#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 2.57 3.58 3.03 0.00 -1.26 -4.93 105.19 108.18 2k4z n GLY -19 Ca 0.00 -1.29 -0.44 0.00 0.00 0.00 0.00 46.02 44.29 2k4z n GLY -19 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k4z n SER -18 N 9.25 3.14 -4.74 1.61 7.64 -1.26 -4.95 113.62 124.31 2k4z n SER -18 Ca 0.49 0.26 -0.40 0.00 1.01 0.00 0.00 58.87 60.22 2k4z n SER -18 Cb 0.44 -1.51 -0.05 0.00 -1.01 0.00 0.00 64.21 62.08 2k4z n SER -18 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k4z s SER -17 N 8.04 7.19 0.15 6.43 0.15 -1.26 -4.97 113.70 129.42 2k4z s SER -17 Ca 1.02 1.42 -0.13 0.00 0.70 0.00 0.00 55.95 58.96 2k4z s SER -17 Cb -0.41 -2.46 0.02 0.00 -1.71 0.00 0.00 66.02 61.45 2k4z s SER -17 CO 0.37 -0.01 1.61 0.45 1.20 0.00 0.00 173.24 176.86 2k4z h HIS -16 N 5.86 0.91 -3.15 3.44 -0.00 -2.04 -3.42 115.15 116.76 2k4z h HIS -16 Ca -0.43 -0.15 -0.59 0.00 -0.00 0.00 0.00 60.37 59.20 2k4z h HIS -16 Cb 1.20 -0.24 -0.04 0.00 -0.00 0.00 0.00 27.41 28.33 2k4z h HIS -16 CO 0.65 0.85 -0.23 -1.01 -0.00 0.00 0.00 177.93 178.20 2k4z s HIS -15 N -5.08 3.57 -0.14 2.45 0.09 -1.26 -5.03 115.29 109.89 2k4z s HIS -15 Ca -0.13 0.80 -0.23 0.00 -0.00 0.00 0.00 55.06 55.51 2k4z s HIS -15 Cb 0.11 -2.17 -0.20 0.00 -0.00 0.00 0.00 32.58 30.32 2k4z s HIS -15 CO 0.81 0.49 0.56 1.25 -0.00 0.00 0.00 174.74 177.86 2k4z h HIS -14 N 3.58 0.00 -3.89 1.40 6.17 -2.04 -3.46 115.15 116.92 2k4z h HIS -14 Ca -0.49 0.00 -0.68 0.00 0.71 0.00 0.00 60.37 59.91 2k4z h HIS -14 Cb 1.19 0.00 -0.28 0.00 2.52 0.00 0.00 27.41 30.84 2k4z h HIS -14 CO 0.66 0.83 -0.82 -1.58 0.71 0.00 0.00 177.93 177.72 2k4z s HIS -13 N -2.11 2.60 0.20 5.26 5.04 -1.26 -5.10 115.29 119.92 2k4z s HIS -13 Ca -0.16 -0.52 0.07 0.00 -1.54 0.00 0.00 55.06 52.91 2k4z s HIS -13 Cb -0.02 -1.66 -0.04 0.00 0.04 0.00 0.00 32.58 30.91 2k4z s HIS -13 CO 0.54 -0.08 0.08 -1.01 -2.34 0.00 0.00 174.74 171.93 2k4z s HIS -12 N -0.24 2.98 -0.35 3.88 3.76 -1.26 -5.09 115.29 118.97 2k4z s HIS -12 Ca -0.00 -0.10 0.01 0.00 -0.15 0.00 0.00 55.06 54.82 2k4z s HIS -12 Cb -0.13 -1.40 0.14 0.00 1.11 0.00 0.00 32.58 32.30 2k4z s HIS -12 CO 0.03 0.53 0.29 -1.58 -0.85 0.00 0.00 174.74 173.16 2k4z s HIS -11 N -1.89 0.08 0.27 1.40 5.04 -1.26 -5.13 115.29 113.80 2k4z s HIS -11 Ca 0.30 -1.02 -0.29 0.00 -1.54 0.00 0.00 55.06 52.51 2k4z s HIS -11 Cb -0.09 -0.63 -0.09 0.00 0.04 0.00 0.00 32.58 31.81 2k4z s HIS -11 CO 0.22 -0.90 0.96 -1.12 -2.34 0.00 0.00 174.74 171.55 2k4z s SER -10 N 1.48 7.51 0.12 9.88 0.01 -1.26 -5.06 113.70 126.37 2k4z s SER -10 Ca 0.16 1.96 0.04 0.00 1.31 0.00 0.00 55.95 59.42 2k4z s SER -10 Cb -0.18 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.41 2k4z s SER -10 CO -0.08 0.05 0.07 -0.44 0.41 0.00 0.00 173.24 173.25 2k4z s SER -9 N -1.26 5.34 0.00 2.44 0.01 -1.26 -4.75 113.70 114.21 2k4z s SER -9 Ca 0.44 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.58 2k4z s SER -9 Cb -0.25 -1.36 0.00 0.00 0.21 0.00 0.00 66.02 64.62 2k4z s SER -9 CO 0.31 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.70 2k4z n GLY -8 N 0.17 0.81 3.84 3.44 0.00 -1.26 -5.10 105.19 107.09 2k4z n GLY -8 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2k4z n GLY -8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k4z s LEU -7 N 0.00 3.72 -0.39 0.99 2.01 -1.26 -4.51 118.68 119.24 2k4z s LEU -7 Ca 0.00 1.58 -0.12 0.00 0.01 0.00 0.00 54.13 55.60 2k4z s LEU -7 Cb 0.00 -4.49 0.01 0.00 0.01 0.00 0.00 46.19 41.72 2k4z s LEU -7 CO 0.00 -0.51 0.45 0.52 1.01 0.00 0.00 176.35 177.81 2k4z n VAL -6 N -1.30-11.23 0.38 -1.59 0.31 -1.26 -4.89 118.33 98.76 2k4z n VAL -6 Ca 0.06 1.12 -0.00 0.00 -0.01 0.00 0.00 64.34 65.51 2k4z n VAL -6 Cb 0.54 -7.18 0.11 0.00 -0.91 0.00 0.00 33.84 26.40 2k4z n VAL -6 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2k4z n PRO -5 N -0.06 1.99 -3.74 5.55 -0.04 -1.26 -4.78 135.00 132.66 2k4z n PRO -5 Ca 0.09 -0.97 -0.12 0.00 -0.04 0.00 0.00 63.50 62.46 2k4z n PRO -5 Cb 0.34 -1.64 -0.13 0.00 -0.04 0.00 0.00 33.50 32.04 2k4z n PRO -5 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2k4z s ARG -4 N -1.40 0.21 0.27 0.54 3.52 -1.26 -5.16 118.95 115.67 2k4z s ARG -4 Ca 0.17 0.50 0.04 0.00 -0.13 0.00 0.00 55.73 56.31 2k4z s ARG -4 Cb 0.13 -0.09 -0.03 0.00 -1.56 0.00 0.00 34.95 33.41 2k4z s ARG -4 CO 0.05 -0.15 0.41 0.20 -0.81 0.00 0.00 175.30 175.00 2k4z s GLY -3 N 1.11 1.25 0.78 8.12 0.00 -1.26 -5.11 107.32 112.20 2k4z s GLY -3 Ca -0.08 -1.14 -0.07 0.00 0.00 0.00 0.00 44.72 43.43 2k4z s GLY -3 CO -0.07 -1.13 1.10 -0.45 0.00 0.00 0.00 173.10 172.54 2k4z s SER -2 N -4.00 4.16 0.43 1.64 0.15 -1.26 -4.98 113.70 109.85 2k4z s SER -2 Ca 0.36 0.13 0.23 0.00 0.70 0.00 0.00 55.95 57.37 2k4z s SER -2 Cb -0.09 -0.52 0.36 0.00 -1.71 0.00 0.00 66.02 64.06 2k4z s SER -2 CO 0.31 -2.02 1.61 -0.74 1.20 0.00 0.00 173.24 173.60 2k4z h HIS -1 N -0.88 0.00 -3.35 3.44 2.76 -1.99 -3.44 115.15 111.69 2k4z h HIS -1 Ca -0.42 0.00 -0.56 0.00 -2.20 0.00 0.00 60.37 57.19 2k4z h HIS -1 Cb 1.28 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.19 2k4z h HIS -1 CO -0.28 0.05 0.04 -1.64 -1.30 0.00 0.00 177.93 174.80 2k4z s MET 0 N -3.21 4.37 0.00 5.26 -1.94 -1.26 -4.95 119.30 117.57 2k4z s MET 0 Ca 0.06 0.84 0.23 0.00 -1.71 0.00 0.00 55.69 55.11 2k4z s MET 0 Cb 0.05 -3.35 0.58 0.00 2.01 0.00 0.00 34.83 34.12 2k4z s MET 0 CO 0.67 0.34 1.50 -1.33 -0.01 0.00 0.00 175.02 176.19 2k4z n MET 1 N 2.73 2.62 -1.93 2.03 0.00 -1.26 -4.93 117.12 116.39 2k4z n MET 1 Ca -0.05 -2.50 -0.42 0.00 0.00 0.00 0.00 57.70 54.73 2k4z n MET 1 Cb 0.51 -1.55 -0.03 0.00 0.00 0.00 0.00 33.22 32.15 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 -1.18 2.53 -0.31 2.03 5.36 -1.26 -3.88 117.98 121.27 2k4z s PHE 2 Ca 0.45 0.37 0.01 0.00 -0.96 0.00 0.00 56.93 56.81 2k4z s PHE 2 Cb 0.24 -3.96 0.08 0.00 -0.34 0.00 0.00 43.02 39.04 2k4z s PHE 2 CO 0.33 -3.80 0.00 0.15 -1.46 0.00 0.00 175.22 170.44 2k4z s LYS 3 N 2.37 2.03 -0.39 10.12 1.02 0.04 -4.96 119.74 129.97 2k4z s LYS 3 Ca 0.73 -1.55 -0.22 0.00 0.02 0.00 0.00 55.97 54.96 2k4z s LYS 3 Cb -0.41 -3.14 0.01 0.00 -0.52 0.00 0.00 37.83 33.78 2k4z s LYS 3 CO 0.32 -0.75 0.71 -1.17 -0.92 0.00 0.00 175.35 173.54 2k4z s LEU 4 N 1.08 4.26 0.30 3.17 0.20 -1.26 0.20 118.68 126.62 2k4z s LEU 4 Ca -0.00 0.08 -0.29 0.00 0.69 0.00 0.00 54.13 54.61 2k4z s LEU 4 Cb -0.20 -2.88 -0.10 0.00 -0.43 0.00 0.00 46.19 42.58 2k4z s LEU 4 CO -0.05 -0.73 1.25 0.42 -0.29 0.00 0.00 176.35 176.96 2k4z s THR 5 N 2.96 2.99 0.53 3.68 -4.23 -1.04 -4.85 115.64 115.68 2k4z s THR 5 Ca 0.27 0.97 0.25 0.00 -1.18 0.00 0.00 61.69 62.00 2k4z s THR 5 Cb -0.14 -3.62 0.38 0.00 1.34 0.00 0.00 72.50 70.47 2k4z s THR 5 CO 0.18 0.22 2.01 -0.65 -0.54 0.00 0.00 174.62 175.84 2k4z h PRO 6 N 3.78 0.00 -0.34 3.99 0.11 -1.96 0.17 132.00 137.75 2k4z h PRO 6 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2k4z h PRO 6 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2k4z h PRO 6 CO 0.68 0.00 0.17 0.00 -0.21 0.00 0.00 178.00 178.64 2k4z h ALA 7 N 1.75 0.44 0.00 -0.75 0.00 -1.95 -1.95 119.26 116.81 2k4z h ALA 7 Ca 0.22 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 2k4z h ALA 7 Cb 0.91 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2k4z h ALA 7 CO -0.00 -0.00 -0.87 0.00 0.00 0.00 0.00 179.25 178.38 2k4z h ALA 8 N 1.03 0.54 -0.46 0.00 0.00 -1.45 -3.17 119.26 115.75 2k4z h ALA 8 Ca 0.12 -0.79 0.01 0.00 0.00 0.00 0.00 54.91 54.25 2k4z h ALA 8 Cb 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2k4z h ALA 8 CO -0.02 1.08 0.31 0.00 0.00 0.00 0.00 179.25 180.62 2k4z h ALA 9 N 1.13 1.71 -0.27 0.00 0.00 -0.48 -0.65 119.26 120.70 2k4z h ALA 9 Ca -0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2k4z h ALA 9 Cb 1.56 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2k4z h ALA 9 CO 0.11 0.26 -0.16 1.49 0.00 0.00 0.00 179.25 180.95 2k4z h GLU 10 N 0.59 0.46 -0.21 0.00 4.81 -1.32 0.22 114.58 119.13 2k4z h GLU 10 Ca 0.17 -0.14 -0.21 0.00 -0.13 0.00 0.00 59.36 59.06 2k4z h GLU 10 Cb -0.02 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.32 2k4z h GLU 10 CO -0.04 0.61 -0.68 0.37 -0.73 0.00 0.00 179.01 178.54 2k4z h GLN 11 N 0.42 0.83 -0.31 1.92 4.15 -1.25 -0.50 115.11 120.38 2k4z h GLN 11 Ca 0.08 -0.61 -0.02 0.00 0.77 0.00 0.00 58.65 58.86 2k4z h GLN 11 Cb 0.53 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 2k4z h GLN 11 CO 0.03 1.23 0.10 0.28 -1.93 0.00 0.00 178.83 178.54 2k4z h VAL 12 N 0.60 1.20 -0.93 2.39 2.07 -1.00 -2.60 116.25 117.97 2k4z h VAL 12 Ca -0.02 -0.65 0.08 0.00 0.82 0.00 0.00 66.70 66.93 2k4z h VAL 12 Cb 1.30 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 32.04 2k4z h VAL 12 CO 0.14 0.22 0.58 0.25 0.02 0.00 0.00 177.57 178.79 2k4z h LEU 13 N 0.35 0.90 0.24 2.57 5.85 -0.49 -2.19 115.31 122.54 2k4z h LEU 13 Ca 0.10 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.85 2k4z h LEU 13 Cb 0.24 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 2k4z h LEU 13 CO -0.00 0.55 -0.30 0.50 -0.34 0.00 0.00 178.44 178.84 2k4z h LYS 14 N 1.02 -0.57 -1.00 1.25 3.64 -0.80 0.26 116.57 120.36 2k4z h LYS 14 Ca 0.42 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.90 2k4z h LYS 14 Cb 0.27 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.15 2k4z h LYS 14 CO -0.20 -0.38 0.65 0.00 -2.27 0.00 0.00 179.45 177.24 2k4z h ALA 15 N 0.01 1.40 -0.12 5.00 0.00 -1.08 -1.43 119.26 123.03 2k4z h ALA 15 Ca 0.00 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 2k4z h ALA 15 Cb 0.57 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2k4z h ALA 15 CO -0.10 0.46 -0.76 0.00 0.00 0.00 0.00 179.25 178.85 2k4z h ALA 16 N 1.45 0.43 0.00 0.00 0.00 -1.15 -3.19 119.26 116.80 2k4z h ALA 16 Ca 0.43 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2k4z h ALA 16 Cb 0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2k4z h ALA 16 CO -0.16 0.72 -0.16 -0.22 0.00 0.00 0.00 179.25 179.43 2k4z h LYS 17 N 0.42 0.00 0.00 0.00 3.64 0.40 -1.25 116.57 119.78 2k4z h LYS 17 Ca -0.04 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 2k4z h LYS 17 Cb 1.37 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.18 2k4z h LYS 17 CO 0.15 0.16 -0.43 1.96 -2.27 0.00 0.00 179.45 179.01 2k4z h GLN 18 N 0.00 0.00 0.00 1.90 1.08 -1.28 -3.49 115.11 113.32 2k4z h GLN 18 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k4z h GLN 18 Cb 0.54 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 2k4z h GLN 18 CO 0.02 0.43 0.00 0.41 -0.95 0.00 0.00 178.83 178.75 2k4z n GLY 19 N -0.11 2.86 0.00 3.46 0.00 -0.47 -5.06 105.19 105.88 2k4z n GLY 19 Ca -0.01 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.15 2k4z n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4z n GLY 20 N 0.23 2.22 0.85 -0.02 0.00 -1.26 -4.66 105.19 102.56 2k4z n GLY 20 Ca 0.00 -0.73 0.09 0.00 0.00 0.00 0.00 46.02 45.38 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 0.51 -1.86 2.61 -2.24 -1.26 -4.90 114.28 107.13 2k4z n THR 21 Ca 0.00 -0.59 -0.42 0.00 -2.27 0.00 0.00 64.05 60.77 2k4z n THR 21 Cb 0.00 0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 68.65 2k4z n THR 21 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2k4z s GLU 22 N -1.49 4.18 0.00 -0.78 2.12 -1.25 -1.71 118.70 119.77 2k4z s GLU 22 Ca 0.34 2.43 0.00 0.00 0.36 0.00 0.00 54.97 58.09 2k4z s GLU 22 Cb 0.18 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 31.18 2k4z s GLU 22 CO 0.25 -0.72 0.00 0.41 -0.54 0.00 0.00 175.26 174.66 2k4z n GLY 23 N 3.96 2.61 3.90 -1.50 0.00 -1.26 -5.03 105.19 107.87 2k4z n GLY 23 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 2k4z n GLY 23 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2k4z s MET 24 N -0.49 2.81 0.24 1.61 -1.94 -0.70 -5.05 119.30 115.78 2k4z s MET 24 Ca 0.00 0.17 0.07 0.00 -1.71 0.00 0.00 55.69 54.23 2k4z s MET 24 Cb 0.00 -2.15 -0.04 0.00 2.01 0.00 0.00 34.83 34.65 2k4z s MET 24 CO 0.00 -0.91 0.13 0.00 -0.01 0.00 0.00 175.02 174.23 2k4z s LEU 26 N -3.66 4.41 -0.41 0.00 2.96 -0.45 -0.72 118.68 120.80 2k4z s LEU 26 Ca 0.32 -0.79 -0.21 0.00 -0.22 0.00 0.00 54.13 53.23 2k4z s LEU 26 Cb -0.08 -2.55 0.02 0.00 0.50 0.00 0.00 46.19 44.08 2k4z s LEU 26 CO 0.23 -1.29 0.64 -0.60 -1.32 0.00 0.00 176.35 174.02 2k4z s ARG 27 N 3.78 3.40 0.02 1.98 6.06 0.68 -0.80 118.95 134.08 2k4z s ARG 27 Ca 0.23 -0.24 -0.06 0.00 -2.50 0.00 0.00 55.73 53.17 2k4z s ARG 27 Cb -0.16 -3.91 -0.05 0.00 0.06 0.00 0.00 34.95 30.89 2k4z s ARG 27 CO 0.13 -0.93 0.27 -0.51 -2.50 0.00 0.00 175.30 171.76 2k4z s LEU 28 N 2.80 4.36 0.36 -0.88 1.43 -0.89 -1.58 118.68 124.28 2k4z s LEU 28 Ca 0.23 0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 53.84 2k4z s LEU 28 Cb -0.14 -2.76 0.01 0.00 0.03 0.00 0.00 46.19 43.33 2k4z s LEU 28 CO 0.18 0.23 0.50 0.00 0.23 0.00 0.00 176.35 177.48 2k4z s ALA 29 N -1.35 0.81 -0.09 4.21 0.00 -0.29 -4.36 121.76 120.68 2k4z s ALA 29 Ca 0.29 -1.55 -0.05 0.00 0.00 0.00 0.00 51.96 50.65 2k4z s ALA 29 Cb -0.13 1.14 0.04 0.00 0.00 0.00 0.00 23.12 24.17 2k4z s ALA 29 CO 0.18 -0.80 0.22 0.00 0.00 0.00 0.00 175.76 175.36 2k4z s ALA 30 N -2.89 -0.49 -0.37 0.00 0.00 -1.26 0.17 121.76 116.91 2k4z s ALA 30 Ca 0.30 0.91 -0.18 0.00 0.00 0.00 0.00 51.96 53.00 2k4z s ALA 30 Cb -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.53 2k4z s ALA 30 CO 0.21 -0.19 0.49 0.20 0.00 0.00 0.00 175.76 176.48 2k4z s GLY 31 N 1.21 1.83 -0.60 0.00 0.00 0.14 -4.90 107.32 104.99 2k4z s GLY 31 Ca -0.09 -1.16 -0.22 0.00 0.00 0.00 0.00 44.72 43.25 2k4z s GLY 31 CO -0.08 1.24 0.86 -1.60 0.00 0.00 0.00 173.10 173.53 2k4z s ARG 32 N 2.35 3.14 -0.29 2.90 3.52 -1.26 -0.75 118.95 128.55 2k4z s ARG 32 Ca 0.17 -0.82 -0.20 0.00 -0.13 0.00 0.00 55.73 54.75 2k4z s ARG 32 Cb -0.16 -4.18 -0.01 0.00 -1.56 0.00 0.00 34.95 29.04 2k4z s ARG 32 CO 0.14 -1.62 0.61 -0.80 -0.81 0.00 0.00 175.30 172.82 2k4z s ASN 33 N 3.37 6.50 0.46 -2.12 0.01 -0.03 -4.94 114.94 118.18 2k4z s ASN 33 Ca 0.21 0.48 0.29 0.00 -0.71 0.00 0.00 52.86 53.13 2k4z s ASN 33 Cb -0.18 -2.32 1.57 0.00 0.41 0.00 0.00 41.25 40.73 2k4z s ASN 33 CO 0.11 -0.43 1.87 -0.65 -1.51 0.00 0.00 177.10 176.50 2k4z h PRO 34 N 8.11 0.00 0.00 -0.60 0.11 -1.95 0.57 132.00 138.24 2k4z h PRO 34 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2k4z h PRO 34 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2k4z h PRO 34 CO 0.78 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 178.13 2k4z h ASP 35 N 0.00 0.00 0.00 -2.05 5.19 -2.02 -3.44 116.42 114.09 2k4z h ASP 35 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2k4z h ASP 35 Cb 0.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.62 2k4z h ASP 35 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 2k4z n GLY 36 N -0.64 1.98 2.82 2.75 0.00 0.09 -5.10 105.19 107.09 2k4z n GLY 36 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2k4z n GLY 36 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k4z s SER 37 N -2.00 4.21 -0.69 1.61 0.15 -0.60 -4.75 113.70 111.63 2k4z s SER 37 Ca 0.00 -1.91 -0.20 0.00 0.70 0.00 0.00 55.95 54.54 2k4z s SER 37 Cb 0.00 -1.11 0.10 0.00 -1.71 0.00 0.00 66.02 63.30 2k4z s SER 37 CO 0.00 -0.39 0.88 -0.63 1.20 0.00 0.00 173.24 174.30 2k4z s ILE 38 N 1.26 4.66 -0.46 6.45 1.01 -1.26 -0.85 121.20 132.01 2k4z s ILE 38 Ca 0.11 -0.95 -0.20 0.00 0.00 0.00 0.00 60.65 59.61 2k4z s ILE 38 Cb -0.19 -4.61 0.03 0.00 0.01 0.00 0.00 42.46 37.70 2k4z s ILE 38 CO -0.17 -1.31 0.62 -1.81 0.00 0.00 0.00 174.94 172.26 2k4z s ASP 39 N 3.58 6.28 0.10 3.58 1.01 0.07 -4.77 116.67 126.52 2k4z s ASP 39 Ca 0.20 -0.54 -0.30 0.00 0.71 0.00 0.00 52.55 52.61 2k4z s ASP 39 Cb -0.17 -2.30 -0.06 0.00 1.01 0.00 0.00 42.92 41.39 2k4z s ASP 39 CO 0.04 -0.79 1.19 -0.31 0.21 0.00 0.00 175.17 175.51 2k4z s TYR 40 N 2.70 3.45 -0.01 4.23 2.02 -1.26 0.25 117.35 128.74 2k4z s TYR 40 Ca 0.19 1.35 0.02 0.00 -0.37 0.00 0.00 57.07 58.26 2k4z s TYR 40 Cb -0.16 -3.41 -0.03 0.00 -0.40 0.00 0.00 41.96 37.96 2k4z s TYR 40 CO 0.16 -1.21 -0.02 1.03 -1.57 0.00 0.00 175.55 173.94 2k4z s ARG 41 N 0.63 2.73 -0.14 -0.62 0.52 0.13 -4.90 118.95 117.29 2k4z s ARG 41 Ca 0.57 -0.63 0.01 0.00 -0.52 0.00 0.00 55.73 55.16 2k4z s ARG 41 Cb -0.30 -2.63 0.02 0.00 0.52 0.00 0.00 34.95 32.56 2k4z s ARG 41 CO 0.31 0.62 -0.17 1.41 0.02 0.00 0.00 175.30 177.49 2k4z s MET 42 N -1.45 2.56 0.31 3.54 -2.45 -1.26 -1.13 119.30 119.40 2k4z s MET 42 Ca 0.18 -0.67 0.00 0.00 -1.25 0.00 0.00 55.69 53.95 2k4z s MET 42 Cb -0.11 -2.19 -0.02 0.00 1.25 0.00 0.00 34.83 33.76 2k4z s MET 42 CO 0.09 -0.13 0.35 0.20 1.05 0.00 0.00 175.02 176.58 2k4z s GLY 43 N 1.15 1.69 -0.03 2.11 0.00 -0.62 -5.04 107.32 106.58 2k4z s GLY 43 Ca -0.01 -1.69 0.06 0.00 0.00 0.00 0.00 44.72 43.08 2k4z s GLY 43 CO -0.06 -1.20 -0.21 -1.36 0.00 0.00 0.00 173.10 170.26 2k4z s PHE 44 N -3.46 2.49 0.33 1.90 0.40 -1.26 -0.23 117.98 118.14 2k4z s PHE 44 Ca 0.35 -0.34 -0.13 0.00 -0.60 0.00 0.00 56.93 56.21 2k4z s PHE 44 Cb 0.02 -1.56 0.02 0.00 0.51 0.00 0.00 43.02 42.01 2k4z s PHE 44 CO 0.20 0.04 0.64 0.34 0.70 0.00 0.00 175.22 177.15 2k4z s ASP 45 N -0.63 0.15 0.41 1.36 2.15 0.10 -4.83 116.67 115.38 2k4z s ASP 45 Ca 0.10 -1.08 0.00 0.00 0.43 0.00 0.00 52.55 51.99 2k4z s ASP 45 Cb -0.10 0.73 0.00 0.00 -0.30 0.00 0.00 42.92 43.25 2k4z s ASP 45 CO -0.00 -1.43 0.00 -0.67 -0.17 0.00 0.00 175.17 172.90 2k4z n ASP 46 N -1.03 0.00 -4.92 -0.34 -0.08 -1.26 -0.38 116.55 108.53 2k4z n ASP 46 Ca -0.04 -0.54 -0.22 0.00 -1.51 0.00 0.00 54.79 52.47 2k4z n ASP 46 Cb 0.60 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.04 2k4z n ASP 46 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2k4z s LEU 47 N 0.00 4.19 0.00 -2.67 1.43 -1.26 -4.77 118.68 115.60 2k4z s LEU 47 Ca 0.00 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 2k4z s LEU 47 Cb 0.00 -2.74 0.00 0.00 0.03 0.00 0.00 46.19 43.48 2k4z s LEU 47 CO 0.00 -0.03 0.00 0.35 0.23 0.00 0.00 176.35 176.90 2k4z n THR 48 N -1.13 0.00 0.31 5.49 -2.24 -1.26 -5.06 114.28 110.38 2k4z n THR 48 Ca -0.08 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.73 2k4z n THR 48 Cb 0.56 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.83 2k4z n THR 48 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2k4z n GLU 49 N 0.00 0.06 0.00 -0.78 4.07 -1.26 -4.58 120.64 118.15 2k4z n GLU 49 Ca 0.00 -0.95 0.06 0.00 -0.06 0.00 0.00 57.16 56.21 2k4z n GLU 49 Cb 0.00 -1.14 0.00 0.00 -0.06 0.00 0.00 31.44 30.24 2k4z n GLU 49 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2k4z n ASP 50 N 0.42 1.39 -4.79 4.31 2.03 -1.26 -5.00 116.55 113.65 2k4z n ASP 50 Ca 0.04 -1.19 -0.37 0.00 0.52 0.00 0.00 54.79 53.79 2k4z n ASP 50 Cb 0.19 0.45 -0.06 0.00 -0.72 0.00 0.00 41.12 40.98 2k4z n ASP 50 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2k4z s ASP 51 N -1.54 7.25 -0.14 1.67 -4.77 -1.26 -4.43 116.67 113.45 2k4z s ASP 51 Ca 0.10 1.62 -0.21 0.00 -3.30 0.00 0.00 52.55 50.77 2k4z s ASP 51 Cb 0.10 -2.50 -0.03 0.00 -1.09 0.00 0.00 42.92 39.40 2k4z s ASP 51 CO 0.30 0.05 0.62 -0.63 0.70 0.00 0.00 175.17 176.22 2k4z s ILE 52 N -1.45 5.06 -0.13 2.11 1.01 0.63 -4.87 121.20 123.56 2k4z s ILE 52 Ca 0.44 1.23 -0.01 0.00 0.00 0.00 0.00 60.65 62.30 2k4z s ILE 52 Cb -0.19 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.30 2k4z s ILE 52 CO 0.23 0.20 -0.09 -0.13 0.00 0.00 0.00 174.94 175.16 2k4z s ARG 53 N 1.29 3.38 -0.04 2.79 0.52 -1.26 -0.67 118.95 124.96 2k4z s ARG 53 Ca 0.31 -0.60 -0.02 0.00 -0.52 0.00 0.00 55.73 54.90 2k4z s ARG 53 Cb -0.16 -2.72 0.03 0.00 0.52 0.00 0.00 34.95 32.61 2k4z s ARG 53 CO 0.13 0.30 0.05 -0.48 0.02 0.00 0.00 175.30 175.32 2k4z s LEU 54 N 0.15 0.31 -0.15 2.53 2.34 0.34 -5.00 118.68 119.20 2k4z s LEU 54 Ca -0.04 0.06 -0.15 0.00 0.06 0.00 0.00 54.13 54.06 2k4z s LEU 54 Cb -0.14 -0.15 -0.04 0.00 -0.56 0.00 0.00 46.19 45.29 2k4z s LEU 54 CO 0.04 -0.23 0.36 -0.89 -1.06 0.00 0.00 176.35 174.57 2k4z s THR 55 N 1.99 5.26 0.06 5.48 2.01 -1.26 -1.08 115.64 128.10 2k4z s THR 55 Ca 0.03 0.69 -0.00 0.00 0.31 0.00 0.00 61.69 62.72 2k4z s THR 55 Cb -0.12 -3.70 0.01 0.00 0.01 0.00 0.00 72.50 68.70 2k4z s THR 55 CO -0.03 0.36 0.08 -1.20 -0.69 0.00 0.00 174.62 173.14 2k4z n SER 56 N 3.68 0.10 0.29 3.53 7.64 0.19 -4.97 113.62 124.09 2k4z n SER 56 Ca -0.10 -1.09 0.19 0.00 1.01 0.00 0.00 58.87 58.88 2k4z n SER 56 Cb 0.52 -0.05 0.83 0.00 -1.01 0.00 0.00 64.21 64.50 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 0.00 0.00 1.43 4.81 -1.98 -3.32 114.58 115.52 2k4z h GLU 57 Ca -0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2k4z h GLU 57 Cb 0.10 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 2k4z h GLU 57 CO 0.03 0.00 -0.12 0.41 -0.73 0.00 0.00 179.01 178.60 2k4z n GLY 58 N -0.27 0.87 2.90 1.92 0.00 -1.26 -5.11 105.19 104.24 2k4z n GLY 58 Ca -0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.07 -0.32 1.61 1.01 -1.25 -4.86 120.40 116.52 2k4z s VAL 59 Ca 0.01 0.20 -0.18 0.00 0.00 0.00 0.00 61.98 62.01 2k4z s VAL 59 Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 2k4z s VAL 59 CO -0.00 0.08 0.53 -0.70 0.00 0.00 0.00 175.10 175.01 2k4z s GLU 60 N 1.30 3.81 -0.18 2.72 2.56 -1.26 0.54 118.70 128.19 2k4z s GLU 60 Ca -0.08 0.06 -0.05 0.00 0.00 0.00 0.00 54.97 54.90 2k4z s GLU 60 Cb -0.12 -3.75 -0.03 0.00 2.00 0.00 0.00 34.13 32.24 2k4z s GLU 60 CO -0.06 -0.54 -0.00 0.42 -0.56 0.00 0.00 175.26 174.52 2k4z s ILE 61 N 2.41 4.11 -0.10 -3.70 1.01 -0.24 -1.35 121.20 123.34 2k4z s ILE 61 Ca 0.20 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.61 2k4z s ILE 61 Cb -0.15 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.50 2k4z s ILE 61 CO 0.12 0.46 -0.18 0.68 0.00 0.00 0.00 174.94 176.02 2k4z s VAL 62 N 0.57 1.67 -0.04 2.92 -7.23 0.02 -0.50 120.40 117.80 2k4z s VAL 62 Ca -0.01 -0.77 0.04 0.00 -1.81 0.00 0.00 61.98 59.43 2k4z s VAL 62 Cb -0.14 -1.48 -0.00 0.00 0.56 0.00 0.00 36.38 35.32 2k4z s VAL 62 CO 0.02 0.47 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.50 2k4z s ILE 63 N 0.65 1.27 0.24 -0.62 1.01 0.15 -2.09 121.20 121.80 2k4z s ILE 63 Ca -0.13 -0.62 -0.30 0.00 0.00 0.00 0.00 60.65 59.60 2k4z s ILE 63 Cb -0.16 -1.11 -0.09 0.00 0.01 0.00 0.00 42.46 41.11 2k4z s ILE 63 CO 0.04 0.37 1.20 0.00 0.00 0.00 0.00 174.94 176.55 2k4z s ALA 64 N 0.13 3.45 0.40 9.38 0.00 -1.26 -0.27 121.76 133.59 2k4z s ALA 64 Ca -0.05 1.00 0.19 0.00 0.00 0.00 0.00 51.96 53.10 2k4z s ALA 64 Cb -0.11 -3.41 1.12 0.00 0.00 0.00 0.00 23.12 20.72 2k4z s ALA 64 CO 0.02 -0.37 1.77 -1.35 0.00 0.00 0.00 175.76 175.83 2k4z h PRO 65 N 4.57 0.37 -0.07 0.00 0.11 -1.96 -0.12 132.00 134.89 2k4z h PRO 65 Ca -0.46 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.43 2k4z h PRO 65 Cb 1.21 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2k4z h PRO 65 CO 0.71 0.24 -0.78 0.22 -0.21 0.00 0.00 178.00 178.18 2k4z h ASP 66 N 0.38 0.57 1.37 -2.05 3.58 -1.97 -2.95 116.42 115.35 2k4z h ASP 66 Ca 0.60 -0.39 0.00 0.00 0.42 0.00 0.00 57.03 57.66 2k4z h ASP 66 Cb 1.53 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.41 2k4z h ASP 66 CO -0.29 1.15 0.00 1.88 -2.88 0.00 0.00 179.24 179.10 2k4z h TYR 67 N 0.31 0.00 -0.48 0.28 -1.99 -1.42 -2.74 116.97 110.92 2k4z h TYR 67 Ca -0.05 0.00 0.10 0.00 2.00 0.00 0.00 58.73 60.78 2k4z h TYR 67 Cb 1.38 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 40.09 2k4z h TYR 67 CO 0.05 0.00 0.33 0.28 -0.00 0.00 0.00 178.16 178.83 2k4z h VAL 68 N 0.00 0.87 0.00 -2.88 2.07 -1.21 0.74 116.25 115.83 2k4z h VAL 68 Ca 0.00 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 2k4z h VAL 68 Cb 0.68 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2k4z h VAL 68 CO 0.00 0.04 -0.00 0.28 0.02 0.00 0.00 177.57 177.91 2k4z h SER 69 N 0.22 0.00 0.00 0.57 0.02 -1.62 -1.14 113.55 111.60 2k4z h SER 69 Ca 0.22 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.05 2k4z h SER 69 Cb 0.59 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 2k4z h SER 69 CO -0.04 0.00 -1.48 0.18 -1.14 0.00 0.00 176.83 174.35 2k4z n LEU 70 N -3.10 1.28 -0.04 5.07 4.77 -0.23 -4.69 117.00 120.06 2k4z n LEU 70 Ca -0.03 -0.02 0.13 0.00 -0.03 0.00 0.00 56.01 56.06 2k4z n LEU 70 Cb 0.07 -0.03 0.35 0.00 -2.33 0.00 0.00 43.42 41.48 2k4z n LEU 70 CO 0.20 0.37 0.59 0.18 -1.33 0.00 0.00 177.39 177.40 2k4z n LEU 71 N -2.47 0.49 -4.83 2.23 4.77 0.09 -4.84 117.00 112.43 2k4z n LEU 71 Ca -0.13 0.04 -0.32 0.00 -0.03 0.00 0.00 56.01 55.57 2k4z n LEU 71 Cb 0.70 -0.27 -0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2k4z n LEU 71 CO 0.12 0.11 0.70 -0.62 -1.33 0.00 0.00 177.39 176.38 2k4z s ASP 72 N -2.90 6.12 0.00 -1.43 2.15 -0.45 -3.30 116.67 116.86 2k4z s ASP 72 Ca 0.15 1.63 0.00 0.00 0.43 0.00 0.00 52.55 54.76 2k4z s ASP 72 Cb 0.18 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 2k4z s ASP 72 CO 0.63 -0.93 0.00 0.00 -0.17 0.00 0.00 175.17 174.70 2k4z n GLN 73 N -2.12 -1.19 -3.21 4.34 6.02 -1.25 -4.86 117.38 115.11 2k4z n GLN 73 Ca 0.07 0.30 -0.39 0.00 -0.01 0.00 0.00 57.00 56.97 2k4z n GLN 73 Cb 0.54 -4.54 -0.06 0.00 1.02 0.00 0.00 30.24 27.20 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 -1.25 5.12 -0.09 5.09 2.01 -1.21 -4.77 115.64 120.54 2k4z s THR 74 Ca 0.00 1.10 -0.10 0.00 0.31 0.00 0.00 61.69 62.99 2k4z s THR 74 Cb 0.00 -3.89 -0.05 0.00 0.01 0.00 0.00 72.50 68.57 2k4z s THR 74 CO 0.00 0.25 0.24 -0.89 -0.69 0.00 0.00 174.62 173.53 2k4z s THR 75 N 1.06 5.32 -0.29 -0.82 2.01 -1.26 -0.78 115.64 120.88 2k4z s THR 75 Ca 0.28 0.45 -0.07 0.00 0.31 0.00 0.00 61.69 62.67 2k4z s THR 75 Cb -0.16 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.82 2k4z s THR 75 CO 0.12 0.57 0.08 -0.22 -0.69 0.00 0.00 174.62 174.48 2k4z s LEU 76 N -0.81 3.77 0.37 4.42 2.96 0.13 -0.21 118.68 129.32 2k4z s LEU 76 Ca 0.18 -0.62 0.07 0.00 -0.22 0.00 0.00 54.13 53.54 2k4z s LEU 76 Cb -0.14 -1.89 -0.07 0.00 0.50 0.00 0.00 46.19 44.59 2k4z s LEU 76 CO 0.07 -0.16 -0.00 -1.81 -1.32 0.00 0.00 176.35 173.12 2k4z s ASP 77 N 1.52 3.38 -0.06 3.68 1.01 -0.71 -2.51 116.67 122.99 2k4z s ASP 77 Ca 0.03 -1.33 0.03 0.00 0.71 0.00 0.00 52.55 52.00 2k4z s ASP 77 Cb -0.17 -0.29 0.01 0.00 1.01 0.00 0.00 42.92 43.48 2k4z s ASP 77 CO 0.03 -0.44 -0.15 -0.72 0.21 0.00 0.00 175.17 174.10 2k4z s TYR 78 N -2.86 1.64 0.05 4.23 1.13 -1.26 0.18 117.35 120.47 2k4z s TYR 78 Ca 0.34 -0.57 0.00 0.00 -1.41 0.00 0.00 57.07 55.43 2k4z s TYR 78 Cb 0.08 -1.15 -0.03 0.00 -1.10 0.00 0.00 41.96 39.75 2k4z s TYR 78 CO 0.17 -0.25 -0.04 0.14 -2.51 0.00 0.00 175.55 173.05 2k4z s VAL 79 N 0.42 0.33 -0.99 -3.49 -7.23 -0.38 -4.89 120.40 104.16 2k4z s VAL 79 Ca -0.12 -1.59 -0.19 0.00 -1.81 0.00 0.00 61.98 58.27 2k4z s VAL 79 Cb -0.14 -1.22 0.11 0.00 0.56 0.00 0.00 36.38 35.69 2k4z s VAL 79 CO 0.04 -0.82 1.26 -1.83 -0.31 0.00 0.00 175.10 173.44 2k4z s GLU 80 N -3.20 3.66 0.52 4.82 -1.05 -1.26 0.12 118.70 122.31 2k4z s GLU 80 Ca 0.02 -1.68 0.31 0.00 -0.15 0.00 0.00 54.97 53.47 2k4z s GLU 80 Cb 0.02 -5.07 1.16 0.00 -0.44 0.00 0.00 34.13 29.81 2k4z s GLU 80 CO -0.06 -1.90 1.91 -0.07 0.95 0.00 0.00 175.26 176.09 2k4z h LEU 81 N 11.04 0.00 -8.49 1.83 3.38 -1.89 -3.44 115.31 117.74 2k4z h LEU 81 Ca 0.19 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.73 2k4z h LEU 81 Cb 1.00 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.54 2k4z h LEU 81 CO 1.21 0.02 -0.78 -1.61 0.09 0.00 0.00 178.44 177.37 2k4z s GLU 82 N -3.59 0.91 -0.43 1.13 2.02 -1.22 -5.06 118.70 112.45 2k4z s GLU 82 Ca 0.02 -1.04 -0.32 0.00 0.02 0.00 0.00 54.97 53.65 2k4z s GLU 82 Cb 0.08 -0.93 -0.11 0.00 0.10 0.00 0.00 34.13 33.27 2k4z s GLU 82 CO 0.57 0.20 2.30 -2.30 0.02 0.00 0.00 175.26 176.05 2k4z n PRO 83 N 1.11 1.06 -0.78 0.39 -0.02 -1.26 -0.55 135.00 134.94 2k4z n PRO 83 Ca -0.20 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2k4z n PRO 83 Cb 0.55 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 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 6.35 0.86 3.13 -1.23 0.00 -1.26 -5.01 105.19 108.02 2k4z n GLY 84 Ca 0.42 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.22 2.46 -0.08 1.61 -0.21 0.29 -5.09 119.66 118.42 2k4z s GLN 85 Ca 0.00 -1.22 -0.21 0.00 0.02 0.00 0.00 55.36 53.95 2k4z s GLN 85 Cb 0.00 -2.97 -0.04 0.00 1.00 0.00 0.00 33.01 31.00 2k4z s GLN 85 CO 0.00 -0.53 0.61 -0.06 -2.12 0.00 0.00 175.29 173.19 2k4z s PHE 86 N 1.20 3.56 0.18 0.91 0.08 -1.26 -3.00 117.98 119.65 2k4z s PHE 86 Ca -0.05 1.11 0.10 0.00 0.12 0.00 0.00 56.93 58.21 2k4z s PHE 86 Cb -0.19 -2.70 -0.04 0.00 -0.57 0.00 0.00 43.02 39.52 2k4z s PHE 86 CO -0.04 0.13 -0.22 -1.01 -0.10 0.00 0.00 175.22 173.98 2k4z s HIS 87 N 0.68 2.11 -0.29 0.36 3.76 0.12 -4.90 115.29 117.12 2k4z s HIS 87 Ca 0.33 -0.40 -0.27 0.00 -0.15 0.00 0.00 55.06 54.57 2k4z s HIS 87 Cb -0.17 -1.04 0.01 0.00 1.11 0.00 0.00 32.58 32.49 2k4z s HIS 87 CO 0.15 0.43 0.95 -0.06 -0.85 0.00 0.00 174.74 175.36 2k4z s PHE 88 N -1.81 3.22 -0.08 1.40 0.08 -1.26 -1.24 117.98 118.28 2k4z s PHE 88 Ca 0.19 1.12 -0.01 0.00 0.12 0.00 0.00 56.93 58.35 2k4z s PHE 88 Cb -0.07 -3.39 -0.03 0.00 -0.57 0.00 0.00 43.02 38.96 2k4z s PHE 88 CO 0.09 -0.61 -0.04 0.96 -0.10 0.00 0.00 175.22 175.52 2k4z s ILE 89 N 3.25 3.95 -0.27 0.64 -4.36 0.13 -4.98 121.20 119.57 2k4z s ILE 89 Ca 0.40 -0.38 -0.15 0.00 -0.26 0.00 0.00 60.65 60.26 2k4z s ILE 89 Cb -0.14 -2.64 -0.04 0.00 1.25 0.00 0.00 42.46 40.89 2k4z s ILE 89 CO 0.12 0.59 0.37 -0.36 0.24 0.00 0.00 174.94 175.90 2k4z s PHE 90 N -0.72 3.25 0.42 1.37 0.40 -1.26 -1.74 117.98 119.69 2k4z s PHE 90 Ca 0.11 0.41 0.08 0.00 -0.60 0.00 0.00 56.93 56.94 2k4z s PHE 90 Cb -0.11 -2.57 0.90 0.00 0.51 0.00 0.00 43.02 41.75 2k4z s PHE 90 CO 0.02 -0.22 2.06 1.25 0.70 0.00 0.00 175.22 179.02 2k4z h LEU 91 N 8.57 0.44 -9.28 -0.37 5.85 -0.94 -3.41 115.31 116.16 2k4z h LEU 91 Ca -0.32 -0.01 -0.55 0.00 0.84 0.00 0.00 57.88 57.84 2k4z h LEU 91 Cb 1.16 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 2k4z h LEU 91 CO 0.64 0.31 0.87 0.21 -0.34 0.00 0.00 178.44 180.13 2k4z s ASN 92 N -6.65 6.88 1.44 1.25 2.47 -1.26 -4.93 114.94 114.14 2k4z s ASN 92 Ca -0.08 1.96 -0.23 0.00 0.42 0.00 0.00 52.86 54.93 2k4z s ASN 92 Cb 0.18 -2.55 0.37 0.00 -1.45 0.00 0.00 41.25 37.80 2k4z s ASN 92 CO 0.73 -0.74 0.91 -2.84 -3.72 0.00 0.00 177.10 171.44 2k4z s PRO 93 N 2.94 -3.07 0.00 0.43 0.02 -1.26 -4.95 135.00 129.11 2k4z s PRO 93 Ca 0.61 0.23 0.25 0.00 0.02 0.00 0.00 61.00 62.11 2k4z s PRO 93 Cb -0.28 -1.35 0.51 0.00 0.02 0.00 0.00 34.50 33.40 2k4z s PRO 93 CO 0.23 -4.99 1.42 0.54 -0.33 0.00 0.00 177.00 173.87 2k4z n ARG 94 N -5.73 1.59 0.23 5.54 1.74 -1.26 -4.79 116.66 113.98 2k4z n ARG 94 Ca 0.12 -1.15 0.00 0.00 -0.77 0.00 0.00 57.85 56.04 2k4z n ARG 94 Cb 0.60 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 2k4z n ARG 94 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2k4z n ASP 95 N 0.30 -3.92 -4.82 0.55 2.03 -1.26 -4.27 116.55 105.16 2k4z n ASP 95 Ca 0.14 0.89 -0.33 0.00 0.52 0.00 0.00 54.79 56.00 2k4z n ASP 95 Cb 0.45 3.65 -0.07 0.00 -0.72 0.00 0.00 41.12 44.43 2k4z n ASP 95 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2k4z s PRO 96 N -2.00 4.21 0.19 -0.67 0.05 -1.26 -5.05 135.00 130.47 2k4z s PRO 96 Ca 0.00 1.02 -0.27 0.00 0.05 0.00 0.00 61.00 61.81 2k4z s PRO 96 Cb 0.00 -2.32 -0.08 0.00 0.05 0.00 0.00 34.50 32.14 2k4z s PRO 96 CO 0.00 0.06 0.82 0.95 0.05 0.00 0.00 177.00 178.88 2k4z s THR 97 N -2.06 4.28 0.45 1.26 -4.23 -1.26 -4.44 115.64 109.64 2k4z s THR 97 Ca 0.58 1.82 0.31 0.00 -1.18 0.00 0.00 61.69 63.22 2k4z s THR 97 Cb -0.10 -4.20 0.34 0.00 1.34 0.00 0.00 72.50 69.88 2k4z s THR 97 CO 0.15 0.52 2.14 0.10 -0.54 0.00 0.00 174.62 176.99 2k4z h TYR 98 N 4.28 0.00 -3.76 3.99 -0.00 -1.96 -3.37 116.97 116.15 2k4z h TYR 98 Ca -0.46 0.00 -0.66 0.00 -0.00 0.00 0.00 58.73 57.60 2k4z h TYR 98 Cb 1.20 0.00 -0.19 0.00 -0.00 0.00 0.00 36.73 37.74 2k4z h TYR 98 CO 0.63 0.07 -0.52 0.50 -0.00 0.00 0.00 178.16 178.85 2k4z s ARG 99 N -4.21 3.63 0.29 0.10 3.52 -1.26 -5.08 118.95 115.94 2k4z s ARG 99 Ca -0.03 -0.54 -0.29 0.00 -0.13 0.00 0.00 55.73 54.74 2k4z s ARG 99 Cb 0.13 -3.69 -0.10 0.00 -1.56 0.00 0.00 34.95 29.74 2k4z s ARG 99 CO 0.55 -0.33 1.24 -1.25 -0.81 0.00 0.00 175.30 174.69 2k4z s PRO 100 N 1.71 4.46 0.32 5.12 0.04 -1.26 -4.94 135.00 140.44 2k4z s PRO 100 Ca 0.06 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.15 2k4z s PRO 100 Cb -0.17 -3.13 0.51 0.00 0.04 0.00 0.00 34.50 31.75 2k4z s PRO 100 CO 0.09 -0.06 1.94 -1.35 0.04 0.00 0.00 177.00 177.66 2k4z h PRO 101 N 3.88 0.89 -4.72 0.56 0.11 -1.98 -3.34 132.00 127.39 2k4z h PRO 101 Ca -0.47 -0.09 -0.70 0.00 0.11 0.00 0.00 66.00 64.84 2k4z h PRO 101 Cb 1.22 -0.18 -0.20 0.00 0.11 0.00 0.00 31.00 31.96 2k4z h PRO 101 CO 0.68 0.65 0.19 -1.12 -0.21 0.00 0.00 178.00 178.19 2k4z s SER 102 N -6.47 6.24 0.00 -2.05 0.01 -1.26 -4.93 113.70 105.23 2k4z s SER 102 Ca -0.10 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 55.66 2k4z s SER 102 Cb 0.17 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 64.09 2k4z s SER 102 CO 0.78 -1.11 0.00 0.61 0.41 0.00 0.00 173.24 173.93 2k4z n GLY 103 N 5.24 4.72 0.00 3.44 0.00 -1.26 -5.20 105.19 112.12 2k4z n GLY 103 Ca -0.06 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2k4z n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93