#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hy4 h ALA 2 N 0.00 0.91 -0.34 3.04 0.00 -2.06 -2.81 119.26 118.00 3hy4 h ALA 2 Ca 0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 3hy4 h ALA 2 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hy4 h ALA 2 CO 0.00 0.73 -0.25 0.00 0.00 0.00 0.00 179.25 179.73 3hy4 h ALA 3 N 1.27 0.92 0.17 0.00 0.00 -2.03 -2.79 119.26 116.80 3hy4 h ALA 3 Ca -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3hy4 h ALA 3 Cb 1.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3hy4 h ALA 3 CO 0.09 0.62 -0.08 0.00 0.00 0.00 0.00 179.25 179.87 3hy4 h ALA 4 N 1.12 -0.23 0.00 0.00 0.00 -1.95 -0.70 119.26 117.50 3hy4 h ALA 4 Ca 0.08 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hy4 h ALA 4 Cb 0.74 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3hy4 h ALA 4 CO 0.06 -0.63 -0.02 0.00 0.00 0.00 0.00 179.25 178.66 3hy4 h ALA 5 N 0.58 1.73 -0.21 0.00 0.00 -1.47 0.45 119.26 120.34 3hy4 h ALA 5 Ca -0.02 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 3hy4 h ALA 5 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hy4 h ALA 5 CO 0.04 0.02 -0.37 0.28 0.00 0.00 0.00 179.25 179.22 3hy4 h VAL 6 N 0.00 1.32 -0.01 0.00 2.07 -1.14 -2.57 116.25 115.93 3hy4 h VAL 6 Ca -0.00 -1.59 -0.11 0.00 0.82 0.00 0.00 66.70 65.82 3hy4 h VAL 6 Cb 0.04 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3hy4 h VAL 6 CO 0.00 0.50 -0.52 0.28 0.02 0.00 0.00 177.57 177.85 3hy4 h SER 7 N 0.31 0.03 0.36 0.57 0.02 0.04 -1.79 113.55 113.08 3hy4 h SER 7 Ca 0.01 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3hy4 h SER 7 Cb 0.97 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.50 3hy4 h SER 7 CO 0.08 0.54 -0.17 -1.28 -1.14 0.00 0.00 176.83 174.86 3hy4 h SER 8 N 0.02 -0.41 -0.29 3.07 0.87 -0.96 0.55 113.55 116.41 3hy4 h SER 8 Ca -0.00 -0.05 0.07 0.00 -1.23 0.00 0.00 61.79 60.58 3hy4 h SER 8 Cb 0.92 0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.91 3hy4 h SER 8 CO 0.07 -0.21 -0.22 0.00 -0.53 0.00 0.00 176.83 175.94 3hy4 h ALA 9 N 0.03 -0.04 -0.05 6.23 0.00 -1.27 0.94 119.26 125.10 3hy4 h ALA 9 Ca -0.05 0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3hy4 h ALA 9 Cb 0.43 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3hy4 h ALA 9 CO 0.08 -0.62 -0.13 0.87 0.00 0.00 0.00 179.25 179.45 3hy4 h LYS 10 N -0.20 -0.18 0.02 0.00 1.57 -1.27 0.15 116.57 116.65 3hy4 h LYS 10 Ca 0.15 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.98 3hy4 h LYS 10 Cb 0.43 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 3hy4 h LYS 10 CO -0.40 -0.12 -0.32 -0.09 -0.57 0.00 0.00 179.45 177.94 3hy4 h ARG 11 N -0.19 -0.46 -0.05 3.15 2.43 -0.17 0.23 114.38 119.31 3hy4 h ARG 11 Ca 0.06 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.30 3hy4 h ARG 11 Cb 0.28 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.88 3hy4 h ARG 11 CO -0.17 -0.31 -0.37 0.77 -1.51 0.00 0.00 179.97 178.38 3hy4 h SER 12 N -0.48 -1.14 -0.77 -3.80 0.02 -0.66 -1.56 113.55 105.16 3hy4 h SER 12 Ca 0.06 0.15 0.11 0.00 -0.84 0.00 0.00 61.79 61.26 3hy4 h SER 12 Cb 0.56 0.46 -0.05 0.00 0.14 0.00 0.00 62.40 63.51 3hy4 h SER 12 CO -0.25 -0.41 0.51 0.25 -1.14 0.00 0.00 176.83 175.78 3hy4 h LEU 13 N -0.50 0.58 -0.34 5.07 5.85 -0.45 -0.85 115.31 124.68 3hy4 h LEU 13 Ca 0.07 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3hy4 h LEU 13 Cb 0.60 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3hy4 h LEU 13 CO -0.33 0.34 0.11 0.03 -0.34 0.00 0.00 178.44 178.25 3hy4 h ARG 14 N 0.64 0.53 0.38 1.25 3.08 0.18 -1.59 114.38 118.86 3hy4 h ARG 14 Ca 0.36 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 3hy4 h ARG 14 Cb 0.54 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3hy4 h ARG 14 CO -0.14 0.56 -0.34 0.78 -1.07 0.00 0.00 179.97 179.76 3hy4 h GLY 15 N 0.40 -1.07 -0.31 0.04 0.00 -0.23 0.16 103.07 102.06 3hy4 h GLY 15 Ca 0.11 0.48 0.16 0.00 0.00 0.00 0.00 47.33 48.08 3hy4 h GLY 15 CO -0.00 -0.34 -0.02 -2.09 0.00 0.00 0.00 176.54 174.09 3hy4 h GLU 16 N -0.71 0.09 -0.32 4.80 4.81 -1.41 0.18 114.58 122.02 3hy4 h GLU 16 Ca -0.05 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3hy4 h GLU 16 Cb 0.61 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 3hy4 h GLU 16 CO -0.02 0.06 0.21 -0.07 -0.73 0.00 0.00 179.01 178.46 3hy4 h LEU 17 N 0.09 0.37 -1.71 1.64 3.38 -1.00 0.16 115.31 118.25 3hy4 h LEU 17 Ca 0.39 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.31 3hy4 h LEU 17 Cb 0.66 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3hy4 h LEU 17 CO -0.65 0.27 -0.18 0.11 0.09 0.00 0.00 178.44 178.09 3hy4 h LYS 18 N 0.43 0.00 0.32 1.13 1.57 0.96 0.30 116.57 121.27 3hy4 h LYS 18 Ca 0.12 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 3hy4 h LYS 18 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3hy4 h LYS 18 CO -0.03 0.18 -0.15 1.96 -0.57 0.00 0.00 179.45 180.84 3hy4 h GLN 19 N 0.00 -0.41 -1.06 3.15 1.08 0.37 -1.83 115.11 116.41 3hy4 h GLN 19 Ca -0.00 0.03 0.29 0.00 -1.45 0.00 0.00 58.65 57.52 3hy4 h GLN 19 Cb 0.36 0.09 -0.12 0.00 -0.05 0.00 0.00 27.48 27.77 3hy4 h GLN 19 CO 0.02 -0.27 0.65 0.00 -0.95 0.00 0.00 178.83 178.28 3hy4 h ARG 20 N -0.59 0.39 0.00 1.46 3.08 -0.52 -3.27 114.38 114.92 3hy4 h ARG 20 Ca -0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3hy4 h ARG 20 Cb 0.33 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3hy4 h ARG 20 CO 0.07 0.26 0.00 1.28 -1.07 0.00 0.00 179.97 180.51 3hy4 n LEU 21 N -4.79 0.00 -2.78 3.04 4.77 0.10 -3.94 117.00 113.40 3hy4 n LEU 21 Ca 0.28 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3hy4 n LEU 21 Cb 0.93 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 3hy4 n LEU 21 CO 0.19 0.00 0.06 -1.14 -1.33 0.00 0.00 177.39 175.17 3hy4 n ARG 22 N 0.00 0.00 -2.40 3.23 0.00 -0.69 -4.87 116.66 111.93 3hy4 n ARG 22 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 3hy4 n ARG 22 Cb 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 32.46 31.67 3hy4 n ARG 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3hy4 n MET 24 N 2.06 -4.30 -0.81 -0.14 -0.00 -1.25 -5.06 117.12 107.61 3hy4 n MET 24 Ca 0.00 3.16 -0.33 0.00 -0.00 0.00 0.00 57.70 60.53 3hy4 n MET 24 Cb 0.03 -4.14 0.13 0.00 -0.00 0.00 0.00 33.22 29.24 3hy4 n MET 24 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 3hy4 n SER 25 N 1.88 -1.45 -0.31 3.17 3.41 -1.26 -4.69 113.62 114.37 3hy4 n SER 25 Ca -0.09 0.37 -0.03 0.00 -0.26 0.00 0.00 58.87 58.86 3hy4 n SER 25 Cb 0.14 -1.27 0.11 0.00 -0.26 0.00 0.00 64.21 62.93 3hy4 n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hy4 h ALA 26 N -1.53 1.19 -0.43 7.33 0.00 -1.99 -1.40 119.26 122.43 3hy4 h ALA 26 Ca -0.44 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 3hy4 h ALA 26 Cb 1.28 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3hy4 h ALA 26 CO 0.36 0.65 -0.13 1.05 0.00 0.00 0.00 179.25 181.18 3hy4 h GLU 27 N 1.22 0.84 0.39 0.00 4.11 -1.99 -0.20 114.58 118.95 3hy4 h GLU 27 Ca 0.31 -0.33 -0.02 0.00 0.07 0.00 0.00 59.36 59.38 3hy4 h GLU 27 Cb 0.03 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3hy4 h GLU 27 CO -0.05 0.97 -0.20 1.49 0.07 0.00 0.00 179.01 181.29 3hy4 h GLU 28 N 0.67 -0.52 -0.96 1.06 4.57 -1.89 0.83 114.58 118.33 3hy4 h GLU 28 Ca 0.11 0.04 0.31 0.00 -1.18 0.00 0.00 59.36 58.63 3hy4 h GLU 28 Cb 0.67 0.12 -0.16 0.00 -0.16 0.00 0.00 28.75 29.21 3hy4 h GLU 28 CO 0.05 -0.35 0.33 -0.09 -1.18 0.00 0.00 179.01 177.77 3hy4 h ARG 29 N -0.54 0.13 -0.09 1.92 1.12 -1.00 -0.49 114.38 115.44 3hy4 h ARG 29 Ca -0.05 -0.01 -0.17 0.00 -1.11 0.00 0.00 59.98 58.64 3hy4 h ARG 29 Cb 0.42 -0.03 0.01 0.00 -0.01 0.00 0.00 29.97 30.36 3hy4 h ARG 29 CO 0.08 0.08 -0.61 -0.07 -3.11 0.00 0.00 179.97 176.34 3hy4 h LEU 30 N 0.13 0.69 0.14 3.80 3.38 -0.37 -2.92 115.31 120.16 3hy4 h LEU 30 Ca 0.68 -0.67 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3hy4 h LEU 30 Cb 1.55 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 42.06 3hy4 h LEU 30 CO -0.74 1.25 -0.36 -0.09 0.09 0.00 0.00 178.44 178.58 3hy4 h ARG 31 N 0.18 -0.59 -0.52 1.13 2.43 0.74 0.24 114.38 117.99 3hy4 h ARG 31 Ca -0.05 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 3hy4 h ARG 31 Cb 1.27 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.92 3hy4 h ARG 31 CO 0.12 -0.39 0.35 0.37 -1.51 0.00 0.00 179.97 178.91 3hy4 h GLN 32 N -0.61 0.52 -0.39 0.20 4.15 -1.42 -1.00 115.11 116.56 3hy4 h GLN 32 Ca 0.02 -0.03 -0.15 0.00 0.77 0.00 0.00 58.65 59.26 3hy4 h GLN 32 Cb 0.63 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 3hy4 h GLN 32 CO -0.20 0.34 -0.33 0.77 -1.93 0.00 0.00 178.83 177.48 3hy4 h SER 33 N 0.53 0.97 0.08 -0.69 0.02 -1.22 -2.18 113.55 111.07 3hy4 h SER 33 Ca 0.22 -0.45 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 3hy4 h SER 33 Cb 0.19 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 3hy4 h SER 33 CO -0.06 1.22 -0.06 -0.09 -1.14 0.00 0.00 176.83 176.70 3hy4 h ARG 34 N 0.73 0.00 0.01 3.45 2.43 0.37 -0.18 114.38 121.20 3hy4 h ARG 34 Ca 0.07 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3hy4 h ARG 34 Cb 0.92 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3hy4 h ARG 34 CO 0.09 0.06 -0.09 0.28 -1.51 0.00 0.00 179.97 178.80 3hy4 h VAL 35 N 0.00 1.75 -0.68 0.20 2.07 -1.25 -3.22 116.25 115.12 3hy4 h VAL 35 Ca -0.00 -2.35 0.03 0.00 0.82 0.00 0.00 66.70 65.20 3hy4 h VAL 35 Cb 0.11 3.34 -0.04 0.00 -1.52 0.00 0.00 31.29 33.18 3hy4 h VAL 35 CO 0.01 0.60 0.45 -0.07 0.02 0.00 0.00 177.57 178.58 3hy4 h LEU 36 N -0.98 0.70 0.02 2.57 4.07 -1.17 -1.48 115.31 119.04 3hy4 h LEU 36 Ca -0.02 -0.01 0.03 0.00 0.08 0.00 0.00 57.88 57.96 3hy4 h LEU 36 Cb 1.04 -0.16 -0.04 0.00 1.08 0.00 0.00 40.66 42.57 3hy4 h LEU 36 CO -0.00 0.48 -0.24 0.28 -1.08 0.00 0.00 178.44 177.87 3hy4 h SER 37 N 0.81 -0.72 -0.70 -0.43 0.02 -1.14 0.18 113.55 111.58 3hy4 h SER 37 Ca 0.27 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 3hy4 h SER 37 Cb 0.07 0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 3hy4 h SER 37 CO -0.08 -0.32 0.46 1.56 -1.14 0.00 0.00 176.83 177.31 3hy4 h GLN 38 N -0.39 0.93 -0.72 3.45 1.08 -1.44 0.96 115.11 118.98 3hy4 h GLN 38 Ca 0.06 -0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.21 3hy4 h GLN 38 Cb 0.47 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 27.65 3hy4 h GLN 38 CO -0.20 0.63 0.47 0.87 -0.95 0.00 0.00 178.83 179.65 3hy4 h LYS 39 N 0.95 0.91 0.14 1.46 1.57 -0.85 -2.30 116.57 118.45 3hy4 h LYS 39 Ca 0.26 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 3hy4 h LYS 39 Cb -0.09 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.01 3hy4 h LYS 39 CO -0.05 0.60 -0.07 0.28 -0.57 0.00 0.00 179.45 179.64 3hy4 h VAL 40 N 0.93 1.01 -0.38 0.50 2.07 0.48 -2.91 116.25 117.95 3hy4 h VAL 40 Ca 0.27 -0.72 0.11 0.00 0.82 0.00 0.00 66.70 67.19 3hy4 h VAL 40 Cb -0.05 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3hy4 h VAL 40 CO -0.07 0.17 0.30 0.40 0.02 0.00 0.00 177.57 178.39 3hy4 h ILE 41 N -0.53 0.72 -0.41 4.57 1.08 -0.54 0.13 117.51 122.53 3hy4 h ILE 41 Ca -0.02 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 3hy4 h ILE 41 Cb 0.42 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 3hy4 h ILE 41 CO 0.03 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.49 3hy4 n ALA 42 N -2.56 2.43 -2.03 1.87 0.00 -0.89 -4.70 120.51 114.63 3hy4 n ALA 42 Ca 0.06 -0.95 -0.40 0.00 0.00 0.00 0.00 53.44 52.15 3hy4 n ALA 42 Cb 0.48 -0.93 -0.05 0.00 0.00 0.00 0.00 19.45 18.95 3hy4 n ALA 42 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3hy4 s HIS 43 N -1.46 3.89 0.17 0.00 5.04 0.46 -4.96 115.29 118.42 3hy4 s HIS 43 Ca 0.39 1.77 -0.15 0.00 -1.54 0.00 0.00 55.06 55.53 3hy4 s HIS 43 Cb 0.22 -2.94 0.09 0.00 0.04 0.00 0.00 32.58 29.98 3hy4 s HIS 43 CO 0.30 0.37 1.79 0.77 -2.34 0.00 0.00 174.74 175.63 3hy4 h SER 44 N 4.80 0.35 1.30 9.88 0.02 -1.91 -0.04 113.55 127.95 3hy4 h SER 44 Ca -0.45 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.47 3hy4 h SER 44 Cb 1.21 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 3hy4 h SER 44 CO 0.69 0.25 -0.22 -0.33 -1.14 0.00 0.00 176.83 176.08 3hy4 h GLU 45 N 0.47 0.00 0.00 3.45 4.39 -1.94 -0.13 114.58 120.83 3hy4 h GLU 45 Ca 0.19 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 3hy4 h GLU 45 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3hy4 h GLU 45 CO -0.12 0.22 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.00 3hy4 h TYR 46 N 0.00 0.03 -0.41 4.33 3.20 -1.75 -2.78 116.97 119.58 3hy4 h TYR 46 Ca -0.00 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.93 3hy4 h TYR 46 Cb 0.94 -0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.13 3hy4 h TYR 46 CO 0.00 0.84 -0.02 1.96 -1.64 0.00 0.00 178.16 179.30 3hy4 h GLN 47 N -0.78 0.09 -0.11 1.82 4.20 -0.88 -2.92 115.11 116.52 3hy4 h GLN 47 Ca -0.00 -0.01 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 3hy4 h GLN 47 Cb 0.84 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 3hy4 h GLN 47 CO 0.01 0.06 -0.56 0.87 -0.67 0.00 0.00 178.83 178.53 3hy4 h LYS 48 N 0.09 0.35 -7.10 1.46 1.57 -1.14 -3.46 116.57 108.34 3hy4 h LYS 48 Ca 0.20 -0.22 -0.48 0.00 -1.87 0.00 0.00 60.65 58.29 3hy4 h LYS 48 Cb 0.30 0.03 0.04 0.00 0.08 0.00 0.00 32.23 32.67 3hy4 h LYS 48 CO -0.35 0.81 0.39 -1.54 -0.57 0.00 0.00 179.45 178.19 3hy4 s SER 49 N -6.90 6.18 -0.01 0.86 1.04 -1.05 -4.99 113.70 108.82 3hy4 s SER 49 Ca -0.05 1.93 -0.00 0.00 0.48 0.00 0.00 55.95 58.30 3hy4 s SER 49 Cb 0.12 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.68 3hy4 s SER 49 CO 0.81 -0.90 -0.01 0.29 0.98 0.00 0.00 173.24 174.41 3hy4 n LYS 50 N -1.21 0.03 -3.54 4.02 5.02 -1.26 -4.94 118.16 116.27 3hy4 n LYS 50 Ca 0.09 0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 55.98 3hy4 n LYS 50 Cb 0.52 -0.84 -0.11 0.00 -0.02 0.00 0.00 35.03 34.59 3hy4 n LYS 50 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3hy4 s ARG 51 N -2.02 3.10 -0.05 1.97 0.52 -1.26 -0.82 118.95 120.38 3hy4 s ARG 51 Ca -0.02 -0.91 0.05 0.00 -0.52 0.00 0.00 55.73 54.34 3hy4 s ARG 51 Cb 0.01 -3.82 -0.02 0.00 0.52 0.00 0.00 34.95 31.64 3hy4 s ARG 51 CO 0.03 -0.62 -0.21 0.42 0.02 0.00 0.00 175.30 174.93 3hy4 s ILE 52 N 1.65 2.41 -0.18 1.52 1.01 -0.33 -0.49 121.20 126.79 3hy4 s ILE 52 Ca 0.04 -0.95 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 3hy4 s ILE 52 Cb -0.18 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 3hy4 s ILE 52 CO 0.09 0.57 0.02 -0.55 0.00 0.00 0.00 174.94 175.07 3hy4 s SER 53 N -0.39 5.24 -0.00 3.58 0.15 -0.08 0.04 113.70 122.24 3hy4 s SER 53 Ca 0.03 -0.03 -0.05 0.00 0.70 0.00 0.00 55.95 56.60 3hy4 s SER 53 Cb -0.12 -1.88 -0.00 0.00 -1.71 0.00 0.00 66.02 62.30 3hy4 s SER 53 CO 0.02 0.15 0.10 -0.51 1.20 0.00 0.00 173.24 174.20 3hy4 s ILE 54 N 0.48 0.08 0.28 6.45 2.07 0.15 -0.25 121.20 130.45 3hy4 s ILE 54 Ca 0.00 -0.63 0.04 0.00 -1.41 0.00 0.00 60.65 58.66 3hy4 s ILE 54 Cb -0.13 -0.35 -0.03 0.00 0.13 0.00 0.00 42.46 42.08 3hy4 s ILE 54 CO 0.02 -0.34 0.42 0.72 -1.91 0.00 0.00 174.94 173.85 3hy4 s PHE 55 N -1.16 3.39 -0.32 3.50 -0.12 -1.26 -4.20 117.98 117.80 3hy4 s PHE 55 Ca -0.13 0.01 -0.13 0.00 -0.05 0.00 0.00 56.93 56.63 3hy4 s PHE 55 Cb -0.07 -1.73 -0.03 0.00 -0.63 0.00 0.00 43.02 40.56 3hy4 s PHE 55 CO 0.01 0.27 0.28 -0.51 -0.05 0.00 0.00 175.22 175.22 3hy4 s LEU 56 N -4.09 4.33 0.12 -1.99 1.43 -1.26 -4.75 118.68 112.47 3hy4 s LEU 56 Ca 0.38 -0.19 -0.31 0.00 -1.03 0.00 0.00 54.13 52.97 3hy4 s LEU 56 Cb -0.09 -2.23 -0.09 0.00 0.03 0.00 0.00 46.19 43.80 3hy4 s LEU 56 CO 0.31 -0.22 1.58 -0.44 0.23 0.00 0.00 176.35 177.81 3hy4 s SER 57 N 1.73 6.62 0.74 2.29 0.01 -1.26 -4.94 113.70 118.88 3hy4 s SER 57 Ca 0.09 2.54 -0.07 0.00 1.31 0.00 0.00 55.95 59.82 3hy4 s SER 57 Cb -0.17 -2.58 0.09 0.00 0.21 0.00 0.00 66.02 63.57 3hy4 s SER 57 CO 0.11 -0.83 1.05 -0.04 0.41 0.00 0.00 173.24 173.94 3hy4 s MET 58 N 1.69 1.91 0.48 12.44 1.00 -1.26 -4.98 119.30 130.57 3hy4 s MET 58 Ca 0.71 -0.42 0.24 0.00 0.00 0.00 0.00 55.69 56.22 3hy4 s MET 58 Cb -0.42 -2.16 1.21 0.00 0.00 0.00 0.00 34.83 33.46 3hy4 s MET 58 CO 0.31 -1.42 1.97 1.96 0.00 0.00 0.00 175.02 177.85 3hy4 h GLN 59 N -0.71 0.00 -1.13 2.03 1.08 -1.98 -1.83 115.11 112.57 3hy4 h GLN 59 Ca -0.43 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.32 3hy4 h GLN 59 Cb 1.30 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 28.50 3hy4 h GLN 59 CO 0.54 0.19 0.58 -0.40 -0.95 0.00 0.00 178.83 178.79 3hy4 n ASP 60 N -3.65 5.46 -3.80 1.46 5.75 -1.26 -4.89 116.55 115.62 3hy4 n ASP 60 Ca -0.01 -3.33 -0.12 0.00 -0.01 0.00 0.00 54.79 51.31 3hy4 n ASP 60 Cb 0.31 -0.89 -0.11 0.00 -1.03 0.00 0.00 41.12 39.39 3hy4 n ASP 60 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3hy4 s GLU 61 N -2.68 0.34 0.18 0.11 2.02 -0.69 -4.99 118.70 112.99 3hy4 s GLU 61 Ca 0.46 0.16 -0.31 0.00 0.02 0.00 0.00 54.97 55.30 3hy4 s GLU 61 Cb 0.37 0.16 -0.17 0.00 0.10 0.00 0.00 34.13 34.59 3hy4 s GLU 61 CO 0.03 -0.06 0.85 -0.89 0.02 0.00 0.00 175.26 175.22 3hy4 n ILE 62 N 2.56 1.41 -2.81 -1.63 2.08 -1.26 -4.64 119.36 115.06 3hy4 n ILE 62 Ca -0.15 -0.35 -0.42 0.00 0.56 0.00 0.00 62.75 62.38 3hy4 n ILE 62 Cb 0.58 -0.39 -0.04 0.00 -0.75 0.00 0.00 39.64 39.04 3hy4 n ILE 62 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 3hy4 s GLU 63 N -0.79 3.91 0.00 0.38 2.56 -1.26 -4.65 118.70 118.85 3hy4 s GLU 63 Ca 0.70 0.67 0.20 0.00 0.00 0.00 0.00 54.97 56.54 3hy4 s GLU 63 Cb -0.92 -3.77 0.56 0.00 2.00 0.00 0.00 34.13 31.99 3hy4 s GLU 63 CO 0.56 -0.86 1.45 0.25 -0.56 0.00 0.00 175.26 176.10 3hy4 n THR 64 N 5.83 0.42 -0.14 -1.70 -2.24 -1.26 -4.44 114.28 110.75 3hy4 n THR 64 Ca 0.07 -0.57 -0.04 0.00 -2.27 0.00 0.00 64.05 61.24 3hy4 n THR 64 Cb 0.48 0.59 0.02 0.00 -2.10 0.00 0.00 70.33 69.33 3hy4 n THR 64 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3hy4 h GLU 65 N 3.23 0.01 -0.59 -0.78 4.81 -1.91 0.41 114.58 119.76 3hy4 h GLU 65 Ca 0.00 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3hy4 h GLU 65 Cb 0.72 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 3hy4 h GLU 65 CO 0.00 0.00 0.30 1.49 -0.73 0.00 0.00 179.01 180.07 3hy4 h GLU 66 N 0.01 0.83 -0.69 1.92 4.81 -1.99 -2.31 114.58 117.17 3hy4 h GLU 66 Ca 0.21 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3hy4 h GLU 66 Cb 0.32 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 3hy4 h GLU 66 CO -0.45 0.66 0.36 0.82 -0.73 0.00 0.00 179.01 179.67 3hy4 h ILE 67 N 0.80 1.22 -0.90 2.32 2.04 -1.59 -2.38 117.51 119.02 3hy4 h ILE 67 Ca 0.20 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.50 3hy4 h ILE 67 Cb 0.09 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 36.45 3hy4 h ILE 67 CO -0.03 0.25 0.59 0.40 0.00 0.00 0.00 178.15 179.36 3hy4 h ILE 68 N 0.96 1.20 -0.82 -0.67 2.04 -0.67 -0.29 117.51 119.26 3hy4 h ILE 68 Ca 0.24 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 3hy4 h ILE 68 Cb 0.07 -0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.02 3hy4 h ILE 68 CO -0.04 0.22 0.42 0.11 0.00 0.00 0.00 178.15 178.86 3hy4 h LYS 69 N 1.19 1.16 0.00 2.37 1.57 -0.93 -1.95 116.57 119.97 3hy4 h LYS 69 Ca 0.34 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 3hy4 h LYS 69 Cb -0.08 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.00 3hy4 h LYS 69 CO -0.09 0.87 -0.28 0.22 -0.57 0.00 0.00 179.45 179.60 3hy4 h ASP 70 N 1.15 0.00 -0.39 0.86 3.58 -0.96 -2.72 116.42 117.93 3hy4 h ASP 70 Ca 0.28 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.71 3hy4 h ASP 70 Cb 0.08 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 3hy4 h ASP 70 CO -0.04 0.28 0.16 0.40 -2.88 0.00 0.00 179.24 177.16 3hy4 h ILE 71 N 0.00 1.19 -0.01 2.25 2.04 -0.29 -3.05 117.51 119.65 3hy4 h ILE 71 Ca -0.00 -0.60 -0.23 0.00 1.00 0.00 0.00 64.86 65.03 3hy4 h ILE 71 Cb 0.84 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3hy4 h ILE 71 CO 0.04 0.22 -0.93 -0.26 0.00 0.00 0.00 178.15 177.21 3hy4 h PHE 72 N 0.49 0.67 -0.33 1.37 0.04 -1.39 -2.67 116.94 115.12 3hy4 h PHE 72 Ca 0.13 -0.36 0.10 0.00 2.80 0.00 0.00 57.97 60.64 3hy4 h PHE 72 Cb 0.19 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 3hy4 h PHE 72 CO -0.00 1.18 0.25 1.96 -0.60 0.00 0.00 178.31 181.09 3hy4 h GLN 73 N 0.26 0.00 -0.77 1.51 4.20 -1.49 -2.27 115.11 116.56 3hy4 h GLN 73 Ca -0.08 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 58.22 3hy4 h GLN 73 Cb 1.57 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 29.11 3hy4 h GLN 73 CO 0.17 0.00 0.39 0.54 -0.67 0.00 0.00 178.83 179.25 3hy4 n ARG 74 N -4.34 2.13 -4.31 1.46 1.74 -1.16 -4.94 116.66 107.24 3hy4 n ARG 74 Ca 0.05 -3.10 -0.35 0.00 -0.77 0.00 0.00 57.85 53.68 3hy4 n ARG 74 Cb 0.42 -2.06 -0.07 0.00 -1.02 0.00 0.00 32.46 29.74 3hy4 n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hy4 n GLY 75 N -1.13 -0.29 3.90 -0.13 0.00 -0.85 -4.95 105.19 101.73 3hy4 n GLY 75 Ca 0.51 0.13 -0.31 0.00 0.00 0.00 0.00 46.02 46.35 3hy4 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hy4 s LYS 76 N -7.12 3.66 -0.55 1.61 1.02 -1.02 -5.05 119.74 112.29 3hy4 s LYS 76 Ca 0.41 -0.01 -0.24 0.00 0.02 0.00 0.00 55.97 56.15 3hy4 s LYS 76 Cb -0.23 -2.77 0.04 0.00 -0.52 0.00 0.00 37.83 34.34 3hy4 s LYS 76 CO 0.98 0.39 0.96 0.42 -0.92 0.00 0.00 175.35 177.18 3hy4 s ILE 77 N -1.77 4.36 0.05 2.17 -1.09 0.00 -4.71 121.20 120.21 3hy4 s ILE 77 Ca 0.43 0.31 -0.22 0.00 -2.23 0.00 0.00 60.65 58.94 3hy4 s ILE 77 Cb -0.12 -4.55 -0.06 0.00 -1.58 0.00 0.00 42.46 36.15 3hy4 s ILE 77 CO 0.25 -1.13 0.64 0.00 -1.23 0.00 0.00 174.94 173.46 3hy4 s PHE 79 N -0.55 1.29 0.07 0.00 0.08 0.11 -2.02 117.98 116.96 3hy4 s PHE 79 Ca 0.32 -0.33 0.05 0.00 0.12 0.00 0.00 56.93 57.09 3hy4 s PHE 79 Cb -0.20 -0.78 -0.03 0.00 -0.57 0.00 0.00 43.02 41.44 3hy4 s PHE 79 CO 0.20 0.03 -0.14 0.96 -0.10 0.00 0.00 175.22 176.16 3hy4 s ILE 80 N -0.74 1.14 0.58 0.64 -4.36 0.17 -0.67 121.20 117.95 3hy4 s ILE 80 Ca 0.03 -1.30 -0.21 0.00 -0.26 0.00 0.00 60.65 58.91 3hy4 s ILE 80 Cb -0.07 -1.09 -0.04 0.00 1.25 0.00 0.00 42.46 42.51 3hy4 s ILE 80 CO 0.01 -0.21 1.35 -2.84 0.24 0.00 0.00 174.94 173.49 3hy4 s PRO 81 N -1.72 2.93 -0.33 0.37 0.02 -1.26 -0.27 135.00 134.74 3hy4 s PRO 81 Ca -0.02 2.21 -0.01 0.00 0.02 0.00 0.00 61.00 63.20 3hy4 s PRO 81 Cb -0.10 -2.12 0.11 0.00 0.02 0.00 0.00 34.50 32.41 3hy4 s PRO 81 CO 0.02 -1.35 0.15 0.50 -0.33 0.00 0.00 177.00 176.00 3hy4 s ARG 82 N -3.06 0.61 0.30 5.54 3.52 0.16 -4.77 118.95 121.25 3hy4 s ARG 82 Ca 0.75 -1.11 -0.01 0.00 -0.13 0.00 0.00 55.73 55.23 3hy4 s ARG 82 Cb -0.40 -1.65 -0.04 0.00 -1.56 0.00 0.00 34.95 31.29 3hy4 s ARG 82 CO 0.46 -1.07 0.52 1.52 -0.81 0.00 0.00 175.30 175.91 3hy4 s TYR 83 N 1.45 3.49 -0.09 5.12 1.13 -1.26 -2.04 117.35 125.14 3hy4 s TYR 83 Ca 0.13 0.43 0.01 0.00 -1.41 0.00 0.00 57.07 56.23 3hy4 s TYR 83 Cb -0.19 -1.95 -0.02 0.00 -1.10 0.00 0.00 41.96 38.70 3hy4 s TYR 83 CO -0.19 0.19 -0.12 1.03 -2.51 0.00 0.00 175.55 173.95 3hy4 s ARG 84 N -3.88 2.99 0.42 -3.49 0.52 -0.14 -4.97 118.95 110.40 3hy4 s ARG 84 Ca 0.41 -0.66 0.23 0.00 -0.52 0.00 0.00 55.73 55.18 3hy4 s ARG 84 Cb -0.10 -2.55 0.57 0.00 0.52 0.00 0.00 34.95 33.39 3hy4 s ARG 84 CO 0.33 0.42 1.68 0.27 0.02 0.00 0.00 175.30 178.02 3hy4 h PHE 85 N 6.02 0.00 0.08 -0.53 -0.00 -1.99 -3.25 116.94 117.28 3hy4 h PHE 85 Ca -0.36 0.00 0.01 0.00 -0.00 0.00 0.00 57.97 57.61 3hy4 h PHE 85 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.12 3hy4 h PHE 85 CO 0.51 0.16 -0.11 1.96 -0.00 0.00 0.00 178.31 180.83 3hy4 h GLN 86 N 0.00 -0.22 0.00 6.09 7.50 -1.96 -3.47 115.11 123.05 3hy4 h GLN 86 Ca -0.00 0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.16 3hy4 h GLN 86 Cb 0.96 0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.54 3hy4 h GLN 86 CO 0.02 -0.15 0.00 -1.13 -1.50 0.00 0.00 178.83 176.07 3hy4 n SER 87 N -5.23 0.00 -1.24 1.46 3.41 -1.23 -5.04 113.62 105.76 3hy4 n SER 87 Ca -0.07 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.47 3hy4 n SER 87 Cb 0.15 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.26 3hy4 n SER 87 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hy4 n ASN 88 N 0.00 3.00 -4.88 4.04 6.94 -1.26 -4.85 115.26 118.25 3hy4 n ASN 88 Ca 0.00 -3.82 -0.35 0.00 -0.02 0.00 0.00 54.58 50.39 3hy4 n ASN 88 Cb 0.00 -0.57 -0.05 0.00 -2.36 0.00 0.00 39.78 36.80 3hy4 n ASN 88 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 3hy4 s HIS 89 N -3.35 3.59 -0.27 -2.53 2.46 -1.26 -4.39 115.29 109.53 3hy4 s HIS 89 Ca 0.45 0.57 -0.24 0.00 0.47 0.00 0.00 55.06 56.31 3hy4 s HIS 89 Cb 0.40 -1.99 0.08 0.00 -0.13 0.00 0.00 32.58 30.95 3hy4 s HIS 89 CO -0.02 0.63 0.77 0.00 -2.47 0.00 0.00 174.74 173.66 3hy4 s MET 90 N -1.65 0.77 0.13 2.88 0.23 -1.26 -0.97 119.30 119.43 3hy4 s MET 90 Ca 0.26 0.94 0.07 0.00 -1.03 0.00 0.00 55.69 55.93 3hy4 s MET 90 Cb -0.13 0.36 -0.04 0.00 -1.53 0.00 0.00 34.83 33.49 3hy4 s MET 90 CO 0.15 -0.10 -0.08 -0.51 -2.03 0.00 0.00 175.02 172.45 3hy4 s ASP 91 N 0.45 4.48 -0.29 -1.18 1.01 -0.87 -4.89 116.67 115.39 3hy4 s ASP 91 Ca -0.00 -0.41 -0.23 0.00 0.71 0.00 0.00 52.55 52.63 3hy4 s ASP 91 Cb -0.05 -0.87 -0.00 0.00 1.01 0.00 0.00 42.92 43.00 3hy4 s ASP 91 CO -0.02 0.15 0.74 -0.04 0.21 0.00 0.00 175.17 176.22 3hy4 s MET 92 N -2.45 4.00 -0.06 8.23 -1.94 -1.26 0.39 119.30 126.21 3hy4 s MET 92 Ca 0.23 0.57 0.01 0.00 -1.71 0.00 0.00 55.69 54.80 3hy4 s MET 92 Cb -0.10 -3.71 -0.03 0.00 2.01 0.00 0.00 34.83 33.00 3hy4 s MET 92 CO 0.15 -0.61 -0.07 0.14 -0.01 0.00 0.00 175.02 174.63 3hy4 s VAL 93 N 2.82 3.69 0.07 -6.03 -7.23 0.63 -0.92 120.40 113.42 3hy4 s VAL 93 Ca 0.31 -0.52 -0.30 0.00 -1.81 0.00 0.00 61.98 59.66 3hy4 s VAL 93 Cb -0.15 -2.52 -0.05 0.00 0.56 0.00 0.00 36.38 34.23 3hy4 s VAL 93 CO 0.11 0.57 1.01 -0.60 -0.31 0.00 0.00 175.10 175.89 3hy4 s ARG 94 N -0.88 4.60 0.05 4.82 3.52 -0.49 -0.66 118.95 129.90 3hy4 s ARG 94 Ca 0.13 1.51 0.03 0.00 -0.13 0.00 0.00 55.73 57.27 3hy4 s ARG 94 Cb -0.11 -3.40 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 3hy4 s ARG 94 CO 0.02 0.03 0.00 0.96 -0.81 0.00 0.00 175.30 175.50 3hy4 s ILE 95 N 0.52 4.08 -0.13 4.11 -4.36 -0.86 -4.70 121.20 119.86 3hy4 s ILE 95 Ca 0.51 -0.82 0.18 0.00 -0.26 0.00 0.00 60.65 60.26 3hy4 s ILE 95 Cb -0.24 -2.89 -0.23 0.00 1.25 0.00 0.00 42.46 40.36 3hy4 s ILE 95 CO 0.30 0.23 0.46 -0.62 0.24 0.00 0.00 174.94 175.55 3hy4 n GLU 96 N 0.93 0.66 -3.57 0.37 -0.58 -1.26 -4.42 120.64 112.76 3hy4 n GLU 96 Ca -0.12 0.04 -0.12 0.00 -0.42 0.00 0.00 57.16 56.54 3hy4 n GLU 96 Cb 0.52 -1.63 -0.04 0.00 -0.57 0.00 0.00 31.44 29.71 3hy4 n GLU 96 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3hy4 s SER 97 N -5.38 -0.37 0.45 1.62 1.04 -1.26 -5.04 113.70 104.76 3hy4 s SER 97 Ca -0.07 -0.08 0.21 0.00 0.48 0.00 0.00 55.95 56.49 3hy4 s SER 97 Cb 0.09 0.50 1.08 0.00 0.10 0.00 0.00 66.02 67.80 3hy4 s SER 97 CO 0.84 -0.83 1.94 -0.65 0.98 0.00 0.00 173.24 175.53 3hy4 h PRO 98 N 2.45 0.00 -0.14 4.02 0.11 -1.94 -2.26 132.00 134.25 3hy4 h PRO 98 Ca -0.33 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.71 3hy4 h PRO 98 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3hy4 h PRO 98 CO 0.43 0.23 -0.22 0.93 -0.21 0.00 0.00 178.00 179.16 3hy4 h GLU 99 N 0.00 0.24 -0.33 1.05 3.07 -2.02 -2.56 114.58 114.03 3hy4 h GLU 99 Ca -0.00 -0.07 0.04 0.00 -0.50 0.00 0.00 59.36 58.82 3hy4 h GLU 99 Cb 0.52 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 3hy4 h GLU 99 CO 0.03 0.46 0.22 1.49 -1.40 0.00 0.00 179.01 179.81 3hy4 h GLU 100 N 0.22 0.28 -0.63 2.33 4.81 -1.82 -1.41 114.58 118.37 3hy4 h GLU 100 Ca 0.04 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.36 3hy4 h GLU 100 Cb 0.52 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 3hy4 h GLU 100 CO 0.04 0.18 0.42 0.82 -0.73 0.00 0.00 179.01 179.74 3hy4 h ILE 101 N 0.29 0.87 -0.00 2.32 2.04 -1.57 -1.77 117.51 119.69 3hy4 h ILE 101 Ca 0.14 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3hy4 h ILE 101 Cb 0.20 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3hy4 h ILE 101 CO -0.03 0.07 -0.04 -1.20 0.00 0.00 0.00 178.15 176.96 3hy4 n SER 102 N -4.47 0.22 -0.08 1.72 7.64 -0.53 -3.31 113.62 114.81 3hy4 n SER 102 Ca 0.11 -0.56 -0.08 0.00 1.01 0.00 0.00 58.87 59.35 3hy4 n SER 102 Cb 0.41 -0.13 -0.12 0.00 -1.01 0.00 0.00 64.21 63.36 3hy4 n SER 102 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3hy4 n LEU 103 N -1.04 0.19 -4.52 -3.43 4.77 -0.68 -5.03 117.00 107.26 3hy4 n LEU 103 Ca 0.17 -0.01 -0.37 0.00 -0.03 0.00 0.00 56.01 55.78 3hy4 n LEU 103 Cb 0.23 0.31 0.06 0.00 -2.33 0.00 0.00 43.42 41.69 3hy4 n LEU 103 CO 0.22 0.41 0.23 0.18 -1.33 0.00 0.00 177.39 177.09 3hy4 n LEU 104 N -2.60 1.79 -4.64 2.23 4.77 -1.09 -5.00 117.00 112.46 3hy4 n LEU 104 Ca -0.26 0.67 -0.30 0.00 -0.03 0.00 0.00 56.01 56.10 3hy4 n LEU 104 Cb 0.99 -1.27 0.22 0.00 -2.33 0.00 0.00 43.42 41.03 3hy4 n LEU 104 CO 0.32 -2.70 0.64 -2.84 -1.33 0.00 0.00 177.39 171.48 3hy4 s PRO 105 N -2.70 -0.62 0.05 3.23 0.02 -1.24 -4.79 135.00 128.94 3hy4 s PRO 105 Ca 0.70 0.07 0.02 0.00 0.02 0.00 0.00 61.00 61.80 3hy4 s PRO 105 Cb -0.38 -1.65 -0.03 0.00 0.02 0.00 0.00 34.50 32.46 3hy4 s PRO 105 CO 0.54 -3.34 -0.07 0.15 -0.33 0.00 0.00 177.00 173.95 3hy4 s LYS 106 N -5.31 0.55 0.23 5.54 1.02 -1.26 -1.60 119.74 118.91 3hy4 s LYS 106 Ca 0.69 -0.87 -0.02 0.00 0.02 0.00 0.00 55.97 55.80 3hy4 s LYS 106 Cb -0.12 -0.18 0.05 0.00 -0.52 0.00 0.00 37.83 37.06 3hy4 s LYS 106 CO 0.56 0.01 0.31 0.25 -0.92 0.00 0.00 175.35 175.56 3hy4 n THR 107 N 1.13 0.00 0.27 2.17 -2.24 0.59 -4.83 114.28 111.37 3hy4 n THR 107 Ca -0.21 -0.35 0.13 0.00 -2.27 0.00 0.00 64.05 61.36 3hy4 n THR 107 Cb 0.56 -1.55 0.75 0.00 -2.10 0.00 0.00 70.33 67.99 3hy4 n THR 107 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3hy4 h SER 108 N -0.31 0.00 -0.23 3.42 4.64 -2.02 0.69 113.55 119.75 3hy4 h SER 108 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3hy4 h SER 108 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3hy4 h SER 108 CO 0.09 0.10 0.00 0.79 -0.87 0.00 0.00 176.83 176.94 3hy4 n TRP 109 N -3.60 0.31 -3.40 4.77 7.02 -1.26 -4.88 117.44 116.39 3hy4 n TRP 109 Ca -0.02 -0.15 -0.25 0.00 -1.02 0.00 0.00 57.50 56.06 3hy4 n TRP 109 Cb 0.23 -0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.14 3hy4 n TRP 109 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3hy4 n ASN 110 N 0.16 -4.91 -4.61 -0.99 3.02 0.24 -4.98 115.26 103.19 3hy4 n ASN 110 Ca 0.08 -0.46 -0.35 0.00 -0.03 0.00 0.00 54.58 53.82 3hy4 n ASN 110 Cb 0.19 -3.97 -0.10 0.00 -0.61 0.00 0.00 39.78 35.29 3hy4 n ASN 110 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hy4 s ILE 111 N -3.12 4.74 0.05 2.41 -1.09 -1.26 -4.76 121.20 118.18 3hy4 s ILE 111 Ca 0.45 -0.05 -0.30 0.00 -2.23 0.00 0.00 60.65 58.52 3hy4 s ILE 111 Cb -0.22 -3.15 -0.05 0.00 -1.58 0.00 0.00 42.46 37.47 3hy4 s ILE 111 CO 0.55 0.45 1.06 -2.84 -1.23 0.00 0.00 174.94 172.92 3hy4 s PRO 112 N 0.51 4.54 0.00 2.79 0.02 -1.26 -0.30 135.00 141.30 3hy4 s PRO 112 Ca 0.03 1.56 -0.28 0.00 0.02 0.00 0.00 61.00 62.33 3hy4 s PRO 112 Cb -0.13 -3.39 0.09 0.00 0.02 0.00 0.00 34.50 31.09 3hy4 s PRO 112 CO 0.01 -0.06 0.76 1.14 -0.33 0.00 0.00 177.00 178.52 3hy4 s GLN 113 N 0.73 0.98 0.38 5.54 -2.07 -0.63 -4.95 119.66 119.64 3hy4 s GLN 113 Ca 0.53 -0.10 -0.27 0.00 -1.82 0.00 0.00 55.36 53.70 3hy4 s GLN 113 Cb -0.25 0.46 -0.11 0.00 -1.09 0.00 0.00 33.01 32.02 3hy4 s GLN 113 CO 0.29 -0.38 1.35 -2.30 -1.32 0.00 0.00 175.29 172.93 3hy4 n PRO 114 N 0.24 2.23 0.00 9.60 -0.02 -1.26 -3.73 135.00 142.06 3hy4 n PRO 114 Ca -0.14 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3hy4 n PRO 114 Cb 0.61 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3hy4 n PRO 114 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hy4 n GLY 115 N 0.68 -0.40 0.14 -1.23 0.00 -1.26 -4.97 105.19 98.15 3hy4 n GLY 115 Ca 0.04 -1.47 -0.06 0.00 0.00 0.00 0.00 46.02 44.54 3hy4 n GLY 115 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hy4 h GLU 116 N 0.00 -0.24 0.00 1.61 5.08 -2.04 -3.33 114.58 115.66 3hy4 h GLU 116 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3hy4 h GLU 116 Cb 0.00 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3hy4 h GLU 116 CO 0.00 -0.05 0.00 0.41 -1.00 0.00 0.00 179.01 178.37 3hy4 n GLY 117 N 1.04 -0.93 3.60 -3.84 0.00 -1.26 -4.62 105.19 99.18 3hy4 n GLY 117 Ca -0.04 0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 3hy4 n GLY 117 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hy4 s ASP 118 N -3.58 6.50 -0.38 1.61 -1.08 -1.25 -4.98 116.67 113.51 3hy4 s ASP 118 Ca 0.02 0.71 -0.26 0.00 -0.52 0.00 0.00 52.55 52.50 3hy4 s ASP 118 Cb 0.06 -2.54 0.02 0.00 -1.46 0.00 0.00 42.92 39.00 3hy4 s ASP 118 CO 0.22 -1.32 0.95 -0.69 0.52 0.00 0.00 175.17 174.85 3hy4 s VAL 119 N 4.91 4.55 0.08 1.11 1.01 -1.26 -4.84 120.40 125.96 3hy4 s VAL 119 Ca 0.55 1.19 0.05 0.00 0.00 0.00 0.00 61.98 63.78 3hy4 s VAL 119 Cb -0.11 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 3hy4 s VAL 119 CO 0.31 -0.58 -0.04 -0.13 0.00 0.00 0.00 175.10 174.66 3hy4 s ARG 120 N 3.55 2.40 -0.24 2.72 1.81 -1.26 -5.07 118.95 122.87 3hy4 s ARG 120 Ca 0.39 -0.89 -0.29 0.00 -1.72 0.00 0.00 55.73 53.22 3hy4 s ARG 120 Cb -0.12 -2.45 -0.02 0.00 -0.45 0.00 0.00 34.95 31.91 3hy4 s ARG 120 CO 0.20 0.54 1.48 -2.00 -0.68 0.00 0.00 175.30 174.83 3hy4 s GLU 121 N -2.15 3.89 -0.09 3.54 2.12 -1.26 -4.92 118.70 119.83 3hy4 s GLU 121 Ca 0.23 1.53 -0.21 0.00 0.36 0.00 0.00 54.97 56.89 3hy4 s GLU 121 Cb -0.11 -3.96 -0.04 0.00 0.26 0.00 0.00 34.13 30.28 3hy4 s GLU 121 CO 0.15 -1.17 0.58 -1.21 -0.54 0.00 0.00 175.26 173.08 3hy4 s GLU 122 N 4.38 4.38 0.22 4.30 2.02 -1.26 -1.40 118.70 131.34 3hy4 s GLU 122 Ca 0.65 0.66 -0.14 0.00 0.02 0.00 0.00 54.97 56.15 3hy4 s GLU 122 Cb -0.22 -3.44 0.26 0.00 0.10 0.00 0.00 34.13 30.83 3hy4 s GLU 122 CO 0.26 0.13 1.60 0.00 0.02 0.00 0.00 175.26 177.26 3hy4 h ALA 123 N 6.69 0.33 0.00 5.21 0.00 -1.39 0.21 119.26 130.31 3hy4 h ALA 123 Ca -0.41 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3hy4 h ALA 123 Cb 1.19 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.64 3hy4 h ALA 123 CO 0.75 -0.50 0.00 1.28 0.00 0.00 0.00 179.25 180.79 3hy4 n LEU 124 N -5.48 0.00 -0.02 0.00 4.77 -1.26 -1.71 117.00 113.29 3hy4 n LEU 124 Ca 0.09 0.21 0.12 0.00 -0.03 0.00 0.00 56.01 56.40 3hy4 n LEU 124 Cb 0.38 -0.21 0.31 0.00 -2.33 0.00 0.00 43.42 41.56 3hy4 n LEU 124 CO -0.01 -0.09 0.53 -1.54 -1.33 0.00 0.00 177.39 174.95 3hy4 n SER 125 N -1.21 0.49 -0.42 -1.43 3.41 0.72 -4.34 113.62 110.84 3hy4 n SER 125 Ca 0.10 -0.24 0.02 0.00 -0.26 0.00 0.00 58.87 58.49 3hy4 n SER 125 Cb 0.12 0.16 0.02 0.00 -0.26 0.00 0.00 64.21 64.26 3hy4 n SER 125 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3hy4 n THR 126 N -1.42 0.33 0.00 6.66 -2.24 -0.70 -4.99 114.28 111.93 3hy4 n THR 126 Ca 0.06 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3hy4 n THR 126 Cb 0.34 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 3hy4 n THR 126 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hy4 n GLY 127 N -0.25 0.52 7.00 3.38 0.00 -1.13 -5.07 105.19 109.64 3hy4 n GLY 127 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3hy4 n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hy4 n GLY 128 N 0.00 -0.28 3.16 -0.02 0.00 -0.77 -4.89 105.19 102.39 3hy4 n GLY 128 Ca 0.00 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 3hy4 n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hy4 s LEU 129 N 0.00 2.08 -0.00 0.99 1.43 -1.26 -4.70 118.68 117.22 3hy4 s LEU 129 Ca 0.00 -0.36 -0.19 0.00 -1.03 0.00 0.00 54.13 52.56 3hy4 s LEU 129 Cb 0.00 -0.81 -0.34 0.00 0.03 0.00 0.00 46.19 45.08 3hy4 s LEU 129 CO 0.00 0.16 0.96 0.44 0.23 0.00 0.00 176.35 178.14 3hy4 h ASP 130 N 5.45 0.68 -3.50 2.29 3.32 -1.13 -3.38 116.42 120.15 3hy4 h ASP 130 Ca -0.37 -0.93 -0.27 0.00 0.02 0.00 0.00 57.03 55.48 3hy4 h ASP 130 Cb 1.16 -0.22 -0.32 0.00 0.22 0.00 0.00 39.33 40.16 3hy4 h ASP 130 CO 0.47 1.56 -0.67 -0.22 -1.72 0.00 0.00 179.24 178.67 3hy4 s LEU 131 N -7.74 0.97 -0.24 1.55 2.96 -1.11 -1.96 118.68 113.11 3hy4 s LEU 131 Ca -0.11 0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.93 3hy4 s LEU 131 Cb 0.03 0.14 0.01 0.00 0.50 0.00 0.00 46.19 46.87 3hy4 s LEU 131 CO 0.90 -0.13 -0.06 -0.63 -1.32 0.00 0.00 176.35 175.11 3hy4 s ILE 132 N 1.03 3.06 -0.11 6.68 1.01 -0.58 -0.90 121.20 131.40 3hy4 s ILE 132 Ca -0.08 -0.80 -0.30 0.00 0.00 0.00 0.00 60.65 59.47 3hy4 s ILE 132 Cb -0.11 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 3hy4 s ILE 132 CO -0.04 0.30 1.09 -0.36 0.00 0.00 0.00 174.94 175.94 3hy4 s PHE 133 N 1.39 3.34 -0.20 3.97 0.08 0.65 -0.64 117.98 126.56 3hy4 s PHE 133 Ca 0.03 1.41 -0.07 0.00 0.12 0.00 0.00 56.93 58.42 3hy4 s PHE 133 Cb -0.15 -3.30 -0.04 0.00 -0.57 0.00 0.00 43.02 38.96 3hy4 s PHE 133 CO -0.04 -0.73 0.06 -1.64 -0.10 0.00 0.00 175.22 172.77 3hy4 s MET 134 N 2.33 3.83 0.73 0.44 -1.94 0.65 -4.49 119.30 120.84 3hy4 s MET 134 Ca 0.51 -0.41 -0.09 0.00 -1.71 0.00 0.00 55.69 53.99 3hy4 s MET 134 Cb -0.20 -3.23 0.16 0.00 2.01 0.00 0.00 34.83 33.57 3hy4 s MET 134 CO 0.18 0.10 0.99 -0.35 -0.01 0.00 0.00 175.02 175.93 3hy4 n PRO 135 N 4.05 -0.68 0.00 2.03 -0.04 -1.26 -3.00 135.00 136.10 3hy4 n PRO 135 Ca -0.16 -1.87 0.00 0.00 -0.04 0.00 0.00 63.50 61.43 3hy4 n PRO 135 Cb 0.52 -0.92 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 3hy4 n PRO 135 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hy4 n GLY 136 N -1.80 3.88 0.22 0.55 0.00 -1.26 -4.94 105.19 101.83 3hy4 n GLY 136 Ca 0.14 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 3hy4 n GLY 136 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hy4 h LEU 137 N 0.00 0.76 -7.37 0.99 3.38 -0.69 -3.47 115.31 108.90 3hy4 h LEU 137 Ca 0.00 -0.47 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 3hy4 h LEU 137 Cb 0.00 -0.21 -0.17 0.00 0.09 0.00 0.00 40.66 40.37 3hy4 h LEU 137 CO 0.00 1.07 -0.10 -0.83 0.09 0.00 0.00 178.44 178.67 3hy4 s GLY 138 N -3.67 -0.28 0.02 0.83 0.00 -1.16 -4.74 107.32 98.32 3hy4 s GLY 138 Ca -0.12 0.32 -0.00 0.00 0.00 0.00 0.00 44.72 44.92 3hy4 s GLY 138 CO 0.83 0.06 -0.02 -1.36 0.00 0.00 0.00 173.10 172.61 3hy4 s PHE 139 N -2.47 0.26 0.33 1.90 0.08 -0.86 0.11 117.98 117.33 3hy4 s PHE 139 Ca -0.05 -0.54 0.08 0.00 0.12 0.00 0.00 56.93 56.53 3hy4 s PHE 139 Cb -0.01 -0.19 -0.03 0.00 -0.57 0.00 0.00 43.02 42.22 3hy4 s PHE 139 CO -0.02 -0.20 0.24 0.16 -0.10 0.00 0.00 175.22 175.30 3hy4 s ASP 140 N -1.52 5.15 0.47 1.36 1.47 -1.13 -0.22 116.67 122.24 3hy4 s ASP 140 Ca -0.15 -0.54 0.32 0.00 1.18 0.00 0.00 52.55 53.35 3hy4 s ASP 140 Cb -0.09 -0.95 1.43 0.00 -0.34 0.00 0.00 42.92 42.98 3hy4 s ASP 140 CO -0.01 -0.31 1.95 0.11 0.68 0.00 0.00 175.17 177.59 3hy4 h LYS 141 N 1.35 0.00 0.00 2.11 1.57 -1.81 -0.88 116.57 118.92 3hy4 h LYS 141 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3hy4 h LYS 141 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3hy4 h LYS 141 CO 0.60 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 180.20 3hy4 n HIS 142 N -2.77 0.00 0.00 -1.35 8.25 -1.26 -4.88 115.22 113.20 3hy4 n HIS 142 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3hy4 n HIS 142 Cb 0.22 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 30.89 3hy4 n HIS 142 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hy4 n GLY 143 N 0.42 0.75 3.74 -1.41 0.00 -0.33 -4.98 105.19 103.38 3hy4 n GLY 143 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3hy4 n GLY 143 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hy4 s ASN 144 N -1.96 4.16 -0.01 1.61 -0.87 -1.25 -1.91 114.94 114.70 3hy4 s ASN 144 Ca 0.00 1.97 0.06 0.00 -1.57 0.00 0.00 52.86 53.32 3hy4 s ASN 144 Cb 0.00 -2.54 -0.02 0.00 -0.02 0.00 0.00 41.25 38.67 3hy4 s ASN 144 CO 0.00 -2.27 -0.20 -0.60 -2.57 0.00 0.00 177.10 171.46 3hy4 s ARG 145 N -4.68 1.59 -0.47 -0.60 3.52 -1.26 -2.85 118.95 114.19 3hy4 s ARG 145 Ca 0.64 -0.75 -0.10 0.00 -0.13 0.00 0.00 55.73 55.39 3hy4 s ARG 145 Cb -0.20 -1.56 0.11 0.00 -1.56 0.00 0.00 34.95 31.75 3hy4 s ARG 145 CO 0.54 0.42 0.35 -1.17 -0.81 0.00 0.00 175.30 174.64 3hy4 s LEU 146 N -0.58 5.69 1.04 -0.88 2.96 0.30 -4.90 118.68 122.30 3hy4 s LEU 146 Ca 0.08 -1.84 -0.18 0.00 -0.22 0.00 0.00 54.13 51.97 3hy4 s LEU 146 Cb -0.08 -2.03 0.24 0.00 0.50 0.00 0.00 46.19 44.82 3hy4 s LEU 146 CO -0.00 -0.69 1.30 -0.83 -1.32 0.00 0.00 176.35 174.80 3hy4 s GLY 147 N 2.70 1.77 0.00 7.98 0.00 -1.26 -0.02 107.32 118.49 3hy4 s GLY 147 Ca 0.05 -1.25 0.31 0.00 0.00 0.00 0.00 44.72 43.83 3hy4 s GLY 147 CO 0.00 -0.41 2.18 0.54 0.00 0.00 0.00 173.10 175.42 3hy4 n ARG 148 N -4.07 0.98 0.00 2.90 1.74 -1.26 -4.59 116.66 112.36 3hy4 n ARG 148 Ca 0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 3hy4 n ARG 148 Cb 0.59 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 3hy4 n ARG 148 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hy4 n GLY 149 N 0.95 0.41 0.06 -0.13 0.00 -1.26 -4.94 105.19 100.28 3hy4 n GLY 149 Ca 0.23 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.37 3hy4 n GLY 149 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hy4 n LYS 150 N -1.69 0.17 -1.48 1.61 4.76 -1.26 -4.97 118.16 115.30 3hy4 n LYS 150 Ca 0.00 -0.12 -0.03 0.00 -2.87 0.00 0.00 58.31 55.29 3hy4 n LYS 150 Cb 0.00 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.68 3hy4 n LYS 150 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hy4 n GLY 151 N 1.48 0.47 0.05 0.72 0.00 -1.26 -4.65 105.19 102.00 3hy4 n GLY 151 Ca 0.06 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 3hy4 n GLY 151 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3hy4 h TYR 152 N 0.00 -0.00 -0.07 1.61 -1.99 -1.94 -2.87 116.97 111.71 3hy4 h TYR 152 Ca -0.07 -0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.47 3hy4 h TYR 152 Cb 0.54 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.29 3hy4 h TYR 152 CO 0.09 0.31 -0.71 1.88 -0.00 0.00 0.00 178.16 179.73 3hy4 h TYR 153 N -0.31 0.85 -0.77 4.88 -1.99 -1.93 -2.10 116.97 115.59 3hy4 h TYR 153 Ca -0.00 -0.41 0.11 0.00 2.00 0.00 0.00 58.73 60.43 3hy4 h TYR 153 Cb 0.31 -0.12 -0.08 0.00 2.00 0.00 0.00 36.73 38.85 3hy4 h TYR 153 CO 0.03 1.23 0.40 -0.44 -0.00 0.00 0.00 178.16 179.37 3hy4 h ASP 154 N 0.23 0.51 -0.38 3.88 3.32 -1.98 -0.05 116.42 121.95 3hy4 h ASP 154 Ca -0.07 0.07 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 3hy4 h ASP 154 Cb 1.37 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.89 3hy4 h ASP 154 CO 0.14 0.26 -0.30 0.00 -1.72 0.00 0.00 179.24 177.63 3hy4 h ALA 155 N 1.48 0.55 -0.44 3.45 0.00 -1.46 -3.02 119.26 119.82 3hy4 h ALA 155 Ca 0.39 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3hy4 h ALA 155 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3hy4 h ALA 155 CO -0.30 0.59 -0.05 -0.92 0.00 0.00 0.00 179.25 178.57 3hy4 h TYR 156 N 0.68 0.89 -0.97 0.00 3.20 -0.72 -2.77 116.97 117.29 3hy4 h TYR 156 Ca 0.07 -0.17 0.03 0.00 3.14 0.00 0.00 58.73 61.80 3hy4 h TYR 156 Cb 0.88 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.87 3hy4 h TYR 156 CO 0.06 0.88 0.63 -0.07 -1.64 0.00 0.00 178.16 178.03 3hy4 h LEU 157 N 0.64 1.06 -1.27 2.82 3.38 -1.03 -0.34 115.31 120.56 3hy4 h LEU 157 Ca 0.12 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3hy4 h LEU 157 Cb 0.56 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3hy4 h LEU 157 CO 0.03 0.73 -0.06 0.11 0.09 0.00 0.00 178.44 179.34 3hy4 h LYS 158 N 1.23 0.42 -0.47 1.13 1.57 -1.40 -0.28 116.57 118.76 3hy4 h LYS 158 Ca 0.38 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.97 3hy4 h LYS 158 Cb -0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3hy4 h LYS 158 CO -0.12 0.50 -0.12 0.00 -0.57 0.00 0.00 179.45 179.14 3hy4 h ARG 159 N 0.40 0.88 0.39 3.15 3.08 -0.84 -3.06 114.38 118.38 3hy4 h ARG 159 Ca 0.08 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 3hy4 h ARG 159 Cb 0.36 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3hy4 h ARG 159 CO 0.02 0.95 -0.19 0.00 -1.07 0.00 0.00 179.97 179.68 3hy4 h LEU 161 N -0.58 -0.17 0.00 0.00 4.07 -1.04 0.05 115.31 117.64 3hy4 h LEU 161 Ca -0.05 0.27 0.00 0.00 0.08 0.00 0.00 57.88 58.17 3hy4 h LEU 161 Cb 0.43 0.40 0.00 0.00 1.08 0.00 0.00 40.66 42.57 3hy4 h LEU 161 CO 0.09 -0.36 0.00 0.00 -1.08 0.00 0.00 178.44 177.09 3hy4 n GLN 162 N -5.39 0.00 -0.26 1.13 6.02 -1.05 -3.61 117.38 114.22 3hy4 n GLN 162 Ca 0.28 0.46 0.29 0.00 -0.01 0.00 0.00 57.00 58.02 3hy4 n GLN 162 Cb 0.93 -1.41 0.69 0.00 1.02 0.00 0.00 30.24 31.46 3hy4 n GLN 162 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3hy4 h HIS 163 N 0.00 0.14 -3.40 1.08 3.86 -1.03 -3.42 115.15 112.38 3hy4 h HIS 163 Ca 0.00 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.54 3hy4 h HIS 163 Cb 0.00 -0.04 -0.17 0.00 1.06 0.00 0.00 27.41 28.26 3hy4 h HIS 163 CO 0.19 0.02 -0.65 -0.65 0.86 0.00 0.00 177.93 177.70 3hy4 s GLN 164 N -5.08 3.10 0.02 2.45 -0.21 -0.06 -4.94 119.66 114.95 3hy4 s GLN 164 Ca -0.06 -0.46 -0.14 0.00 0.02 0.00 0.00 55.36 54.72 3hy4 s GLN 164 Cb 0.23 -2.79 -0.08 0.00 1.00 0.00 0.00 33.01 31.37 3hy4 s GLN 164 CO 0.79 0.59 1.14 0.93 -2.12 0.00 0.00 175.29 176.62 3hy4 h GLU 165 N 5.54 -0.48 -5.91 2.91 4.39 -1.83 -3.42 114.58 115.78 3hy4 h GLU 165 Ca -0.46 0.03 -0.59 0.00 0.34 0.00 0.00 59.36 58.68 3hy4 h GLU 165 Cb 1.19 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.88 3hy4 h GLU 165 CO 0.56 -0.32 -0.16 0.14 -1.16 0.00 0.00 179.01 178.07 3hy4 s VAL 166 N -3.97 5.07 0.49 3.13 -7.23 -1.26 -5.07 120.40 111.55 3hy4 s VAL 166 Ca -0.07 0.92 -0.21 0.00 -1.81 0.00 0.00 61.98 60.80 3hy4 s VAL 166 Cb 0.01 -3.77 -0.07 0.00 0.56 0.00 0.00 36.38 33.10 3hy4 s VAL 166 CO 0.22 0.47 1.12 -1.59 -0.31 0.00 0.00 175.10 175.01 3hy4 s LYS 167 N -0.35 3.64 0.54 4.82 -2.85 -1.26 -4.99 119.74 119.29 3hy4 s LYS 167 Ca 0.25 1.63 -0.21 0.00 -1.00 0.00 0.00 55.97 56.64 3hy4 s LYS 167 Cb -0.16 -2.22 -0.05 0.00 -2.06 0.00 0.00 37.83 33.34 3hy4 s LYS 167 CO 0.12 -0.61 1.27 -2.14 0.10 0.00 0.00 175.35 174.09 3hy4 s PRO 168 N -2.98 3.21 -0.23 1.78 0.02 -1.26 -4.97 135.00 130.57 3hy4 s PRO 168 Ca 0.67 2.01 -0.29 0.00 0.02 0.00 0.00 61.00 63.41 3hy4 s PRO 168 Cb -0.25 -2.18 0.00 0.00 0.02 0.00 0.00 34.50 32.10 3hy4 s PRO 168 CO 0.29 -1.06 1.15 -0.47 -0.33 0.00 0.00 177.00 176.57 3hy4 s TYR 169 N -1.44 3.07 -0.35 6.54 5.04 -0.83 -4.88 117.35 124.50 3hy4 s TYR 169 Ca 0.72 1.21 -0.16 0.00 -2.44 0.00 0.00 57.07 56.40 3hy4 s TYR 169 Cb -0.35 -3.49 -0.01 0.00 0.35 0.00 0.00 41.96 38.46 3hy4 s TYR 169 CO 0.40 -1.06 0.39 0.95 -1.34 0.00 0.00 175.55 174.89 3hy4 s THR 170 N 3.51 5.14 -0.34 4.34 -4.23 -1.26 -1.53 115.64 121.28 3hy4 s THR 170 Ca 0.49 0.04 -0.05 0.00 -1.18 0.00 0.00 61.69 60.99 3hy4 s THR 170 Cb -0.17 -3.87 0.05 0.00 1.34 0.00 0.00 72.50 69.85 3hy4 s THR 170 CO 0.12 -0.15 0.09 -0.22 -0.54 0.00 0.00 174.62 173.93 3hy4 s LEU 171 N 2.08 4.28 -0.15 4.79 2.96 0.19 -2.50 118.68 130.33 3hy4 s LEU 171 Ca 0.13 -1.23 -0.23 0.00 -0.22 0.00 0.00 54.13 52.58 3hy4 s LEU 171 Cb -0.16 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 3hy4 s LEU 171 CO 0.12 -0.33 0.71 0.00 -1.32 0.00 0.00 176.35 175.54 3hy4 s ALA 172 N 1.35 3.47 -0.22 5.97 0.00 0.24 -0.26 121.76 132.32 3hy4 s ALA 172 Ca -0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 51.96 51.82 3hy4 s ALA 172 Cb -0.20 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 3hy4 s ALA 172 CO 0.02 -0.44 0.08 -0.51 0.00 0.00 0.00 175.76 174.91 3hy4 s LEU 173 N 1.62 3.74 -0.01 0.00 1.43 -1.16 -0.31 118.68 124.00 3hy4 s LEU 173 Ca 0.34 -0.01 -0.08 0.00 -1.03 0.00 0.00 54.13 53.36 3hy4 s LEU 173 Cb -0.17 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.08 3hy4 s LEU 173 CO 0.13 0.08 0.15 0.00 0.23 0.00 0.00 176.35 176.95 3hy4 s ALA 174 N 0.92 -0.36 0.57 4.21 0.00 -0.86 -4.73 121.76 121.51 3hy4 s ALA 174 Ca 0.04 -0.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.80 3hy4 s ALA 174 Cb -0.14 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 3hy4 s ALA 174 CO 0.03 -0.19 1.09 -0.06 0.00 0.00 0.00 175.76 176.62 3hy4 s PHE 175 N -1.18 2.81 0.37 0.00 0.08 -1.26 -4.19 117.98 114.61 3hy4 s PHE 175 Ca -0.13 1.54 0.15 0.00 0.12 0.00 0.00 56.93 58.61 3hy4 s PHE 175 Cb -0.07 -3.14 1.00 0.00 -0.57 0.00 0.00 43.02 40.24 3hy4 s PHE 175 CO 0.02 -1.33 1.79 0.87 -0.10 0.00 0.00 175.22 176.46 3hy4 h LYS 176 N 0.77 0.49 -0.14 0.44 1.57 -1.93 -0.15 116.57 117.61 3hy4 h LYS 176 Ca -0.48 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.20 3hy4 h LYS 176 Cb 1.24 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 3hy4 h LYS 176 CO 0.57 0.32 -0.21 0.93 -0.57 0.00 0.00 179.45 180.49 3hy4 h GLU 177 N 0.50 0.25 0.00 3.15 3.07 -1.98 -2.84 114.58 116.73 3hy4 h GLU 177 Ca 0.56 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 3hy4 h GLU 177 Cb 1.26 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 3hy4 h GLU 177 CO -0.30 0.45 0.00 1.04 -1.40 0.00 0.00 179.01 178.80 3hy4 n GLN 178 N -4.20 0.18 -2.91 2.33 6.02 -0.07 -4.82 117.38 113.90 3hy4 n GLN 178 Ca -0.01 0.04 -0.41 0.00 -0.01 0.00 0.00 57.00 56.61 3hy4 n GLN 178 Cb 0.33 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.05 3hy4 n GLN 178 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3hy4 s ILE 179 N -2.80 4.93 0.32 5.09 -1.09 -1.07 -2.03 121.20 124.54 3hy4 s ILE 179 Ca 0.19 1.70 0.09 0.00 -2.23 0.00 0.00 60.65 60.40 3hy4 s ILE 179 Cb 0.18 -4.15 -0.05 0.00 -1.58 0.00 0.00 42.46 36.85 3hy4 s ILE 179 CO 0.45 0.24 -0.01 0.00 -1.23 0.00 0.00 174.94 174.39 3hy4 n LEU 181 N -0.91 0.01 -4.11 0.00 0.00 -1.26 -4.14 117.00 106.58 3hy4 n LEU 181 Ca -0.05 0.81 -0.23 0.00 0.00 0.00 0.00 56.01 56.54 3hy4 n LEU 181 Cb 0.62 -0.50 -0.15 0.00 0.00 0.00 0.00 43.42 43.39 3hy4 n LEU 181 CO 0.42 -0.50 -0.48 -1.10 0.00 0.00 0.00 177.39 175.73 3hy4 s GLN 182 N -2.23 1.27 -0.15 1.96 -0.21 -1.26 -4.56 119.66 114.48 3hy4 s GLN 182 Ca 0.00 -0.52 -0.04 0.00 0.02 0.00 0.00 55.36 54.82 3hy4 s GLN 182 Cb 0.00 -1.20 -0.03 0.00 1.00 0.00 0.00 33.01 32.78 3hy4 s GLN 182 CO 0.00 0.29 -0.03 0.08 -2.12 0.00 0.00 175.29 173.52 3hy4 s VAL 183 N -0.24 4.01 0.35 1.09 1.01 -1.26 -5.01 120.40 120.35 3hy4 s VAL 183 Ca 0.04 -0.32 -0.28 0.00 0.00 0.00 0.00 61.98 61.41 3hy4 s VAL 183 Cb -0.07 -2.75 -0.12 0.00 0.00 0.00 0.00 36.38 33.44 3hy4 s VAL 183 CO -0.00 0.50 1.41 -2.65 0.00 0.00 0.00 175.10 174.36 3hy4 n PRO 184 N 3.37 2.40 -4.16 2.72 -0.02 -1.26 -4.98 135.00 133.07 3hy4 n PRO 184 Ca -0.17 0.84 -0.10 0.00 -2.02 0.00 0.00 63.50 62.05 3hy4 n PRO 184 Cb 0.53 -2.51 -0.10 0.00 -0.02 0.00 0.00 33.50 31.40 3hy4 n PRO 184 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3hy4 s VAL 185 N -0.93 0.23 -0.15 -1.45 -7.23 -1.26 -4.93 120.40 104.68 3hy4 s VAL 185 Ca 0.56 -1.92 -0.15 0.00 -1.81 0.00 0.00 61.98 58.66 3hy4 s VAL 185 Cb -0.53 -2.01 -0.06 0.00 0.56 0.00 0.00 36.38 34.34 3hy4 s VAL 185 CO 0.61 -0.52 -0.30 0.59 -0.31 0.00 0.00 175.10 175.17 3hy4 n ASN 186 N -0.11 1.81 0.00 4.85 3.02 -1.26 -5.08 115.26 118.49 3hy4 n ASN 186 Ca -0.06 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 3hy4 n ASN 186 Cb 0.63 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 3hy4 n ASN 186 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3hy4 n ASP 189 N -4.30 2.84 -4.21 6.41 10.43 -1.26 -5.20 116.55 121.25 3hy4 n ASP 189 Ca -0.15 0.00 -0.30 0.00 2.57 0.00 0.00 54.79 56.91 3hy4 n ASP 189 Cb 0.47 0.11 -0.17 0.00 1.84 0.00 0.00 41.12 43.38 3hy4 n ASP 189 CO 0.00 0.00 0.00 -0.04 -1.07 0.00 0.00 177.20 176.09 3hy4 s MET 190 N -1.65 2.46 0.74 -1.24 -1.94 -1.26 -5.14 119.30 111.26 3hy4 s MET 190 Ca 0.00 -0.81 -0.09 0.00 -1.71 0.00 0.00 55.69 53.08 3hy4 s MET 190 Cb 0.00 -2.02 0.06 0.00 2.01 0.00 0.00 34.83 34.88 3hy4 s MET 190 CO 0.00 0.29 1.08 0.15 -0.01 0.00 0.00 175.02 176.52 3hy4 s LYS 191 N 0.04 2.15 -0.00 2.03 1.02 -1.26 -4.49 119.74 119.23 3hy4 s LYS 191 Ca -0.08 -0.08 0.04 0.00 0.02 0.00 0.00 55.97 55.86 3hy4 s LYS 191 Cb -0.14 -2.08 -0.03 0.00 -0.52 0.00 0.00 37.83 35.05 3hy4 s LYS 191 CO 0.05 -1.35 -0.09 0.14 -0.92 0.00 0.00 175.35 173.18 3hy4 s VAL 192 N -3.37 3.49 0.50 3.17 -7.23 -0.80 -5.02 120.40 111.14 3hy4 s VAL 192 Ca 0.61 -0.81 0.18 0.00 -1.81 0.00 0.00 61.98 60.15 3hy4 s VAL 192 Cb -0.11 -2.49 0.32 0.00 0.56 0.00 0.00 36.38 34.66 3hy4 s VAL 192 CO 0.47 0.42 2.07 0.44 -0.31 0.00 0.00 175.10 178.18 3hy4 h ASP 193 N 4.64 0.08 -3.92 4.85 3.32 -1.81 -3.45 116.42 120.12 3hy4 h ASP 193 Ca -0.48 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.59 3hy4 h ASP 193 Cb 1.17 -0.02 -0.23 0.00 0.22 0.00 0.00 39.33 40.47 3hy4 h ASP 193 CO 0.52 0.05 0.37 -0.70 -1.72 0.00 0.00 179.24 177.77 3hy4 s GLU 194 N -5.12 0.69 -0.09 3.56 2.12 -1.16 -5.03 118.70 113.67 3hy4 s GLU 194 Ca -0.06 0.49 0.04 0.00 0.36 0.00 0.00 54.97 55.81 3hy4 s GLU 194 Cb 0.18 0.33 -0.00 0.00 0.26 0.00 0.00 34.13 34.91 3hy4 s GLU 194 CO 0.71 -0.15 -0.23 0.14 -0.54 0.00 0.00 175.26 175.18 3hy4 s VAL 195 N -0.36 2.01 0.08 3.70 -7.23 -1.26 -0.60 120.40 116.74 3hy4 s VAL 195 Ca -0.01 -0.99 0.02 0.00 -1.81 0.00 0.00 61.98 59.19 3hy4 s VAL 195 Cb -0.03 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 3hy4 s VAL 195 CO 0.00 0.55 0.12 -0.76 -0.31 0.00 0.00 175.10 174.70 3hy4 s LEU 196 N 0.31 3.95 0.00 1.32 1.43 0.58 -4.97 118.68 121.31 3hy4 s LEU 196 Ca -0.17 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 3hy4 s LEU 196 Cb -0.17 -2.61 0.00 0.00 0.03 0.00 0.00 46.19 43.44 3hy4 s LEU 196 CO 0.08 0.16 0.00 0.00 0.23 0.00 0.00 176.35 176.83 3hy4 n TYR 197 N 0.34 0.00 -0.19 0.29 0.18 -1.26 -2.03 117.16 114.49 3hy4 n TYR 197 Ca -0.08 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.70 3hy4 n TYR 197 Cb 0.52 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.48 3hy4 n TYR 197 CO 0.00 0.00 0.00 -1.91 -2.08 0.00 0.00 176.86 172.87