.11 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 2k4z s ILE 52 CO 0.28 -1.13 0.77 -0.13 0.00 0.00 0.00 174.94 174.73 2k4z s ARG 53 N 5.91 4.48 0.16 2.79 0.52 -1.26 -1.36 118.95 130.19 2k4z s ARG 53 Ca 0.56 1.03 0.09 0.00 -0.52 0.00 0.00 55.73 56.89 2k4z s ARG 53 Cb -0.12 -3.42 -0.04 0.00 0.52 0.00 0.00 34.95 31.89 2k4z s ARG 53 CO 0.23 0.12 -0.20 -0.51 0.02 0.00 0.00 175.30 174.96 2k4z s LEU 54 N 0.54 2.42 -0.17 2.53 1.43 0.21 -4.40 118.68 121.24 2k4z s LEU 54 Ca 0.40 -0.84 -0.01 0.00 -1.03 0.00 0.00 54.13 52.65 2k4z s LEU 54 Cb -0.19 -0.93 0.05 0.00 0.03 0.00 0.00 46.19 45.15 2k4z s LEU 54 CO 0.21 0.02 -0.02 -0.89 0.23 0.00 0.00 176.35 175.91 2k4z s THR 55 N -1.82 0.89 0.00 5.49 2.01 -1.26 -0.16 115.64 120.78 2k4z s THR 55 Ca 0.16 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.57 2k4z s THR 55 Cb -0.07 -1.17 0.00 0.00 0.01 0.00 0.00 72.50 71.27 2k4z s THR 55 CO 0.07 0.01 0.00 -1.20 -0.69 0.00 0.00 174.62 172.82 2k4z n SER 56 N 4.94 0.00 -0.26 3.53 7.64 0.59 -4.91 113.62 125.14 2k4z n SER 56 Ca -0.10 -0.19 0.04 0.00 1.01 0.00 0.00 58.87 59.62 2k4z n SER 56 Cb 0.47 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.84 2k4z n SER 56 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2k4z h GLU 57 N 0.00 0.58 0.00 1.43 4.81 -1.97 -3.35 114.58 116.08 2k4z h GLU 57 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2k4z h GLU 57 Cb 0.00 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.25 2k4z h GLU 57 CO 0.00 0.38 -0.10 0.41 -0.73 0.00 0.00 179.01 178.97 2k4z n GLY 58 N -1.31 0.62 3.06 1.92 0.00 -1.26 -5.11 105.19 103.10 2k4z n GLY 58 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 0.80 -0.15 1.61 1.01 -1.26 -4.99 120.40 117.43 2k4z s VAL 59 Ca 0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 2k4z s VAL 59 Cb 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 2k4z s VAL 59 CO 0.00 0.10 0.08 -0.70 0.00 0.00 0.00 175.10 174.57 2k4z s GLU 60 N -0.58 3.65 -0.01 2.72 2.12 -1.26 -0.30 118.70 125.03 2k4z s GLU 60 Ca 0.02 -0.29 0.05 0.00 0.36 0.00 0.00 54.97 55.11 2k4z s GLU 60 Cb -0.05 -3.14 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 2k4z s GLU 60 CO 0.00 0.50 -0.16 0.42 -0.54 0.00 0.00 175.26 175.48 2k4z s ILE 61 N -0.27 2.91 -0.19 -3.70 -1.09 0.77 -0.97 121.20 118.67 2k4z s ILE 61 Ca 0.09 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.59 2k4z s ILE 61 Cb -0.12 -2.17 0.04 0.00 -1.58 0.00 0.00 42.46 38.64 2k4z s ILE 61 CO 0.01 0.49 -0.07 0.68 -1.23 0.00 0.00 174.94 174.82 2k4z s VAL 62 N -0.80 1.37 -0.30 2.92 -7.23 0.59 0.63 120.40 117.58 2k4z s VAL 62 Ca 0.13 -0.86 0.02 0.00 -1.81 0.00 0.00 61.98 59.46 2k4z s VAL 62 Cb -0.11 -1.52 0.09 0.00 0.56 0.00 0.00 36.38 35.40 2k4z s VAL 62 CO 0.02 0.11 0.02 -0.63 -0.31 0.00 0.00 175.10 174.32 2k4z s ILE 63 N 1.51 1.79 0.57 -0.62 1.01 -0.46 -3.56 121.20 121.44 2k4z s ILE 63 Ca -0.01 -1.81 -0.19 0.00 0.00 0.00 0.00 60.65 58.65 2k4z s ILE 63 Cb -0.16 -2.22 -0.07 0.00 0.01 0.00 0.00 42.46 40.02 2k4z s ILE 63 CO -0.08 -0.44 0.72 0.00 0.00 0.00 0.00 174.94 175.14 2k4z n ALA 64 N 4.50 -0.59 0.04 9.38 0.00 -1.26 -3.22 120.51 129.36 2k4z n ALA 64 Ca -0.03 0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.44 2k4z n ALA 64 Cb 0.42 -1.95 0.14 0.00 0.00 0.00 0.00 19.45 18.06 2k4z n ALA 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2k4z n PRO 65 N -0.40 0.03 0.01 0.00 -0.04 -1.26 -0.76 135.00 132.58 2k4z n PRO 65 Ca 0.12 0.51 -0.22 0.00 -0.04 0.00 0.00 63.50 63.87 2k4z n PRO 65 Cb 0.47 -1.64 -0.14 0.00 -0.04 0.00 0.00 33.50 32.15 2k4z n PRO 65 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2k4z h ASP 66 N 0.00 0.40 0.75 3.54 1.82 -2.00 -3.39 116.42 117.55 2k4z h ASP 66 Ca 0.00 -0.89 -0.18 0.00 -0.39 0.00 0.00 57.03 55.57 2k4z h ASP 66 Cb 0.07 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 39.93 2k4z h ASP 66 CO 0.00 1.77 -0.84 1.88 -1.61 0.00 0.00 179.24 180.45 2k4z h TYR 67 N -0.10 0.08 -0.26 0.28 0.05 -1.26 -3.09 116.97 112.68 2k4z h TYR 67 Ca -0.38 -0.04 0.07 0.00 0.05 0.00 0.00 58.73 58.43 2k4z h TYR 67 Cb 1.93 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 39.65 2k4z h TYR 67 CO 0.09 0.86 0.32 -0.24 -1.05 0.00 0.00 178.16 178.14 2k4z h VAL 68 N 0.03 0.37 -0.02 -2.88 3.04 -1.19 -0.12 116.25 115.48 2k4z h VAL 68 Ca -0.02 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.68 2k4z h VAL 68 Cb 1.47 0.74 -0.00 0.00 -2.01 0.00 0.00 31.29 31.48 2k4z h VAL 68 CO 0.11 0.00 0.05 0.28 -1.01 0.00 0.00 177.57 177.00 2k4z h SER 69 N 0.00 0.00 0.00 3.17 0.02 -1.74 -2.45 113.55 112.55 2k4z h SER 69 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2k4z h SER 69 Cb 0.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.30 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 -3.35 0.73 -0.14 5.07 4.77 -0.13 -4.80 117.00 119.16 2k4z n LEU 70 Ca -0.02 -0.73 0.04 0.00 -0.03 0.00 0.00 56.01 55.26 2k4z n LEU 70 Cb 0.12 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.29 2k4z n LEU 70 CO 0.22 0.18 0.55 0.18 -1.33 0.00 0.00 177.39 177.19 2k4z n LEU 71 N -0.11 2.32 -4.89 2.23 4.77 -0.77 -5.01 117.00 115.53 2k4z n LEU 71 Ca 0.00 -2.42 -0.29 0.00 -0.03 0.00 0.00 56.01 53.27 2k4z n LEU 71 Cb 0.24 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 2k4z n LEU 71 CO 0.00 0.60 0.38 1.51 -1.33 0.00 0.00 177.39 178.55 2k4z s ASP 72 N -1.68 6.42 -1.21 -1.43 -4.77 -1.16 -4.04 116.67 108.80 2k4z s ASP 72 Ca 0.15 0.95 0.00 0.00 -3.30 0.00 0.00 52.55 50.35 2k4z s ASP 72 Cb 0.13 -2.25 0.00 0.00 -1.09 0.00 0.00 42.92 39.71 2k4z s ASP 72 CO 0.03 -0.40 0.00 0.00 0.70 0.00 0.00 175.17 175.50 2k4z n GLN 73 N -1.50 -1.00 -2.97 2.11 6.02 -1.05 -4.91 117.38 114.08 2k4z n GLN 73 Ca 0.01 0.75 -0.42 0.00 -0.01 0.00 0.00 57.00 57.33 2k4z n GLN 73 Cb 0.54 -4.92 -0.05 0.00 1.02 0.00 0.00 30.24 26.84 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 -2.59 4.77 -0.49 5.09 2.01 -1.11 -4.32 115.64 118.99 2k4z s THR 74 Ca 0.00 0.95 -0.14 0.00 0.31 0.00 0.00 61.69 62.81 2k4z s THR 74 Cb 0.00 -4.17 0.10 0.00 0.01 0.00 0.00 72.50 68.44 2k4z s THR 74 CO 0.00 -0.36 0.41 -0.89 -0.69 0.00 0.00 174.62 173.09 2k4z s THR 75 N 3.01 4.97 -0.42 -0.82 2.01 -1.07 -1.14 115.64 122.19 2k4z s THR 75 Ca 0.31 -1.36 -0.22 0.00 0.31 0.00 0.00 61.69 60.73 2k4z s THR 75 Cb -0.14 -4.10 0.02 0.00 0.01 0.00 0.00 72.50 68.30 2k4z s THR 75 CO 0.15 -0.70 0.72 -0.22 -0.69 0.00 0.00 174.62 173.88 2k4z s LEU 76 N 1.56 4.31 0.37 4.42 2.96 0.13 0.12 118.68 132.55 2k4z s LEU 76 Ca 0.04 -0.08 0.08 0.00 -0.22 0.00 0.00 54.13 53.94 2k4z s LEU 76 Cb -0.27 -2.87 -0.04 0.00 0.50 0.00 0.00 46.19 43.51 2k4z s LEU 76 CO 0.04 -0.80 0.17 -0.62 -1.32 0.00 0.00 176.35 173.81 2k4z s ASP 77 N 2.01 4.59 -0.54 3.68 2.15 -0.25 -2.19 116.67 126.12 2k4z s ASP 77 Ca 0.27 -0.89 0.02 0.00 0.43 0.00 0.00 52.55 52.39 2k4z s ASP 77 Cb -0.13 -0.62 0.14 0.00 -0.30 0.00 0.00 42.92 42.01 2k4z s ASP 77 CO 0.20 -0.41 0.30 -0.47 -0.17 0.00 0.00 175.17 174.62 2k4z s TYR 78 N -2.50 3.24 0.11 -5.34 5.04 -1.26 -2.52 117.35 114.12 2k4z s TYR 78 Ca 0.40 -3.07 0.05 0.00 -2.44 0.00 0.00 57.07 52.01 2k4z s TYR 78 Cb -0.00 -2.91 -0.04 0.00 0.35 0.00 0.00 41.96 39.36 2k4z s TYR 78 CO 0.23 -0.77 -0.13 0.14 -1.34 0.00 0.00 175.55 173.68 2k4z s VAL 79 N -0.23 1.23 -0.61 3.14 -7.23 -1.24 -4.90 120.40 110.55 2k4z s VAL 79 Ca 0.17 -1.64 -0.16 0.00 -1.81 0.00 0.00 61.98 58.54 2k4z s VAL 79 Cb -0.25 -1.43 0.14 0.00 0.56 0.00 0.00 36.38 35.41 2k4z s VAL 79 CO -0.01 -0.41 0.61 -1.83 -0.31 0.00 0.00 175.10 173.15 2k4z s GLU 80 N -2.53 3.13 0.43 4.82 -1.05 -1.26 -1.51 118.70 120.72 2k4z s GLU 80 Ca 0.06 -1.76 0.18 0.00 -0.15 0.00 0.00 54.97 53.31 2k4z s GLU 80 Cb -0.05 -4.33 0.97 0.00 -0.44 0.00 0.00 34.13 30.27 2k4z s GLU 80 CO 0.02 -1.38 1.91 -0.07 0.95 0.00 0.00 175.26 176.69 2k4z h LEU 81 N 8.98 0.00 -9.00 1.83 3.38 -1.88 -3.42 115.31 115.20 2k4z h LEU 81 Ca -0.22 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.07 2k4z h LEU 81 Cb 1.08 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.62 2k4z h LEU 81 CO 1.01 0.27 -0.80 -1.61 0.09 0.00 0.00 178.44 177.39 2k4z s GLU 82 N -4.20 2.05 -0.24 1.13 2.02 -1.25 -5.06 118.70 113.15 2k4z s GLU 82 Ca -0.03 -1.00 -0.34 0.00 0.02 0.00 0.00 54.97 53.62 2k4z s GLU 82 Cb 0.14 -2.19 -0.11 0.00 0.10 0.00 0.00 34.13 32.07 2k4z s GLU 82 CO 0.68 0.53 2.08 -2.30 0.02 0.00 0.00 175.26 176.27 2k4z n PRO 83 N 1.41 1.57 0.00 0.39 -0.02 -1.26 -0.81 135.00 136.28 2k4z n PRO 83 Ca -0.16 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2k4z n PRO 83 Cb 0.52 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 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 5.62 2.76 3.32 -1.23 0.00 -1.26 -4.95 105.19 109.44 2k4z n GLY 84 Ca 0.33 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.13 3.19 -0.35 1.61 2.00 0.01 -5.02 119.66 120.97 2k4z s GLN 85 Ca 0.00 -1.94 -0.29 0.00 -2.00 0.00 0.00 55.36 51.13 2k4z s GLN 85 Cb 0.00 -4.34 0.00 0.00 0.80 0.00 0.00 33.01 29.47 2k4z s GLN 85 CO 0.00 -1.32 1.44 -0.06 -0.50 0.00 0.00 175.29 174.85 2k4z s PHE 86 N 1.17 2.39 -0.14 1.67 0.08 -1.26 -3.75 117.98 118.13 2k4z s PHE 86 Ca 0.08 0.70 -0.06 0.00 0.12 0.00 0.00 56.93 57.77 2k4z s PHE 86 Cb -0.24 -4.14 -0.04 0.00 -0.57 0.00 0.00 43.02 38.03 2k4z s PHE 86 CO -0.01 -2.12 0.07 -1.58 -0.10 0.00 0.00 175.22 171.48 2k4z s HIS 87 N 5.24 3.34 -0.41 0.36 5.65 -0.57 -4.96 115.29 123.94 2k4z s HIS 87 Ca 0.63 0.25 -0.29 0.00 0.25 0.00 0.00 55.06 55.90 2k4z s HIS 87 Cb -0.17 -1.97 0.01 0.00 -1.18 0.00 0.00 32.58 29.28 2k4z s HIS 87 CO 0.30 0.41 1.41 -0.06 -0.65 0.00 0.00 174.74 176.15 2k4z s PHE 88 N -0.36 2.41 -0.26 3.88 0.08 -1.26 -3.63 117.98 118.83 2k4z s PHE 88 Ca 0.09 0.68 -0.06 0.00 0.12 0.00 0.00 56.93 57.76 2k4z s PHE 88 Cb -0.12 -4.30 -0.01 0.00 -0.57 0.00 0.00 43.02 38.02 2k4z s PHE 88 CO 0.02 -1.98 0.05 -1.50 -0.10 0.00 0.00 175.22 171.71 2k4z s ILE 89 N 5.40 4.00 -0.57 0.64 2.07 -1.05 -4.99 121.20 126.70 2k4z s ILE 89 Ca 0.61 -0.43 -0.18 0.00 -1.41 0.00 0.00 60.65 59.25 2k4z s ILE 89 Cb -0.14 -2.93 0.12 0.00 0.13 0.00 0.00 42.46 39.64 2k4z s ILE 89 CO 0.32 0.26 0.62 -0.36 -1.91 0.00 0.00 174.94 173.87 2k4z s PHE 90 N 1.55 3.11 -1.14 3.50 0.40 -1.26 -1.09 117.98 123.04 2k4z s PHE 90 Ca 0.05 -1.11 -0.20 0.00 -0.60 0.00 0.00 56.93 55.07 2k4z s PHE 90 Cb -0.16 -3.93 0.08 0.00 0.51 0.00 0.00 43.02 39.53 2k4z s PHE 90 CO 0.02 -1.18 1.53 -0.51 0.70 0.00 0.00 175.22 175.77 2k4z s LEU 91 N 2.21 3.97 -0.24 -0.37 1.43 0.12 -4.86 118.68 120.94 2k4z s LEU 91 Ca 0.08 -2.08 -0.10 0.00 -1.03 0.00 0.00 54.13 51.01 2k4z s LEU 91 Cb -0.26 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 2k4z s LEU 91 CO 0.05 -1.24 0.14 0.20 0.23 0.00 0.00 176.35 175.72 2k4z s ASN 92 N 4.30 5.83 0.33 2.29 -0.87 -1.26 -2.59 114.94 122.97 2k4z s ASN 92 Ca 0.47 0.01 0.26 0.00 -1.57 0.00 0.00 52.86 52.04 2k4z s ASN 92 Cb 0.01 -2.05 1.08 0.00 -0.02 0.00 0.00 41.25 40.26 2k4z s ASN 92 CO -0.02 0.03 1.78 1.55 -2.57 0.00 0.00 177.10 177.87 2k4z h PRO 93 N 7.77 0.00 -0.05 -0.60 0.13 -1.93 -3.10 132.00 134.22 2k4z h PRO 93 Ca -0.37 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.64 2k4z h PRO 93 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.31 2k4z h PRO 93 CO 0.62 0.00 -0.43 0.00 -0.23 0.00 0.00 178.00 177.95 2k4z h ARG 94 N 0.00 0.38 -4.35 0.86 3.08 -1.91 -3.40 114.38 109.05 2k4z h ARG 94 Ca 0.00 -0.35 -0.72 0.00 0.07 0.00 0.00 59.98 58.99 2k4z h ARG 94 Cb 0.39 0.08 -0.31 0.00 0.08 0.00 0.00 29.97 30.21 2k4z h ARG 94 CO 0.00 1.00 -0.44 0.34 -1.07 0.00 0.00 179.97 179.80 2k4z s ASP 95 N -6.55 5.55 -0.16 7.04 2.15 -1.17 -5.05 116.67 118.49 2k4z s ASP 95 Ca -0.14 -1.97 -0.29 0.00 0.43 0.00 0.00 52.55 50.59 2k4z s ASP 95 Cb 0.04 -1.95 -0.06 0.00 -0.30 0.00 0.00 42.92 40.65 2k4z s ASP 95 CO 0.80 -0.64 2.05 -2.84 -0.17 0.00 0.00 175.17 174.36 2k4z s PRO 96 N 1.26 3.50 0.08 4.34 0.02 -1.26 -4.60 135.00 138.33 2k4z s PRO 96 Ca 0.07 2.10 0.05 0.00 0.02 0.00 0.00 61.00 63.23 2k4z s PRO 96 Cb -0.25 -4.26 -0.23 0.00 0.02 0.00 0.00 34.50 29.77 2k4z s PRO 96 CO -0.02 -1.68 1.12 1.15 -0.33 0.00 0.00 177.00 177.24 2k4z h THR 97 N 6.59 1.50 -3.29 0.99 2.02 -1.95 -3.42 112.91 115.35 2k4z h THR 97 Ca -0.42 -3.20 -0.51 0.00 0.77 0.00 0.00 66.41 63.05 2k4z h THR 97 Cb 1.22 2.80 -0.39 0.00 -1.74 0.00 0.00 68.15 70.04 2k4z h THR 97 CO 0.97 0.88 -0.77 -0.31 0.37 0.00 0.00 175.52 176.66 2k4z s TYR 98 N -2.67 1.09 -0.17 3.16 2.02 -1.26 -5.12 117.35 114.40 2k4z s TYR 98 Ca -0.02 -0.83 -0.01 0.00 -0.37 0.00 0.00 57.07 55.83 2k4z s TYR 98 Cb 0.09 -1.04 0.05 0.00 -0.40 0.00 0.00 41.96 40.65 2k4z s TYR 98 CO 0.84 -0.59 -0.01 0.50 -1.57 0.00 0.00 175.55 174.72 2k4z s ARG 99 N 1.84 1.01 0.82 -0.62 3.52 -1.26 -5.14 118.95 119.12 2k4z s ARG 99 Ca -0.00 -0.42 -0.11 0.00 -0.13 0.00 0.00 55.73 55.06 2k4z s ARG 99 Cb -0.16 -1.94 0.08 0.00 -1.56 0.00 0.00 34.95 31.37 2k4z s ARG 99 CO -0.08 -0.51 1.09 -2.14 -0.81 0.00 0.00 175.30 172.85 2k4z s PRO 100 N 1.75 1.89 0.85 5.12 0.02 -1.26 -5.03 135.00 138.34 2k4z s PRO 100 Ca 0.00 0.95 -0.11 0.00 0.02 0.00 0.00 61.00 61.86 2k4z s PRO 100 Cb -0.16 -1.87 0.10 0.00 0.02 0.00 0.00 34.50 32.59 2k4z s PRO 100 CO -0.07 -1.83 1.10 -1.25 -0.33 0.00 0.00 177.00 174.62 2k4z s PRO 101 N -4.96 1.62 -0.06 5.54 0.04 -1.26 -4.97 135.00 130.96 2k4z s PRO 101 Ca 0.62 1.22 -0.30 0.00 0.04 0.00 0.00 61.00 62.57 2k4z s PRO 101 Cb -0.17 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 2k4z s PRO 101 CO 0.56 -2.10 1.22 -1.12 0.04 0.00 0.00 177.00 175.59 2k4z s SER 102 N -3.15 7.03 0.00 6.66 0.01 -1.26 -3.00 113.70 119.98 2k4z s SER 102 Ca 0.63 1.83 0.00 0.00 1.31 0.00 0.00 55.95 59.73 2k4z s SER 102 Cb -0.19 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2k4z s SER 102 CO 0.57 -0.60 0.00 0.61 0.41 0.00 0.00 173.24 174.23 2k4z n GLY 103 N 3.39 0.57 0.00 3.44 0.00 -1.26 -5.36 105.19 105.98 2k4z n GLY 103 Ca 0.11 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2k4z n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93