#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1le4 h ARG 25 N 0.00 0.40 -0.67 -1.09 3.08 -1.98 0.33 114.38 114.45 1le4 h ARG 25 Ca 0.00 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 1le4 h ARG 25 Cb 0.00 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1le4 h ARG 25 CO 0.00 0.47 0.12 0.11 -1.07 0.00 0.00 179.97 179.60 1le4 h TRP 26 N 0.24 1.15 -0.76 3.04 5.08 -1.90 -0.74 115.95 122.06 1le4 h TRP 26 Ca 0.08 -0.15 -0.00 0.00 1.08 0.00 0.00 58.89 59.89 1le4 h TRP 26 Cb 0.25 -0.32 -0.04 0.00 -3.00 0.00 0.00 29.16 26.05 1le4 h TRP 26 CO 0.01 0.96 0.46 0.93 -1.28 0.00 0.00 178.44 179.52 1le4 h GLU 27 N 1.02 1.03 0.00 0.12 5.08 -1.79 0.12 114.58 120.17 1le4 h GLU 27 Ca 0.20 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1le4 h GLU 27 Cb 0.42 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1le4 h GLU 27 CO 0.01 0.73 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.52 1le4 h LEU 28 N 1.04 0.00 0.13 1.33 4.07 0.21 0.24 115.31 122.32 1le4 h LEU 28 Ca 0.27 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 58.04 1le4 h LEU 28 Cb -0.04 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.72 1le4 h LEU 28 CO -0.05 0.16 -0.84 0.00 -1.08 0.00 0.00 178.44 176.63 1le4 h ALA 29 N 1.84 -0.07 -0.60 1.53 0.00 -0.51 -3.17 119.26 118.29 1le4 h ALA 29 Ca -0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 54.91 54.18 1le4 h ALA 29 Cb 0.65 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1le4 h ALA 29 CO 0.02 0.40 0.23 1.25 0.00 0.00 0.00 179.25 181.16 1le4 h LEU 30 N -0.27 0.83 -1.33 0.00 5.85 -0.60 -2.29 115.31 117.51 1le4 h LEU 30 Ca -0.14 -0.17 0.23 0.00 0.84 0.00 0.00 57.88 58.64 1le4 h LEU 30 Cb 1.63 -0.22 -0.09 0.00 0.37 0.00 0.00 40.66 42.36 1le4 h LEU 30 CO 0.16 0.78 0.64 1.23 -0.34 0.00 0.00 178.44 180.90 1le4 h GLY 31 N 0.83 1.24 1.94 3.75 0.00 -1.02 0.27 103.07 110.07 1le4 h GLY 31 Ca 0.20 -0.23 -0.20 0.00 0.00 0.00 0.00 47.33 47.09 1le4 h GLY 31 CO -0.02 -0.08 -0.95 3.21 0.00 0.00 0.00 176.54 178.70 1le4 h ARG 32 N 0.48 0.05 -0.18 4.80 3.08 -1.47 0.15 114.38 121.29 1le4 h ARG 32 Ca 0.56 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.51 1le4 h ARG 32 Cb 1.28 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 1le4 h ARG 32 CO -0.28 0.96 0.04 0.35 -1.07 0.00 0.00 179.97 179.97 1le4 h PHE 33 N 0.02 0.30 -0.06 3.04 3.57 -0.37 -2.91 116.94 120.53 1le4 h PHE 33 Ca -0.03 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1le4 h PHE 33 Cb 1.65 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 40.31 1le4 h PHE 33 CO 0.01 0.41 0.03 2.35 -2.23 0.00 0.00 178.31 178.88 1le4 h TRP 34 N 0.10 0.09 -1.01 0.41 2.91 -0.54 -2.37 115.95 115.53 1le4 h TRP 34 Ca 0.06 -0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.14 1le4 h TRP 34 Cb 0.26 -0.03 -0.07 0.00 -0.51 0.00 0.00 29.16 28.82 1le4 h TRP 34 CO 0.01 0.19 0.65 -0.44 -1.03 0.00 0.00 178.44 177.82 1le4 h ASP 35 N -0.04 1.04 -0.55 2.65 3.32 -0.79 -0.47 116.42 121.58 1le4 h ASP 35 Ca 0.02 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1le4 h ASP 35 Cb 0.13 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1le4 h ASP 35 CO -0.00 0.66 0.01 0.22 -1.72 0.00 0.00 179.24 178.41 1le4 h TYR 36 N 1.18 1.04 -0.56 4.55 5.03 -1.37 -1.95 116.97 124.89 1le4 h TYR 36 Ca 0.44 -0.18 -0.09 0.00 2.58 0.00 0.00 58.73 61.48 1le4 h TYR 36 Cb 0.18 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 38.17 1le4 h TYR 36 CO -0.00 0.94 0.01 1.25 -1.32 0.00 0.00 178.16 179.04 1le4 h LEU 37 N 0.84 0.93 -0.90 2.82 5.85 -0.90 -0.00 115.31 123.95 1le4 h LEU 37 Ca 0.16 -0.25 0.10 0.00 0.84 0.00 0.00 57.88 58.72 1le4 h LEU 37 Cb 0.52 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 1le4 h LEU 37 CO 0.03 0.99 0.54 -0.09 -0.34 0.00 0.00 178.44 179.56 1le4 h ARG 38 N 0.89 0.88 0.30 1.25 2.43 -0.73 0.15 114.38 119.54 1le4 h ARG 38 Ca 0.16 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1le4 h ARG 38 Cb 0.51 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1le4 h ARG 38 CO 0.02 0.58 -0.14 2.35 -1.51 0.00 0.00 179.97 181.27 1le4 h TRP 39 N 0.90 -0.37 -1.02 2.20 7.01 -0.53 -2.84 115.95 121.30 1le4 h TRP 39 Ca 0.43 -0.01 0.25 0.00 2.11 0.00 0.00 58.89 61.67 1le4 h TRP 39 Cb 0.36 0.12 -0.11 0.00 -2.10 0.00 0.00 29.16 27.43 1le4 h TRP 39 CO -0.04 -0.03 0.62 0.28 -2.79 0.00 0.00 178.44 176.49 1le4 h VAL 40 N -0.80 0.54 -0.22 2.65 2.07 -0.77 -0.36 116.25 119.35 1le4 h VAL 40 Ca -0.04 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.33 1le4 h VAL 40 Cb 0.51 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1le4 h VAL 40 CO 0.07 0.10 0.15 -0.61 0.02 0.00 0.00 177.57 177.30 1le4 h GLN 41 N 0.53 0.16 0.00 1.57 5.75 -0.47 -1.42 115.11 121.24 1le4 h GLN 41 Ca 0.63 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 59.12 1le4 h GLN 41 Cb 1.30 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.81 1le4 h GLN 41 CO -0.41 0.11 0.00 1.79 -2.65 0.00 0.00 178.83 177.66 1le4 h THR 42 N 0.17 0.00 -6.70 2.39 1.35 -0.91 -3.47 112.91 105.74 1le4 h THR 42 Ca 0.10 -0.36 -0.54 0.00 -0.55 0.00 0.00 66.41 65.06 1le4 h THR 42 Cb 0.18 1.32 -0.17 0.00 -1.73 0.00 0.00 68.15 67.75 1le4 h THR 42 CO -0.02 0.00 -0.86 0.18 -0.25 0.00 0.00 175.52 174.58 1le4 n LEU 43 N -3.00 -1.81 -4.40 3.87 4.32 -0.53 -4.97 117.00 110.48 1le4 n LEU 43 Ca -0.00 -1.02 -0.30 0.00 -0.02 0.00 0.00 56.01 54.66 1le4 n LEU 43 Cb 0.24 -2.10 0.27 0.00 -1.62 0.00 0.00 43.42 40.21 1le4 n LEU 43 CO 0.24 0.34 0.47 -0.94 -1.22 0.00 0.00 177.39 176.29 1le4 s SER 44 N -3.64 -0.26 0.27 -1.43 1.04 -1.26 -4.67 113.70 103.74 1le4 s SER 44 Ca 0.50 0.95 -0.03 0.00 0.48 0.00 0.00 55.95 57.85 1le4 s SER 44 Cb -0.27 -1.38 0.35 0.00 0.10 0.00 0.00 66.02 64.81 1le4 s SER 44 CO 0.92 -4.88 1.86 -0.33 0.98 0.00 0.00 173.24 171.79 1le4 h GLU 45 N -3.09 1.02 0.02 4.02 4.39 -1.98 -1.29 114.58 117.67 1le4 h GLU 45 Ca -0.48 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.07 1le4 h GLU 45 Cb 1.33 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1le4 h GLU 45 CO 0.35 0.80 -0.01 1.96 -1.16 0.00 0.00 179.01 180.95 1le4 h GLN 46 N 1.01 -0.03 -0.03 2.33 1.08 -1.99 -0.74 115.11 116.76 1le4 h GLN 46 Ca 0.24 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.47 1le4 h GLN 46 Cb 0.13 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.51 1le4 h GLN 46 CO -0.03 0.34 -0.47 0.28 -0.95 0.00 0.00 178.83 177.99 1le4 h VAL 47 N -0.39 0.08 -0.42 -0.54 2.07 -1.80 -0.35 116.25 114.90 1le4 h VAL 47 Ca -0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1le4 h VAL 47 Cb 0.37 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1le4 h VAL 47 CO 0.00 0.00 0.39 1.56 0.02 0.00 0.00 177.57 179.55 1le4 h GLN 48 N -0.61 0.00 0.17 1.57 4.20 -1.20 0.72 115.11 119.95 1le4 h GLN 48 Ca 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1le4 h GLN 48 Cb 0.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1le4 h GLN 48 CO -0.35 0.00 -0.08 0.93 -0.67 0.00 0.00 178.83 178.66 1le4 h GLU 49 N 0.00 -0.22 0.00 1.46 4.39 0.22 -3.23 114.58 117.20 1le4 h GLU 49 Ca 0.20 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1le4 h GLU 49 Cb 0.98 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 1le4 h GLU 49 CO -0.00 0.15 0.00 0.93 -1.16 0.00 0.00 179.01 178.93 1le4 h GLU 50 N -0.95 0.00 0.00 2.33 5.08 0.35 -2.65 114.58 118.74 1le4 h GLU 50 Ca -0.02 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1le4 h GLU 50 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1le4 h GLU 50 CO 0.04 0.00 -0.43 -0.07 -1.00 0.00 0.00 179.01 177.55 1le4 h LEU 51 N 0.00 0.00 -0.34 1.33 3.38 0.36 -3.09 115.31 116.94 1le4 h LEU 51 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1le4 h LEU 51 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1le4 h LEU 51 CO 0.00 0.43 -0.57 0.18 0.09 0.00 0.00 178.44 178.57 1le4 n LEU 52 N -3.30 1.11 0.00 1.67 4.77 -1.00 -4.59 117.00 115.65 1le4 n LEU 52 Ca 0.01 -0.37 -0.01 0.00 -0.03 0.00 0.00 56.01 55.62 1le4 n LEU 52 Cb 0.65 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1le4 n LEU 52 CO 0.39 0.23 0.02 -1.54 -1.33 0.00 0.00 177.39 175.16 1le4 n SER 53 N -0.96 0.08 -0.72 -1.43 3.41 -1.21 -4.98 113.62 107.79 1le4 n SER 53 Ca 0.08 -1.06 0.06 0.00 -0.26 0.00 0.00 58.87 57.69 1le4 n SER 53 Cb 0.37 -0.02 0.17 0.00 -0.26 0.00 0.00 64.21 64.47 1le4 n SER 53 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1le4 n SER 54 N -2.98 2.10 0.11 4.04 3.41 -1.26 -4.55 113.62 114.48 1le4 n SER 54 Ca 0.01 -2.02 -0.13 0.00 -0.26 0.00 0.00 58.87 56.47 1le4 n SER 54 Cb 0.02 -0.27 -0.07 0.00 -0.26 0.00 0.00 64.21 63.64 1le4 n SER 54 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1le4 h GLN 55 N 2.24 -0.24 0.08 4.33 4.15 -1.91 -1.10 115.11 122.66 1le4 h GLN 55 Ca 0.00 0.02 -0.25 0.00 0.77 0.00 0.00 58.65 59.18 1le4 h GLN 55 Cb 0.54 0.05 0.02 0.00 0.21 0.00 0.00 27.48 28.31 1le4 h GLN 55 CO 0.01 -0.16 -1.05 -0.39 -1.93 0.00 0.00 178.83 175.31 1le4 h VAL 56 N -0.25 1.34 -0.76 2.39 -1.51 -1.78 -1.20 116.25 114.48 1le4 h VAL 56 Ca -0.00 -2.37 0.11 0.00 -1.23 0.00 0.00 66.70 63.21 1le4 h VAL 56 Cb 0.23 2.70 -0.05 0.00 -2.13 0.00 0.00 31.29 32.03 1le4 h VAL 56 CO -0.01 0.71 0.50 0.71 -1.23 0.00 0.00 177.57 178.25 1le4 h THR 57 N 0.14 0.90 -0.18 7.19 1.35 -1.86 0.27 112.91 120.73 1le4 h THR 57 Ca -0.15 -0.21 -0.13 0.00 -0.55 0.00 0.00 66.41 65.37 1le4 h THR 57 Cb 1.74 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1le4 h THR 57 CO 0.20 0.11 -0.39 -0.61 -0.25 0.00 0.00 175.52 174.58 1le4 h GLN 58 N 0.61 0.58 -0.37 4.72 5.75 -1.18 -0.72 115.11 124.51 1le4 h GLN 58 Ca 0.36 -0.39 -0.10 0.00 -0.15 0.00 0.00 58.65 58.37 1le4 h GLN 58 Cb 0.56 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.15 1le4 h GLN 58 CO -0.13 1.00 -0.16 0.93 -2.65 0.00 0.00 178.83 177.82 1le4 h GLU 59 N 0.24 0.77 -0.77 1.69 5.08 -0.34 -1.95 114.58 119.30 1le4 h GLU 59 Ca 0.00 -0.33 0.10 0.00 -1.00 0.00 0.00 59.36 58.13 1le4 h GLU 59 Cb 0.99 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.14 1le4 h GLU 59 CO 0.09 0.94 0.41 -0.07 -1.00 0.00 0.00 179.01 179.38 1le4 h LEU 60 N 0.56 0.56 0.07 1.33 3.38 -0.52 -2.59 115.31 118.11 1le4 h LEU 60 Ca 0.09 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1le4 h LEU 60 Cb 0.70 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1le4 h LEU 60 CO 0.05 0.31 -0.03 -0.09 0.09 0.00 0.00 178.44 178.77 1le4 h ARG 61 N 0.69 -0.09 -0.92 1.13 1.12 -0.80 -1.65 114.38 113.85 1le4 h ARG 61 Ca 0.38 0.01 0.10 0.00 -1.11 0.00 0.00 59.98 59.36 1le4 h ARG 61 Cb 0.39 0.02 -0.07 0.00 -0.01 0.00 0.00 29.97 30.31 1le4 h ARG 61 CO -0.27 -0.05 0.59 0.00 -3.11 0.00 0.00 179.97 177.13 1le4 h ALA 62 N 0.82 1.61 -0.01 2.80 0.00 -1.18 -1.90 119.26 121.40 1le4 h ALA 62 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1le4 h ALA 62 Cb 0.08 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1le4 h ALA 62 CO 0.02 0.19 -0.97 -0.07 0.00 0.00 0.00 179.25 178.42 1le4 h LEU 63 N 0.92 0.73 -0.37 0.00 -0.00 -1.04 -2.07 115.31 113.48 1le4 h LEU 63 Ca 0.43 -0.57 0.03 0.00 -0.00 0.00 0.00 57.88 57.78 1le4 h LEU 63 Cb 0.43 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 40.83 1le4 h LEU 63 CO -0.20 1.37 0.16 -0.03 -0.00 0.00 0.00 178.44 179.74 1le4 h MET 64 N 0.33 0.32 -0.26 1.13 1.85 -1.17 -1.50 114.93 115.63 1le4 h MET 64 Ca -0.10 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 58.97 1le4 h MET 64 Cb 1.61 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 33.55 1le4 h MET 64 CO 0.18 0.21 0.17 -0.44 -0.40 0.00 0.00 176.91 176.63 1le4 h ASP 65 N 0.33 0.31 -0.16 1.39 5.19 -1.31 -0.88 116.42 121.30 1le4 h ASP 65 Ca 0.16 -0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.50 1le4 h ASP 65 Cb 0.10 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.52 1le4 h ASP 65 CO -0.13 0.25 -0.01 -0.08 -3.12 0.00 0.00 179.24 176.14 1le4 h GLU 66 N 0.34 0.42 -0.38 3.56 4.81 -1.31 0.49 114.58 122.51 1le4 h GLU 66 Ca 0.09 -0.08 -0.15 0.00 -0.13 0.00 0.00 59.36 59.10 1le4 h GLU 66 Cb -0.01 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1le4 h GLU 66 CO -0.02 0.46 -0.34 1.15 -0.73 0.00 0.00 179.01 179.52 1le4 h THR 67 N 0.41 1.28 -0.15 0.32 2.02 -0.66 -1.53 112.91 114.60 1le4 h THR 67 Ca 0.09 -1.52 -0.03 0.00 0.77 0.00 0.00 66.41 65.73 1le4 h THR 67 Cb 0.29 1.39 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1le4 h THR 67 CO 0.01 0.50 -0.02 0.24 0.37 0.00 0.00 175.52 176.62 1le4 h MET 68 N 0.71 0.28 -0.19 6.66 2.86 -0.85 0.32 114.93 124.71 1le4 h MET 68 Ca 0.06 -0.10 0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1le4 h MET 68 Cb 0.93 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.50 1le4 h MET 68 CO 0.09 0.54 -0.47 -0.22 1.06 0.00 0.00 176.91 177.90 1le4 h LYS 69 N -0.01 -0.47 -0.20 1.72 3.64 -0.92 0.40 116.57 120.72 1le4 h LYS 69 Ca 0.04 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1le4 h LYS 69 Cb 0.43 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1le4 h LYS 69 CO 0.01 -0.32 -0.09 0.93 -2.27 0.00 0.00 179.45 177.72 1le4 h GLU 70 N -0.49 0.31 -0.29 1.90 4.39 -1.26 -2.47 114.58 116.67 1le4 h GLU 70 Ca 0.07 -0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 1le4 h GLU 70 Cb 0.64 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1le4 h GLU 70 CO -0.45 0.41 -0.34 1.25 -1.16 0.00 0.00 179.01 178.71 1le4 h LEU 71 N 0.30 0.80 0.44 1.33 5.85 0.28 -1.88 115.31 122.42 1le4 h LEU 71 Ca 0.06 -0.49 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 1le4 h LEU 71 Cb 0.34 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1le4 h LEU 71 CO 0.02 1.13 -0.21 0.50 -0.34 0.00 0.00 178.44 179.54 1le4 h LYS 72 N 0.49 -0.57 -0.89 1.25 1.63 -0.80 -1.87 116.57 115.81 1le4 h LYS 72 Ca 0.04 0.04 0.14 0.00 -0.85 0.00 0.00 60.65 60.02 1le4 h LYS 72 Cb 0.93 0.13 -0.09 0.00 -0.60 0.00 0.00 32.23 32.59 1le4 h LYS 72 CO 0.08 -0.33 0.50 0.00 -3.45 0.00 0.00 179.45 176.25 1le4 h ALA 73 N -0.13 1.36 -0.27 5.00 0.00 -1.50 -0.67 119.26 123.06 1le4 h ALA 73 Ca -0.06 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1le4 h ALA 73 Cb 0.49 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1le4 h ALA 73 CO 0.10 -0.01 0.07 -0.92 0.00 0.00 0.00 179.25 178.48 1le4 h TYR 74 N 0.72 0.45 -0.40 0.00 3.20 -0.59 -1.53 116.97 118.83 1le4 h TYR 74 Ca 0.48 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 62.25 1le4 h TYR 74 Cb 0.63 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 1le4 h TYR 74 CO -0.06 0.50 0.08 -0.22 -1.64 0.00 0.00 178.16 176.82 1le4 h LYS 75 N 0.26 0.66 -0.51 1.82 3.11 -0.96 0.56 116.57 121.51 1le4 h LYS 75 Ca 0.08 -0.17 0.07 0.00 -2.81 0.00 0.00 60.65 57.82 1le4 h LYS 75 Cb 0.28 -0.08 -0.06 0.00 -1.00 0.00 0.00 32.23 31.37 1le4 h LYS 75 CO 0.00 0.70 0.19 1.03 -2.81 0.00 0.00 179.45 178.56 1le4 h SER 76 N 0.51 0.20 1.38 4.20 0.87 -1.00 -0.32 113.55 119.38 1le4 h SER 76 Ca 0.12 0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.70 1le4 h SER 76 Cb 0.35 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 1le4 h SER 76 CO 0.01 0.14 -0.22 -0.33 -0.53 0.00 0.00 176.83 175.90 1le4 h GLU 77 N 0.37 0.00 0.00 2.24 5.08 -1.03 -3.10 114.58 118.14 1le4 h GLU 77 Ca 0.25 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.50 1le4 h GLU 77 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1le4 h GLU 77 CO -0.24 0.22 -0.53 -0.07 -1.00 0.00 0.00 179.01 177.39 1le4 h LEU 78 N 0.00 0.00 0.00 1.33 3.38 0.69 -3.19 115.31 117.52 1le4 h LEU 78 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1le4 h LEU 78 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1le4 h LEU 78 CO 0.03 0.53 0.00 -0.62 0.09 0.00 0.00 178.44 178.46 1le4 n GLU 79 N -3.90 0.44 -0.01 1.13 1.02 -0.31 -1.56 120.64 117.45 1le4 n GLU 79 Ca -0.01 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.95 1le4 n GLU 79 Cb 0.54 -1.03 -0.14 0.00 -0.02 0.00 0.00 31.44 30.79 1le4 n GLU 79 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1le4 n GLU 80 N -0.53 0.72 0.25 3.49 4.71 -1.21 -4.57 120.64 123.50 1le4 n GLU 80 Ca 0.01 0.26 0.11 0.00 -0.01 0.00 0.00 57.16 57.52 1le4 n GLU 80 Cb 0.00 -1.72 0.64 0.00 -1.01 0.00 0.00 31.44 29.36 1le4 n GLU 80 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 1le4 h GLN 81 N 0.05 0.00 -6.83 3.49 7.50 -1.50 -3.48 115.11 114.34 1le4 h GLN 81 Ca -0.40 0.00 -0.52 0.00 0.50 0.00 0.00 58.65 58.23 1le4 h GLN 81 Cb 2.03 0.00 0.05 0.00 0.05 0.00 0.00 27.48 29.60 1le4 h GLN 81 CO 0.08 0.16 0.59 -0.51 -1.50 0.00 0.00 178.83 177.65 1le4 s LEU 82 N -7.42 4.46 -1.07 1.46 1.43 -1.25 -5.03 118.68 111.27 1le4 s LEU 82 Ca -0.03 2.53 -0.15 0.00 -1.03 0.00 0.00 54.13 55.46 1le4 s LEU 82 Cb 0.13 -3.64 0.18 0.00 0.03 0.00 0.00 46.19 42.89 1le4 s LEU 82 CO 0.61 -0.42 1.22 0.42 0.23 0.00 0.00 176.35 178.42 1le4 s THR 83 N -0.99 5.15 -0.67 5.49 -4.23 -1.26 -4.95 115.64 114.18 1le4 s THR 83 Ca 0.49 -2.42 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 1le4 s THR 83 Cb -0.37 -4.78 0.01 0.00 1.34 0.00 0.00 72.50 68.70 1le4 s THR 83 CO 0.48 -1.46 0.68 -0.81 -0.54 0.00 0.00 174.62 172.97 1le4 n PRO 84 N 5.29 1.05 0.00 3.99 -0.04 -1.26 -4.63 135.00 139.39 1le4 n PRO 84 Ca 0.28 -0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1le4 n PRO 84 Cb 0.45 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1le4 n PRO 84 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1le4 n VAL 85 N 0.16 0.47 -1.41 0.52 0.24 -1.26 -0.71 118.33 116.34 1le4 n VAL 85 Ca 0.01 0.19 -0.03 0.00 -2.04 0.00 0.00 64.34 62.47 1le4 n VAL 85 Cb 0.35 -1.19 0.20 0.00 -1.47 0.00 0.00 33.84 31.73 1le4 n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1le4 n ALA 86 N -1.00 4.13 -0.19 2.33 0.00 -1.26 -5.07 120.51 119.44 1le4 n ALA 86 Ca 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 53.44 50.38 1le4 n ALA 86 Cb 0.07 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1le4 n ALA 86 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1le4 n GLU 87 N -1.08 0.00 0.00 0.00 2.13 0.11 -3.17 120.64 118.63 1le4 n GLU 87 Ca 0.31 0.00 0.01 0.00 0.66 0.00 0.00 57.16 58.14 1le4 n GLU 87 Cb 1.00 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.78 1le4 n GLU 87 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1le4 n GLU 88 N 8.94 0.42 -0.00 5.31 4.07 -1.26 -1.90 120.64 136.22 1le4 n GLU 88 Ca 0.00 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.02 1le4 n GLU 88 Cb 0.00 -1.08 0.09 0.00 -0.06 0.00 0.00 31.44 30.39 1le4 n GLU 88 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 1le4 h THR 89 N 0.00 1.31 0.00 6.31 2.02 -1.90 -2.99 112.91 117.65 1le4 h THR 89 Ca 0.00 -1.66 -0.00 0.00 0.77 0.00 0.00 66.41 65.52 1le4 h THR 89 Cb 0.00 1.64 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1le4 h THR 89 CO 0.00 0.52 -0.02 -0.09 0.37 0.00 0.00 175.52 176.30 1le4 h ARG 90 N 0.45 0.00 0.37 6.66 2.43 -1.67 0.16 114.38 122.78 1le4 h ARG 90 Ca 0.03 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1le4 h ARG 90 Cb 0.98 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1le4 h ARG 90 CO 0.09 0.02 -0.18 0.00 -1.51 0.00 0.00 179.97 178.39 1le4 h ALA 91 N 1.98 -0.50 -0.69 2.80 0.00 -1.77 0.12 119.26 121.21 1le4 h ALA 91 Ca -0.00 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.81 1le4 h ALA 91 Cb 0.05 0.19 -0.11 0.00 0.00 0.00 0.00 17.79 17.92 1le4 h ALA 91 CO 0.00 -0.59 -0.50 -0.09 0.00 0.00 0.00 179.25 178.07 1le4 h ARG 92 N -0.87 -0.18 -0.76 0.00 2.43 -1.15 -0.53 114.38 113.32 1le4 h ARG 92 Ca -0.05 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.24 1le4 h ARG 92 Cb 0.54 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.05 1le4 h ARG 92 CO 0.08 -0.12 0.38 -0.07 -1.51 0.00 0.00 179.97 178.73 1le4 h LEU 93 N -0.19 0.47 0.11 3.80 3.38 -0.70 -0.69 115.31 121.50 1le4 h LEU 93 Ca 0.16 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1le4 h LEU 93 Cb 0.54 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1le4 h LEU 93 CO -0.76 0.25 -0.05 -1.28 0.09 0.00 0.00 178.44 176.68 1le4 h SER 94 N 0.61 -0.13 0.00 -0.43 0.87 0.54 -0.85 113.55 114.17 1le4 h SER 94 Ca 0.39 -0.40 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1le4 h SER 94 Cb 0.47 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1le4 h SER 94 CO -0.31 0.38 -0.00 0.50 -0.53 0.00 0.00 176.83 176.87 1le4 h LYS 95 N -0.69 0.00 0.06 2.24 3.64 -0.89 0.42 116.57 121.34 1le4 h LYS 95 Ca -0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1le4 h LYS 95 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1le4 h LYS 95 CO 0.03 0.00 -0.03 0.93 -2.27 0.00 0.00 179.45 178.11 1le4 h GLU 96 N 0.00 -0.08 -0.38 1.90 5.08 -1.07 -2.97 114.58 117.07 1le4 h GLU 96 Ca -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1le4 h GLU 96 Cb 0.00 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1le4 h GLU 96 CO 0.00 0.42 0.25 1.25 -1.00 0.00 0.00 179.01 179.93 1le4 h LEU 97 N -0.62 0.43 -1.13 1.33 6.46 0.60 -0.65 115.31 121.73 1le4 h LEU 97 Ca -0.01 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1le4 h LEU 97 Cb 0.53 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.36 1le4 h LEU 97 CO 0.01 0.31 -0.00 1.56 -0.62 0.00 0.00 178.44 179.70 1le4 h GLN 98 N 0.51 0.00 0.10 1.25 1.08 -0.33 -2.15 115.11 115.57 1le4 h GLN 98 Ca 0.14 0.00 -0.36 0.00 -1.45 0.00 0.00 58.65 56.98 1le4 h GLN 98 Cb -0.05 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 1le4 h GLN 98 CO -0.03 0.00 -1.99 0.00 -0.95 0.00 0.00 178.83 175.87 1le4 n ALA 99 N -2.09 1.00 -0.29 3.87 0.00 -0.42 -2.23 120.51 120.35 1le4 n ALA 99 Ca 0.01 -0.64 0.10 0.00 0.00 0.00 0.00 53.44 52.91 1le4 n ALA 99 Cb 0.36 -0.67 0.26 0.00 0.00 0.00 0.00 19.45 19.39 1le4 n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1le4 h ALA 100 N 0.21 1.31 -0.32 0.00 0.00 -1.13 0.12 119.26 119.45 1le4 h ALA 100 Ca -0.41 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1le4 h ALA 100 Cb 2.03 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.90 1le4 h ALA 100 CO 0.08 -0.25 0.05 1.96 0.00 0.00 0.00 179.25 181.09 1le4 h GLN 101 N 0.47 0.54 -0.22 0.00 4.20 -1.45 -2.56 115.11 116.07 1le4 h GLN 101 Ca 0.50 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 59.05 1le4 h GLN 101 Cb 0.86 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 1le4 h GLN 101 CO -0.46 0.62 0.03 0.00 -0.67 0.00 0.00 178.83 178.35 1le4 h ALA 102 N 0.89 1.64 -0.04 3.87 0.00 -0.88 -2.77 119.26 121.97 1le4 h ALA 102 Ca 0.10 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1le4 h ALA 102 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1le4 h ALA 102 CO 0.01 0.28 -0.01 0.00 0.00 0.00 0.00 179.25 179.52 1le4 h ARG 103 N 0.32 -0.00 -0.36 0.00 3.08 -0.40 -1.48 114.38 115.54 1le4 h ARG 103 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1le4 h ARG 103 Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1le4 h ARG 103 CO 0.00 -0.00 0.23 1.25 -1.07 0.00 0.00 179.97 180.38 1le4 h LEU 104 N -0.00 0.40 -0.47 3.04 5.85 -1.30 -0.86 115.31 121.98 1le4 h LEU 104 Ca 0.02 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1le4 h LEU 104 Cb 0.04 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1le4 h LEU 104 CO -0.05 0.29 0.14 1.23 -0.34 0.00 0.00 178.44 179.71 1le4 h GLY 105 N 0.48 0.80 0.91 3.75 0.00 -1.39 -1.72 103.07 105.89 1le4 h GLY 105 Ca 0.13 -0.48 0.02 0.00 0.00 0.00 0.00 47.33 47.00 1le4 h GLY 105 CO -0.03 0.45 0.32 0.00 0.00 0.00 0.00 176.54 177.27 1le4 h ALA 106 N 1.00 0.66 -0.09 3.60 0.00 -0.88 -1.44 119.26 122.11 1le4 h ALA 106 Ca 0.15 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1le4 h ALA 106 Cb 0.29 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1le4 h ALA 106 CO -0.00 0.03 -0.29 -0.44 0.00 0.00 0.00 179.25 178.54 1le4 h ASP 107 N 0.63 -0.90 -0.93 0.00 3.32 -0.94 0.16 116.42 117.75 1le4 h ASP 107 Ca 0.20 0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.45 1le4 h ASP 107 Cb -0.00 0.38 -0.07 0.00 0.22 0.00 0.00 39.33 39.86 1le4 h ASP 107 CO -0.08 -0.35 0.59 0.24 -1.72 0.00 0.00 179.24 177.92 1le4 h MET 108 N -0.39 1.02 0.00 3.56 2.86 -1.27 -1.52 114.93 119.20 1le4 h MET 108 Ca 0.09 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.58 1le4 h MET 108 Cb 0.52 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1le4 h MET 108 CO -0.31 0.68 -0.41 0.93 1.06 0.00 0.00 176.91 178.86 1le4 h GLU 109 N 1.06 0.00 -0.27 1.72 4.39 -0.82 -2.66 114.58 118.00 1le4 h GLU 109 Ca 0.41 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.97 1le4 h GLU 109 Cb 0.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1le4 h GLU 109 CO -0.18 0.41 -0.42 -0.44 -1.16 0.00 0.00 179.01 177.22 1le4 h ASP 110 N 0.00 0.70 0.25 1.42 5.19 0.33 -1.81 116.42 122.49 1le4 h ASP 110 Ca -0.00 -0.32 -0.01 0.00 -0.62 0.00 0.00 57.03 56.07 1le4 h ASP 110 Cb 0.86 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.18 1le4 h ASP 110 CO 0.05 1.03 -0.12 0.58 -3.12 0.00 0.00 179.24 177.66 1le4 h VAL 111 N 0.53 0.81 -0.85 -1.35 2.07 -1.43 -0.08 116.25 115.95 1le4 h VAL 111 Ca 0.04 -0.50 0.13 0.00 0.82 0.00 0.00 66.70 67.19 1le4 h VAL 111 Cb 0.95 1.09 -0.09 0.00 -1.52 0.00 0.00 31.29 31.72 1le4 h VAL 111 CO 0.09 0.11 0.46 -0.09 0.02 0.00 0.00 177.57 178.15 1le4 h ARG 112 N -0.60 0.68 0.00 1.57 2.43 -1.41 0.20 114.38 117.25 1le4 h ARG 112 Ca -0.03 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.00 1le4 h ARG 112 Cb 0.43 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1le4 h ARG 112 CO 0.06 0.45 -0.46 0.78 -1.51 0.00 0.00 179.97 179.29 1le4 h GLY 113 N 0.70 0.00 1.29 2.80 0.00 -1.23 -0.53 103.07 106.10 1le4 h GLY 113 Ca 0.44 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.60 1le4 h GLY 113 CO -0.32 0.00 -0.55 -0.09 0.00 0.00 0.00 176.54 175.59 1le4 h ARG 114 N 0.00 0.75 -0.79 4.80 9.65 0.13 -1.73 114.38 127.18 1le4 h ARG 114 Ca -0.00 -0.47 -0.03 0.00 -1.10 0.00 0.00 59.98 58.37 1le4 h ARG 114 Cb 1.03 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.63 1le4 h ARG 114 CO 0.06 1.10 0.37 -0.07 2.80 0.00 0.00 179.97 184.23 1le4 h LEU 115 N 0.57 1.03 -0.89 3.80 4.07 -1.13 -0.23 115.31 122.54 1le4 h LEU 115 Ca 0.01 -0.12 -0.11 0.00 0.08 0.00 0.00 57.88 57.74 1le4 h LEU 115 Cb 1.13 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.59 1le4 h LEU 115 CO 0.11 0.88 -0.33 0.58 -1.08 0.00 0.00 178.44 178.60 1le4 h VAL 116 N 1.13 1.28 -0.62 1.22 2.07 -0.89 -2.91 116.25 117.53 1le4 h VAL 116 Ca 0.27 -1.40 -0.06 0.00 0.82 0.00 0.00 66.70 66.33 1le4 h VAL 116 Cb 0.12 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1le4 h VAL 116 CO -0.03 0.43 0.14 -0.61 0.02 0.00 0.00 177.57 177.52 1le4 h GLN 117 N 0.37 1.00 0.01 1.57 4.15 -0.56 -3.17 115.11 118.47 1le4 h GLN 117 Ca 0.04 -0.24 0.03 0.00 0.77 0.00 0.00 58.65 59.25 1le4 h GLN 117 Cb 0.76 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.28 1le4 h GLN 117 CO 0.06 0.91 -0.19 -0.92 -1.93 0.00 0.00 178.83 176.76 1le4 h TYR 118 N 0.91 -0.49 -0.71 3.99 3.20 -0.90 0.13 116.97 123.10 1le4 h TYR 118 Ca 0.19 0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.22 1le4 h TYR 118 Cb 0.37 0.22 -0.10 0.00 1.54 0.00 0.00 36.73 38.76 1le4 h TYR 118 CO 0.03 -0.27 0.24 -0.09 -1.64 0.00 0.00 178.16 176.43 1le4 h ARG 119 N -0.31 0.36 -0.07 1.82 2.43 -1.50 0.21 114.38 117.33 1le4 h ARG 119 Ca 0.05 -0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 58.97 1le4 h ARG 119 Cb 0.38 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1le4 h ARG 119 CO -0.17 0.24 -0.88 0.78 -1.51 0.00 0.00 179.97 178.43 1le4 h GLY 120 N 0.37 0.69 1.36 2.80 0.00 -1.44 -1.28 103.07 105.56 1le4 h GLY 120 Ca 0.39 -1.07 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 1le4 h GLY 120 CO -0.42 0.95 0.32 0.83 0.00 0.00 0.00 176.54 178.22 1le4 h GLU 121 N 0.39 0.84 -0.29 4.80 5.08 0.78 -1.79 114.58 124.40 1le4 h GLU 121 Ca -0.08 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 1le4 h GLU 121 Cb 1.50 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 1le4 h GLU 121 CO 0.17 0.63 -0.06 0.28 -1.00 0.00 0.00 179.01 179.03 1le4 h VAL 122 N 0.85 1.28 -0.25 3.13 2.07 -0.64 -2.24 116.25 120.44 1le4 h VAL 122 Ca 0.21 -1.07 0.07 0.00 0.82 0.00 0.00 66.70 66.74 1le4 h VAL 122 Cb 0.05 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1le4 h VAL 122 CO -0.03 0.34 0.19 1.56 0.02 0.00 0.00 177.57 179.65 1le4 h GLN 123 N 0.31 0.00 0.00 1.57 1.08 -0.53 -1.63 115.11 115.91 1le4 h GLN 123 Ca 0.07 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.13 1le4 h GLN 123 Cb 0.53 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 1le4 h GLN 123 CO 0.03 0.00 -0.69 0.00 -0.95 0.00 0.00 178.83 177.22 1le4 h ALA 124 N 1.85 0.66 0.00 3.87 0.00 -0.79 -3.00 119.26 121.86 1le4 h ALA 124 Ca 0.12 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 1le4 h ALA 124 Cb 0.51 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1le4 h ALA 124 CO -0.00 0.86 -0.14 0.52 0.00 0.00 0.00 179.25 180.49 1le4 h MET 125 N 0.00 0.00 -4.80 0.00 2.86 -0.75 -3.48 114.93 108.76 1le4 h MET 125 Ca -0.01 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.37 1le4 h MET 125 Cb 1.39 0.00 0.13 0.00 0.06 0.00 0.00 31.60 33.18 1le4 h MET 125 CO 0.09 0.14 -0.58 1.28 1.06 0.00 0.00 176.91 178.90 1le4 n LEU 126 N -3.85 -3.49 0.00 1.22 4.77 -1.13 -2.75 117.00 111.77 1le4 n LEU 126 Ca -0.02 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1le4 n LEU 126 Cb 0.24 -2.52 0.00 0.00 -2.33 0.00 0.00 43.42 38.81 1le4 n LEU 126 CO 0.32 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1le4 n GLY 127 N -1.20 3.21 3.52 -0.72 0.00 -1.26 -5.06 105.19 103.68 1le4 n GLY 127 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1le4 n GLY 127 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1le4 n GLN 128 N -2.00 -1.43 -1.80 1.61 6.02 -1.11 -4.86 117.38 113.81 1le4 n GLN 128 Ca 0.00 -0.37 -0.42 0.00 -0.01 0.00 0.00 57.00 56.20 1le4 n GLN 128 Cb 0.00 -2.16 -0.03 0.00 1.02 0.00 0.00 30.24 29.07 1le4 n GLN 128 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1le4 s SER 129 N -2.39 6.44 -0.15 1.08 0.15 -1.26 -4.87 113.70 112.70 1le4 s SER 129 Ca 0.65 2.42 0.11 0.00 0.70 0.00 0.00 55.95 59.84 1le4 s SER 129 Cb -0.23 -2.53 0.59 0.00 -1.71 0.00 0.00 66.02 62.14 1le4 s SER 129 CO 0.63 -1.09 1.42 0.35 1.20 0.00 0.00 173.24 175.75 1le4 n THR 130 N 5.74 1.83 -0.25 6.45 -2.24 -1.26 -4.50 114.28 120.05 1le4 n THR 130 Ca 0.20 -0.99 -0.06 0.00 -2.27 0.00 0.00 64.05 60.93 1le4 n THR 130 Cb 0.42 -0.22 0.08 0.00 -2.10 0.00 0.00 70.33 68.51 1le4 n THR 130 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1le4 h GLU 131 N 3.01 1.11 -0.36 -0.78 4.22 -1.99 -1.38 114.58 118.42 1le4 h GLU 131 Ca 0.00 -0.24 -0.14 0.00 0.08 0.00 0.00 59.36 59.06 1le4 h GLU 131 Cb 1.46 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1le4 h GLU 131 CO 0.31 0.95 -0.33 1.05 -2.18 0.00 0.00 179.01 178.80 1le4 h GLU 132 N 1.07 0.80 -0.80 1.92 -0.00 -2.00 -1.84 114.58 113.72 1le4 h GLU 132 Ca 0.23 -0.38 -0.04 0.00 -0.00 0.00 0.00 59.36 59.17 1le4 h GLU 132 Cb 0.31 -0.01 -0.04 0.00 -0.00 0.00 0.00 28.75 29.02 1le4 h GLU 132 CO -0.01 1.01 0.34 -0.07 -0.00 0.00 0.00 179.01 180.28 1le4 h LEU 133 N 0.67 1.10 -1.15 3.06 3.38 -1.82 -1.33 115.31 119.21 1le4 h LEU 133 Ca 0.07 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1le4 h LEU 133 Cb 0.88 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1le4 h LEU 133 CO 0.08 0.96 -0.28 0.03 0.09 0.00 0.00 178.44 179.32 1le4 h ARG 134 N 1.16 0.24 -0.30 1.13 3.08 -1.17 0.28 114.38 118.80 1le4 h ARG 134 Ca 0.27 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 60.10 1le4 h ARG 134 Cb 0.19 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1le4 h ARG 134 CO -0.02 0.51 -0.32 0.28 -1.07 0.00 0.00 179.97 179.34 1le4 h VAL 135 N 0.22 1.30 -0.26 2.04 2.07 -0.61 -2.88 116.25 118.11 1le4 h VAL 135 Ca 0.03 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.04 1le4 h VAL 135 Cb 0.61 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1le4 h VAL 135 CO 0.04 0.48 0.09 0.03 0.02 0.00 0.00 177.57 178.23 1le4 h ARG 136 N 0.50 0.41 -0.27 1.57 3.08 -1.15 -2.94 114.38 115.57 1le4 h ARG 136 Ca 0.05 -0.08 0.07 0.00 0.07 0.00 0.00 59.98 60.08 1le4 h ARG 136 Cb 0.90 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.82 1le4 h ARG 136 CO 0.08 0.47 -0.22 1.25 -1.07 0.00 0.00 179.97 180.47 1le4 h LEU 137 N 0.27 -0.71 -0.84 3.04 6.46 -0.50 -1.59 115.31 121.43 1le4 h LEU 137 Ca 0.09 0.14 0.09 0.00 -0.12 0.00 0.00 57.88 58.07 1le4 h LEU 137 Cb 0.22 0.35 -0.07 0.00 -0.73 0.00 0.00 40.66 40.43 1le4 h LEU 137 CO -0.00 -0.26 0.49 0.00 -0.62 0.00 0.00 178.44 178.05 1le4 h ALA 138 N 0.89 1.19 0.00 1.25 0.00 -1.47 0.34 119.26 121.46 1le4 h ALA 138 Ca 0.15 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 1le4 h ALA 138 Cb 0.44 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1le4 h ALA 138 CO -0.39 0.15 -0.91 0.66 0.00 0.00 0.00 179.25 178.76 1le4 h SER 139 N 0.85 0.00 0.24 0.00 4.64 -1.31 -1.49 113.55 116.49 1le4 h SER 139 Ca 0.39 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.70 1le4 h SER 139 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1le4 h SER 139 CO -0.23 0.81 -0.12 -0.74 -0.87 0.00 0.00 176.83 175.69 1le4 h HIS 140 N 0.00 -0.30 -0.32 4.77 6.17 -0.48 -2.87 115.15 122.12 1le4 h HIS 140 Ca -0.04 -0.01 0.04 0.00 0.71 0.00 0.00 60.37 61.08 1le4 h HIS 140 Cb 1.65 0.10 -0.02 0.00 2.52 0.00 0.00 27.41 31.66 1le4 h HIS 140 CO 0.00 -0.03 0.22 -0.07 0.71 0.00 0.00 177.93 178.76 1le4 h LEU 141 N -0.55 0.21 -1.11 0.26 3.38 -0.25 -0.72 115.31 116.53 1le4 h LEU 141 Ca -0.03 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1le4 h LEU 141 Cb 0.40 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1le4 h LEU 141 CO 0.05 0.14 0.07 -0.09 0.09 0.00 0.00 178.44 178.71 1le4 h ARG 142 N 0.24 0.70 -0.03 1.13 2.43 -1.06 -0.45 114.38 117.34 1le4 h ARG 142 Ca 0.14 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1le4 h ARG 142 Cb 0.25 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1le4 h ARG 142 CO -0.03 0.67 -0.09 0.87 -1.51 0.00 0.00 179.97 179.88 1le4 h LYS 143 N 0.68 0.11 -0.92 0.20 1.57 -0.93 -2.36 116.57 114.91 1le4 h LYS 143 Ca 0.15 -0.08 0.12 0.00 -1.87 0.00 0.00 60.65 58.97 1le4 h LYS 143 Cb 0.31 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.56 1le4 h LYS 143 CO 0.00 0.71 0.59 -0.07 -0.57 0.00 0.00 179.45 180.12 1le4 h LEU 144 N -0.47 0.78 -0.47 2.94 3.38 -1.41 0.36 115.31 120.42 1le4 h LEU 144 Ca -0.00 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1le4 h LEU 144 Cb 0.72 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1le4 h LEU 144 CO 0.02 0.42 -0.17 0.03 0.09 0.00 0.00 178.44 178.83 1le4 h ARG 145 N 0.84 0.00 -0.18 1.13 3.08 -1.02 -1.65 114.38 116.58 1le4 h ARG 145 Ca 0.45 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.35 1le4 h ARG 145 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1le4 h ARG 145 CO -0.21 0.17 -0.49 -0.22 -1.07 0.00 0.00 179.97 178.15 1le4 h LYS 146 N 0.00 0.65 0.72 0.04 3.64 -0.44 -1.72 116.57 119.46 1le4 h LYS 146 Ca -0.00 -0.46 -0.04 0.00 -1.27 0.00 0.00 60.65 58.88 1le4 h LYS 146 Cb 0.96 0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.86 1le4 h LYS 146 CO 0.02 1.08 -0.35 -0.09 -2.27 0.00 0.00 179.45 177.84 1le4 h ARG 147 N 0.33 -0.94 -0.58 1.90 2.43 -1.01 -0.98 114.38 115.53 1le4 h ARG 147 Ca -0.01 0.06 0.15 0.00 -0.81 0.00 0.00 59.98 59.38 1le4 h ARG 147 Cb 1.11 0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.85 1le4 h ARG 147 CO 0.11 -0.62 0.41 1.25 -1.51 0.00 0.00 179.97 179.61 1le4 h LEU 148 N -1.01 0.08 0.13 3.80 6.46 -1.32 -1.37 115.31 122.08 1le4 h LEU 148 Ca -0.10 0.00 -0.29 0.00 -0.12 0.00 0.00 57.88 57.38 1le4 h LEU 148 Cb 0.76 -0.01 0.02 0.00 -0.73 0.00 0.00 40.66 40.69 1le4 h LEU 148 CO 0.16 0.04 -1.28 0.25 -0.62 0.00 0.00 178.44 177.00 1le4 h LEU 149 N 0.09 0.60 -0.94 2.25 5.85 -0.70 -1.70 115.31 120.76 1le4 h LEU 149 Ca 0.28 -0.62 -0.08 0.00 0.84 0.00 0.00 57.88 58.30 1le4 h LEU 149 Cb 0.98 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1le4 h LEU 149 CO -0.03 1.47 -0.38 0.08 -0.34 0.00 0.00 178.44 179.24 1le4 h ARG 150 N 0.13 0.00 0.00 1.25 0.11 -0.16 -2.02 114.38 113.69 1le4 h ARG 150 Ca -0.17 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.72 1le4 h ARG 150 Cb 1.98 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 33.03 1le4 h ARG 150 CO 0.22 0.38 -0.90 -0.44 0.10 0.00 0.00 179.97 179.34 1le4 h ASP 151 N 0.00 0.00 -0.13 0.08 3.32 -1.30 -0.60 116.42 117.80 1le4 h ASP 151 Ca -0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 1le4 h ASP 151 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1le4 h ASP 151 CO 0.05 0.90 -0.24 0.00 -1.72 0.00 0.00 179.24 178.22 1le4 h ALA 152 N 1.10 0.20 0.27 3.45 0.00 -1.24 -1.07 119.26 121.97 1le4 h ALA 152 Ca -0.01 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1le4 h ALA 152 Cb 1.69 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 1le4 h ALA 152 CO 0.12 0.18 -0.36 0.22 0.00 0.00 0.00 179.25 179.40 1le4 h ASP 153 N -0.02 -1.02 -0.60 0.00 1.82 -1.28 0.45 116.42 115.77 1le4 h ASP 153 Ca 0.01 0.10 0.07 0.00 -0.39 0.00 0.00 57.03 56.82 1le4 h ASP 153 Cb 0.83 0.36 -0.06 0.00 0.68 0.00 0.00 39.33 41.14 1le4 h ASP 153 CO 0.05 -0.48 0.28 -0.78 -1.61 0.00 0.00 179.24 176.70 1le4 h ASP 154 N -0.69 0.36 -0.75 2.28 3.58 -1.16 0.15 116.42 120.19 1le4 h ASP 154 Ca -0.01 0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.52 1le4 h ASP 154 Cb 0.66 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.66 1le4 h ASP 154 CO -0.12 0.23 0.50 0.25 -2.88 0.00 0.00 179.24 177.21 1le4 h LEU 155 N 0.51 0.82 -1.23 2.28 5.85 -0.53 -0.23 115.31 122.78 1le4 h LEU 155 Ca 0.29 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 1le4 h LEU 155 Cb 0.27 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1le4 h LEU 155 CO -0.23 0.58 0.24 1.56 -0.34 0.00 0.00 178.44 180.25 1le4 h GLN 156 N 0.96 0.78 -0.10 1.25 4.20 0.26 -2.33 115.11 120.14 1le4 h GLN 156 Ca 0.29 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 1le4 h GLN 156 Cb -0.03 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 1le4 h GLN 156 CO -0.07 0.62 0.04 0.87 -0.67 0.00 0.00 178.83 179.61 1le4 h LYS 157 N 0.77 0.14 0.01 1.46 1.57 0.32 -1.68 116.57 119.16 1le4 h LYS 157 Ca 0.19 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1le4 h LYS 157 Cb 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1le4 h LYS 157 CO -0.02 0.26 -0.00 0.00 -0.57 0.00 0.00 179.45 179.11 1le4 h ARG 158 N -0.00 -0.01 -0.20 3.15 3.08 -1.34 -2.15 114.38 116.91 1le4 h ARG 158 Ca 0.03 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.14 1le4 h ARG 158 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1le4 h ARG 158 CO -0.00 0.29 0.27 1.25 -1.07 0.00 0.00 179.97 180.71 1le4 h LEU 159 N -0.30 0.00 -0.08 3.04 5.85 -1.40 0.29 115.31 122.70 1le4 h LEU 159 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1le4 h LEU 159 Cb 0.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1le4 h LEU 159 CO 0.00 0.00 -0.23 0.00 -0.34 0.00 0.00 178.44 177.87 1le4 n ALA 160 N -2.24 2.95 0.66 1.25 0.00 -0.64 -3.00 120.51 119.49 1le4 n ALA 160 Ca 0.02 -0.25 0.05 0.00 0.00 0.00 0.00 53.44 53.26 1le4 n ALA 160 Cb 0.39 -1.28 0.17 0.00 0.00 0.00 0.00 19.45 18.73 1le4 n ALA 160 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1le4 n VAL 161 N -1.32 0.70 0.42 0.00 3.14 0.10 -5.07 118.33 116.30 1le4 n VAL 161 Ca 0.09 -0.53 0.05 0.00 -2.96 0.00 0.00 64.34 60.99 1le4 n VAL 161 Cb 0.32 0.07 0.04 0.00 -1.06 0.00 0.00 33.84 33.22 1le4 n VAL 161 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15