#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yeu s HIS 2 N 0.00 2.63 -0.34 2.03 5.04 -1.26 -4.96 115.29 118.43 1yeu s HIS 2 Ca 0.00 -1.24 -0.08 0.00 -1.54 0.00 0.00 55.06 52.20 1yeu s HIS 2 Cb 0.00 -4.63 0.03 0.00 0.04 0.00 0.00 32.58 28.02 1yeu s HIS 2 CO 0.00 -1.72 0.14 -0.51 -2.34 0.00 0.00 174.74 170.31 1yeu s LEU 3 N 5.40 4.38 1.04 8.88 1.02 -1.26 -5.09 118.68 133.05 1yeu s LEU 3 Ca 0.56 -0.99 -0.12 0.00 0.02 0.00 0.00 54.13 53.60 1yeu s LEU 3 Cb 0.03 -1.94 0.22 0.00 0.02 0.00 0.00 46.19 44.52 1yeu s LEU 3 CO 0.08 -0.32 1.07 0.42 0.02 0.00 0.00 176.35 177.62 1yeu s THR 4 N 1.49 2.17 0.27 5.49 -4.23 -1.26 -4.77 115.64 114.80 1yeu s THR 4 Ca 0.01 0.06 -0.02 0.00 -1.18 0.00 0.00 61.69 60.55 1yeu s THR 4 Cb -0.19 -2.26 0.27 0.00 1.34 0.00 0.00 72.50 71.66 1yeu s THR 4 CO 0.04 -0.07 1.89 -0.65 -0.54 0.00 0.00 174.62 175.29 1yeu h PRO 5 N -2.18 1.12 -0.32 3.99 0.11 -1.99 -2.48 132.00 130.25 1yeu h PRO 5 Ca -0.55 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 65.40 1yeu h PRO 5 Cb 1.31 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1yeu h PRO 5 CO 0.51 0.74 -0.17 0.93 -0.21 0.00 0.00 178.00 179.80 1yeu h GLU 6 N 1.15 0.58 -0.16 1.05 4.39 -1.99 -1.29 114.58 118.31 1yeu h GLU 6 Ca 0.43 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.91 1yeu h GLU 6 Cb 0.18 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1yeu h GLU 6 CO -0.17 0.72 0.01 0.93 -1.16 0.00 0.00 179.01 179.34 1yeu h GLU 7 N 0.52 0.27 -0.61 2.33 5.08 -1.81 -1.18 114.58 119.18 1yeu h GLU 7 Ca 0.09 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1yeu h GLU 7 Cb 0.59 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1yeu h GLU 7 CO 0.04 0.48 0.38 -0.22 -1.00 0.00 0.00 179.01 178.69 1yeu h LYS 8 N 0.03 0.73 -0.36 2.33 3.64 -1.29 0.39 116.57 122.03 1yeu h LYS 8 Ca 0.05 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1yeu h LYS 8 Cb 0.36 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1yeu h LYS 8 CO 0.01 0.48 0.07 1.03 -2.27 0.00 0.00 179.45 178.77 1yeu h SER 9 N 0.75 0.57 -0.46 4.20 0.87 -1.18 0.88 113.55 119.17 1yeu h SER 9 Ca 0.24 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1yeu h SER 9 Cb 0.00 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 1yeu h SER 9 CO -0.09 0.67 0.26 0.00 -0.53 0.00 0.00 176.83 177.14 1yeu h ALA 10 N 0.91 0.59 0.46 6.23 0.00 -0.29 0.75 119.26 127.91 1yeu h ALA 10 Ca 0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1yeu h ALA 10 Cb 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1yeu h ALA 10 CO 0.01 0.10 -0.22 0.28 0.00 0.00 0.00 179.25 179.42 1yeu h VAL 11 N 0.61 0.55 -0.55 0.00 2.07 0.04 -2.80 116.25 116.17 1yeu h VAL 11 Ca 0.16 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 1yeu h VAL 11 Cb 0.03 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1yeu h VAL 11 CO -0.03 0.02 0.08 0.74 0.02 0.00 0.00 177.57 178.40 1yeu h THR 12 N -0.66 1.26 0.00 2.57 2.02 -0.63 -1.69 112.91 115.77 1yeu h THR 12 Ca -0.06 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.13 1yeu h THR 12 Cb 0.50 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1yeu h THR 12 CO 0.10 0.36 0.00 0.00 0.37 0.00 0.00 175.52 176.35 1yeu n ALA 13 N -2.43 0.00 -0.33 6.16 0.00 0.26 -2.24 120.51 121.93 1yeu n ALA 13 Ca 0.02 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.73 1yeu n ALA 13 Cb 0.28 0.13 0.51 0.00 0.00 0.00 0.00 19.45 20.37 1yeu n ALA 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1yeu h LEU 14 N 0.00 0.46 -1.31 0.00 5.85 -1.37 -2.23 115.31 116.70 1yeu h LEU 14 Ca 0.00 0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 1yeu h LEU 14 Cb 0.00 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1yeu h LEU 14 CO 0.00 -0.23 -0.07 -0.25 -0.34 0.00 0.00 178.44 177.55 1yeu h TRP 15 N 0.22 0.39 0.00 1.25 2.91 -0.84 -2.34 115.95 117.54 1yeu h TRP 15 Ca 0.77 -0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.74 1yeu h TRP 15 Cb 1.86 -0.11 -0.00 0.00 -0.51 0.00 0.00 29.16 30.40 1yeu h TRP 15 CO -0.01 0.45 -0.05 0.78 -1.03 0.00 0.00 178.44 178.59 1yeu h GLY 16 N 0.79 0.00 -0.64 2.65 0.00 -1.21 0.14 103.07 104.80 1yeu h GLY 16 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1yeu h GLY 16 CO 0.02 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.84 1yeu n LYS 17 N -3.35 1.68 -2.99 4.80 5.02 -0.88 -4.90 118.16 117.54 1yeu n LYS 17 Ca -0.02 -1.02 -0.41 0.00 -2.02 0.00 0.00 58.31 54.85 1yeu n LYS 17 Cb 0.19 -1.43 -0.05 0.00 -0.02 0.00 0.00 35.03 33.72 1yeu n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yeu s VAL 18 N -1.87 4.95 -0.77 -0.18 1.01 0.04 -5.00 120.40 118.57 1yeu s VAL 18 Ca 0.35 1.45 -0.26 0.00 0.00 0.00 0.00 61.98 63.51 1yeu s VAL 18 Cb 0.19 -4.06 0.04 0.00 0.00 0.00 0.00 36.38 32.55 1yeu s VAL 18 CO 0.29 0.08 1.28 0.21 0.00 0.00 0.00 175.10 176.96 1yeu s ASN 19 N 1.14 6.20 0.21 3.32 2.47 -1.26 -4.90 114.94 122.12 1yeu s ASN 19 Ca 0.35 -0.60 -0.06 0.00 0.42 0.00 0.00 52.86 52.96 1yeu s ASN 19 Cb -0.16 -2.55 0.16 0.00 -1.45 0.00 0.00 41.25 37.24 1yeu s ASN 19 CO 0.12 -1.78 1.65 -0.37 -3.72 0.00 0.00 177.10 173.00 1yeu h VAL 20 N 6.11 1.26 -0.83 -5.21 -1.51 -1.94 -1.48 116.25 112.65 1yeu h VAL 20 Ca -0.22 -1.22 0.18 0.00 -1.23 0.00 0.00 66.70 64.21 1yeu h VAL 20 Cb 1.05 0.99 -0.15 0.00 -2.13 0.00 0.00 31.29 31.05 1yeu h VAL 20 CO 1.29 0.42 -0.14 0.44 -1.23 0.00 0.00 177.57 178.35 1yeu h ASP 21 N 0.81 -0.66 0.51 4.19 5.19 -1.93 -0.58 116.42 123.96 1yeu h ASP 21 Ca 0.13 0.24 -0.29 0.00 -0.62 0.00 0.00 57.03 56.49 1yeu h ASP 21 Cb 0.63 0.48 -0.03 0.00 0.18 0.00 0.00 39.33 40.58 1yeu h ASP 21 CO 0.04 -0.26 -1.59 1.05 -3.12 0.00 0.00 179.24 175.36 1yeu h GLU 22 N 0.02 0.10 -0.10 3.56 4.11 -1.86 -3.22 114.58 117.19 1yeu h GLU 22 Ca 0.42 -0.17 -0.15 0.00 0.07 0.00 0.00 59.36 59.53 1yeu h GLU 22 Cb 0.69 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1yeu h GLU 22 CO -0.82 0.82 -0.60 0.28 0.07 0.00 0.00 179.01 178.76 1yeu h VAL 23 N 0.03 1.37 -0.20 -1.06 2.07 -0.79 -2.07 116.25 115.59 1yeu h VAL 23 Ca -0.25 -1.95 -0.13 0.00 0.82 0.00 0.00 66.70 65.19 1yeu h VAL 23 Cb 1.98 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 33.70 1yeu h VAL 23 CO 0.11 0.58 -0.43 1.23 0.02 0.00 0.00 177.57 179.08 1yeu h GLY 24 N 1.35 0.54 0.80 2.17 0.00 -1.24 -1.09 103.07 105.60 1yeu h GLY 24 Ca -0.01 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1yeu h GLY 24 CO 0.10 0.50 0.01 -1.33 0.00 0.00 0.00 176.54 175.82 1yeu h GLY 25 N 1.10 0.10 0.96 4.60 0.00 -1.53 -1.11 103.07 107.20 1yeu h GLY 25 Ca 0.03 -0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.32 1yeu h GLY 25 CO 0.08 0.06 0.57 0.83 0.00 0.00 0.00 176.54 178.08 1yeu h GLU 26 N -0.12 1.12 -0.03 4.80 4.39 -1.22 -1.79 114.58 121.73 1yeu h GLU 26 Ca 0.02 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1yeu h GLU 26 Cb 0.24 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1yeu h GLU 26 CO 0.00 0.74 -0.02 0.00 -1.16 0.00 0.00 179.01 178.57 1yeu h ALA 27 N 1.34 0.04 -0.22 3.43 0.00 -1.07 -0.79 119.26 121.98 1yeu h ALA 27 Ca 0.33 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1yeu h ALA 27 Cb -0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1yeu h ALA 27 CO -0.09 -0.20 -0.39 1.25 0.00 0.00 0.00 179.25 179.83 1yeu h LEU 28 N -0.40 0.52 -0.00 0.00 5.85 -1.22 -2.14 115.31 117.92 1yeu h LEU 28 Ca 0.00 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.53 1yeu h LEU 28 Cb 0.51 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1yeu h LEU 28 CO 0.01 0.86 -0.17 1.23 -0.34 0.00 0.00 178.44 180.03 1yeu h GLY 29 N 1.08 -0.22 1.61 3.75 0.00 -1.31 -2.34 103.07 105.64 1yeu h GLY 29 Ca 0.04 0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.49 1yeu h GLY 29 CO 0.07 -0.16 -0.18 3.21 0.00 0.00 0.00 176.54 179.48 1yeu h ARG 30 N -0.27 0.47 -0.28 4.80 3.08 -1.05 -1.37 114.38 119.75 1yeu h ARG 30 Ca 0.06 -0.15 0.04 0.00 0.07 0.00 0.00 59.98 59.99 1yeu h ARG 30 Cb 0.35 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 1yeu h ARG 30 CO -0.16 0.63 0.06 1.25 -1.07 0.00 0.00 179.97 180.68 1yeu h LEU 31 N 0.43 0.01 -1.14 3.04 5.85 -1.29 0.38 115.31 122.58 1yeu h LEU 31 Ca 0.07 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1yeu h LEU 31 Cb 0.56 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1yeu h LEU 31 CO 0.04 0.04 -0.20 -0.07 -0.34 0.00 0.00 178.44 177.91 1yeu h LEU 32 N 0.16 0.00 0.06 2.25 3.38 -0.72 -1.79 115.31 118.65 1yeu h LEU 32 Ca 0.13 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.88 1yeu h LEU 32 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1yeu h LEU 32 CO -0.17 0.20 -1.14 0.58 0.09 0.00 0.00 178.44 178.00 1yeu h VAL 33 N 0.00 1.11 -0.17 1.22 2.07 -0.88 -3.30 116.25 116.30 1yeu h VAL 33 Ca -0.00 -2.32 -0.12 0.00 0.82 0.00 0.00 66.70 65.08 1yeu h VAL 33 Cb 0.72 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 33.15 1yeu h VAL 33 CO 0.03 0.57 -0.40 0.58 0.02 0.00 0.00 177.57 178.36 1yeu h VAL 34 N -0.64 1.30 -2.16 2.57 2.07 -0.30 -3.34 116.25 115.76 1yeu h VAL 34 Ca -0.27 -1.53 -0.59 0.00 0.82 0.00 0.00 66.70 65.13 1yeu h VAL 34 Cb 1.49 1.61 -0.41 0.00 -1.52 0.00 0.00 31.29 32.46 1yeu h VAL 34 CO -0.04 0.47 -0.68 -1.22 0.02 0.00 0.00 177.57 176.12 1yeu n TYR 35 N -4.03 2.98 0.24 1.57 4.01 -0.67 -4.96 117.16 116.29 1yeu n TYR 35 Ca -0.01 -4.05 0.13 0.00 -0.16 0.00 0.00 57.90 53.80 1yeu n TYR 35 Cb 0.49 -0.52 0.51 0.00 -0.31 0.00 0.00 39.34 39.51 1yeu n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1yeu h PRO 36 N 4.10 0.00 -0.30 -0.72 0.11 -1.70 0.05 132.00 133.54 1yeu h PRO 36 Ca 0.18 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.29 1yeu h PRO 36 Cb 0.69 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 1yeu h PRO 36 CO 0.77 0.00 0.20 0.78 -0.21 0.00 0.00 178.00 179.54 1yeu h GLY 37 N 0.00 0.40 -1.00 -0.55 0.00 -1.91 -1.75 103.07 98.26 1yeu h GLY 37 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1yeu h GLY 37 CO -0.00 0.14 0.00 -1.30 0.00 0.00 0.00 176.54 175.38 1yeu n THR 38 N -4.49 0.14 0.59 4.70 -2.24 0.00 -2.68 114.28 110.30 1yeu n THR 38 Ca 0.02 -0.08 0.12 0.00 -2.27 0.00 0.00 64.05 61.84 1yeu n THR 38 Cb 0.09 -0.41 0.09 0.00 -2.10 0.00 0.00 70.33 68.00 1yeu n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yeu n GLN 39 N -0.03 0.28 0.19 -0.78 6.02 -0.66 -4.09 117.38 118.31 1yeu n GLN 39 Ca 0.02 0.03 0.14 0.00 -0.01 0.00 0.00 57.00 57.17 1yeu n GLN 39 Cb 0.26 -1.62 0.65 0.00 1.02 0.00 0.00 30.24 30.55 1yeu n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1yeu h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.72 -2.45 114.38 109.23 1yeu h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1yeu h ARG 40 Cb 0.72 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.80 1yeu h ARG 40 CO 0.00 0.00 -0.77 1.19 0.10 0.00 0.00 179.97 180.49 1yeu n PHE 41 N -2.45 0.06 -2.26 4.08 3.72 -1.26 -4.43 117.46 114.93 1yeu n PHE 41 Ca -0.00 0.02 -0.20 0.00 -0.05 0.00 0.00 57.45 57.22 1yeu n PHE 41 Cb 0.13 -0.22 0.02 0.00 -0.94 0.00 0.00 39.48 38.47 1yeu n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1yeu n PHE 42 N -1.61 2.53 0.28 1.38 3.72 -0.92 -4.84 117.46 117.99 1yeu n PHE 42 Ca 0.04 -2.36 0.17 0.00 -0.05 0.00 0.00 57.45 55.25 1yeu n PHE 42 Cb 0.36 -0.28 0.95 0.00 -0.94 0.00 0.00 39.48 39.56 1yeu n PHE 42 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1yeu h GLU 43 N 2.35 0.00 -0.00 -1.08 4.11 -1.77 0.30 114.58 118.49 1yeu h GLU 43 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.68 1yeu h GLU 43 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1yeu h GLU 43 CO 0.66 0.00 -0.00 -1.13 0.07 0.00 0.00 179.01 178.61 1yeu n SER 44 N -3.61 0.01 -0.09 3.06 3.41 -1.26 -3.53 113.62 111.60 1yeu n SER 44 Ca -0.01 -0.35 0.11 0.00 -0.26 0.00 0.00 58.87 58.36 1yeu n SER 44 Cb 0.18 -0.22 0.64 0.00 -0.26 0.00 0.00 64.21 64.54 1yeu n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1yeu n PHE 45 N -1.22 0.02 0.00 7.33 3.01 0.10 -4.99 117.46 121.72 1yeu n PHE 45 Ca 0.17 -0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.61 1yeu n PHE 45 Cb 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 1yeu n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yeu n GLY 46 N 0.91 0.97 3.63 1.37 0.00 -1.23 -4.84 105.19 106.00 1yeu n GLY 46 Ca 0.17 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 1yeu n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yeu s ASP 47 N -4.00 6.69 -0.21 1.61 2.15 -1.26 -4.92 116.67 116.73 1yeu s ASP 47 Ca 0.00 0.85 0.14 0.00 0.43 0.00 0.00 52.55 53.97 1yeu s ASP 47 Cb 0.00 -2.38 0.45 0.00 -0.30 0.00 0.00 42.92 40.69 1yeu s ASP 47 CO 0.00 -0.42 1.18 0.18 -0.17 0.00 0.00 175.17 175.94 1yeu n LEU 48 N 5.80 2.94 0.16 -1.34 4.77 -1.26 -4.44 117.00 123.63 1yeu n LEU 48 Ca 0.02 -3.70 0.09 0.00 -0.03 0.00 0.00 56.01 52.39 1yeu n LEU 48 Cb 0.48 -0.21 0.08 0.00 -2.33 0.00 0.00 43.42 41.45 1yeu n LEU 48 CO 0.45 1.41 0.47 0.77 -1.33 0.00 0.00 177.39 179.16 1yeu h SER 49 N 1.65 0.00 -3.83 -1.43 4.64 -1.91 -3.45 113.55 109.22 1yeu h SER 49 Ca 0.06 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.96 1yeu h SER 49 Cb 1.38 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.32 1yeu h SER 49 CO 0.29 0.15 -0.61 0.42 -0.87 0.00 0.00 176.83 176.21 1yeu s THR 50 N -3.17 0.89 0.17 2.95 -4.23 -1.26 -5.04 115.64 105.95 1yeu s THR 50 Ca 0.04 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.40 1yeu s THR 50 Cb 0.07 -2.72 0.08 0.00 1.34 0.00 0.00 72.50 71.27 1yeu s THR 50 CO 0.72 0.00 1.71 -0.65 -0.54 0.00 0.00 174.62 175.86 1yeu h PRO 51 N 2.23 0.15 -0.34 3.99 0.11 -1.99 -2.21 132.00 133.94 1yeu h PRO 51 Ca -0.39 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.60 1yeu h PRO 51 Cb 1.25 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1yeu h PRO 51 CO 0.65 0.10 -0.21 -0.44 -0.21 0.00 0.00 178.00 177.90 1yeu h ASP 52 N 0.16 0.77 -0.64 -2.05 3.32 -1.98 -0.11 116.42 115.89 1yeu h ASP 52 Ca 0.21 -0.42 0.13 0.00 0.02 0.00 0.00 57.03 56.97 1yeu h ASP 52 Cb 0.28 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1yeu h ASP 52 CO -0.31 1.03 0.43 0.00 -1.72 0.00 0.00 179.24 178.67 1yeu h ALA 53 N 0.77 2.20 0.00 3.45 0.00 -1.86 -1.99 119.26 121.83 1yeu h ALA 53 Ca 0.07 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1yeu h ALA 53 Cb 0.76 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1yeu h ALA 53 CO 0.06 -0.36 -0.44 0.28 0.00 0.00 0.00 179.25 178.79 1yeu h VAL 54 N 0.29 1.50 -0.01 0.00 2.07 -0.64 -3.20 116.25 116.26 1yeu h VAL 54 Ca 0.31 -2.30 -0.05 0.00 0.82 0.00 0.00 66.70 65.47 1yeu h VAL 54 Cb 0.80 3.01 -0.01 0.00 -1.52 0.00 0.00 31.29 33.57 1yeu h VAL 54 CO -0.07 0.52 -0.24 0.24 0.02 0.00 0.00 177.57 178.03 1yeu h MET 55 N -0.98 0.02 -0.30 1.57 2.07 -0.97 -2.82 114.93 113.52 1yeu h MET 55 Ca -0.12 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.51 1yeu h MET 55 Cb 1.12 -0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.85 1yeu h MET 55 CO -0.07 0.26 0.00 0.41 1.07 0.00 0.00 176.91 178.59 1yeu n GLY 56 N -0.82 1.36 3.69 8.32 0.00 -0.76 -4.84 105.19 112.14 1yeu n GLY 56 Ca -0.02 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 1yeu n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yeu s ASN 57 N -1.58 6.99 0.45 1.61 3.84 -1.07 -4.90 114.94 120.29 1yeu s ASN 57 Ca 0.36 1.93 0.14 0.00 0.21 0.00 0.00 52.86 55.51 1yeu s ASN 57 Cb 0.22 -2.56 1.02 0.00 -0.55 0.00 0.00 41.25 39.38 1yeu s ASN 57 CO 0.31 -0.62 2.01 -0.65 -2.79 0.00 0.00 177.10 175.35 1yeu h PRO 58 N 7.52 0.00 -0.05 0.43 0.11 -1.91 -1.93 132.00 136.17 1yeu h PRO 58 Ca -0.36 -0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.54 1yeu h PRO 58 Cb 1.17 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1yeu h PRO 58 CO 0.88 0.17 -0.84 0.87 -0.21 0.00 0.00 178.00 178.87 1yeu h LYS 59 N 0.00 0.47 -0.29 1.05 1.57 -1.90 -1.75 116.57 115.71 1yeu h LYS 59 Ca -0.00 -0.43 -0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1yeu h LYS 59 Cb 0.29 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1yeu h LYS 59 CO 0.02 1.08 0.18 0.28 -0.57 0.00 0.00 179.45 180.44 1yeu h VAL 60 N 0.30 1.10 -0.69 0.50 2.07 -1.82 -1.48 116.25 116.22 1yeu h VAL 60 Ca -0.06 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 1yeu h VAL 60 Cb 1.45 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1yeu h VAL 60 CO 0.15 0.09 0.14 0.11 0.02 0.00 0.00 177.57 178.08 1yeu h LYS 61 N 0.38 1.12 -0.38 1.57 1.57 -1.07 0.35 116.57 120.11 1yeu h LYS 61 Ca 0.11 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.56 1yeu h LYS 61 Cb -0.00 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1yeu h LYS 61 CO -0.02 1.01 0.07 0.00 -0.57 0.00 0.00 179.45 179.93 1yeu h ALA 62 N 1.07 0.50 -0.34 3.86 0.00 -1.29 -2.60 119.26 120.45 1yeu h ALA 62 Ca 0.21 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1yeu h ALA 62 Cb 0.41 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1yeu h ALA 62 CO 0.01 0.20 0.07 1.25 0.00 0.00 0.00 179.25 180.78 1yeu h HIS 63 N 0.47 0.59 -0.65 0.00 -0.00 -1.09 -2.16 115.15 112.31 1yeu h HIS 63 Ca 0.12 -0.08 0.11 0.00 -0.00 0.00 0.00 60.37 60.52 1yeu h HIS 63 Cb 0.35 -0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.56 1yeu h HIS 63 CO 0.02 0.61 0.44 0.78 -0.00 0.00 0.00 177.93 179.78 1yeu h GLY 64 N 0.40 0.65 1.07 5.26 0.00 -0.86 -0.57 103.07 109.02 1yeu h GLY 64 Ca 0.11 -0.18 -0.17 0.00 0.00 0.00 0.00 47.33 47.08 1yeu h GLY 64 CO 0.00 0.10 -0.49 1.70 0.00 0.00 0.00 176.54 177.85 1yeu h LYS 65 N 0.44 0.78 -0.29 4.80 3.64 -1.04 -2.00 116.57 122.90 1yeu h LYS 65 Ca 0.31 -0.50 0.06 0.00 -1.27 0.00 0.00 60.65 59.24 1yeu h LYS 65 Cb 0.60 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.43 1yeu h LYS 65 CO -0.09 1.13 -0.04 0.87 -2.27 0.00 0.00 179.45 179.05 1yeu h LYS 66 N 0.53 0.03 -0.22 1.90 1.57 -0.53 -1.92 116.57 117.93 1yeu h LYS 66 Ca 0.01 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1yeu h LYS 66 Cb 1.10 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 1yeu h LYS 66 CO 0.11 0.02 0.12 0.28 -0.57 0.00 0.00 179.45 179.41 1yeu h VAL 67 N 0.04 1.01 0.00 0.50 2.07 -1.11 -1.88 116.25 116.87 1yeu h VAL 67 Ca 0.14 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.53 1yeu h VAL 67 Cb 0.20 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1yeu h VAL 67 CO -0.27 0.05 -0.22 -0.07 0.02 0.00 0.00 177.57 177.07 1yeu h LEU 68 N 0.26 0.00 -0.53 2.57 -0.00 -1.30 -0.86 115.31 115.45 1yeu h LEU 68 Ca 0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.89 1yeu h LEU 68 Cb 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.65 1yeu h LEU 68 CO -0.05 0.22 0.02 1.23 -0.00 0.00 0.00 178.44 179.87 1yeu h GLY 69 N 0.88 0.99 1.00 0.83 0.00 -0.58 0.35 103.07 106.54 1yeu h GLY 69 Ca -0.00 -0.71 -0.08 0.00 0.00 0.00 0.00 47.33 46.53 1yeu h GLY 69 CO 0.03 0.66 -0.05 0.00 0.00 0.00 0.00 176.54 177.18 1yeu h ALA 70 N 0.96 0.62 -0.38 3.60 0.00 -1.00 -1.61 119.26 121.45 1yeu h ALA 70 Ca 0.15 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1yeu h ALA 70 Cb 0.50 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1yeu h ALA 70 CO 0.02 0.45 0.15 0.35 0.00 0.00 0.00 179.25 180.23 1yeu h PHE 71 N 0.67 0.27 -0.77 0.00 3.04 -0.85 -1.12 116.94 118.19 1yeu h PHE 71 Ca 0.12 0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.22 1yeu h PHE 71 Cb 0.57 -0.06 -0.09 0.00 2.56 0.00 0.00 35.95 38.92 1yeu h PHE 71 CO 0.04 0.12 0.34 0.77 -2.02 0.00 0.00 178.31 177.56 1yeu h SER 72 N 0.31 0.37 -0.84 0.41 0.02 0.09 -0.89 113.55 113.03 1yeu h SER 72 Ca 0.17 0.10 0.04 0.00 -0.84 0.00 0.00 61.79 61.26 1yeu h SER 72 Cb 0.13 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 1yeu h SER 72 CO -0.16 0.16 0.55 0.44 -1.14 0.00 0.00 176.83 176.68 1yeu h ASP 73 N 0.51 0.88 -0.71 3.07 3.32 -0.25 -2.28 116.42 120.97 1yeu h ASP 73 Ca 0.41 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.39 1yeu h ASP 73 Cb 0.58 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 1yeu h ASP 73 CO -0.37 0.59 0.20 1.23 -1.72 0.00 0.00 179.24 179.18 1yeu h GLY 74 N 1.01 1.21 2.00 2.75 0.00 -0.43 -2.24 103.07 107.37 1yeu h GLY 74 Ca 0.34 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1yeu h GLY 74 CO -0.11 0.68 0.00 1.41 0.00 0.00 0.00 176.54 178.52 1yeu h LEU 75 N 1.07 0.00 -0.87 3.11 3.38 -0.99 -1.30 115.31 119.71 1yeu h LEU 75 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1yeu h LEU 75 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1yeu h LEU 75 CO -0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1yeu n ALA 76 N -1.98 2.58 -2.75 1.53 0.00 -0.85 -4.17 120.51 114.87 1yeu n ALA 76 Ca -0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 53.44 52.92 1yeu n ALA 76 Cb 0.21 -1.19 0.05 0.00 0.00 0.00 0.00 19.45 18.52 1yeu n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yeu n HIS 77 N 0.06 -0.23 0.29 0.00 8.25 -0.51 -4.96 115.22 118.11 1yeu n HIS 77 Ca 0.19 -2.67 0.14 0.00 -0.26 0.00 0.00 57.72 55.12 1yeu n HIS 77 Cb 0.32 0.28 0.86 0.00 1.12 0.00 0.00 29.99 32.57 1yeu n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1yeu h LEU 78 N 2.74 0.00 -0.70 2.41 3.38 -1.66 -0.92 115.31 120.55 1yeu h LEU 78 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1yeu h LEU 78 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1yeu h LEU 78 CO 0.32 0.01 -0.08 0.47 0.09 0.00 0.00 178.44 179.25 1yeu n ASP 79 N -3.97 1.17 -2.76 -0.43 8.00 -1.26 -4.15 116.55 113.15 1yeu n ASP 79 Ca -0.03 -1.21 -0.11 0.00 0.71 0.00 0.00 54.79 54.15 1yeu n ASP 79 Cb 0.09 0.03 0.02 0.00 -0.02 0.00 0.00 41.12 41.25 1yeu n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1yeu n ASN 80 N -0.24 1.07 -0.02 -2.24 5.15 -0.36 -4.96 115.26 113.66 1yeu n ASN 80 Ca 0.17 -2.77 0.02 0.00 -0.60 0.00 0.00 54.58 51.40 1yeu n ASN 80 Cb 0.33 -0.42 0.34 0.00 -0.53 0.00 0.00 39.78 39.50 1yeu n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1yeu h LEU 81 N 2.94 0.52 -0.58 1.20 3.38 -1.70 -2.64 115.31 118.43 1yeu h LEU 81 Ca -0.07 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 1yeu h LEU 81 Cb 1.15 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1yeu h LEU 81 CO 0.46 0.48 -0.08 0.11 0.09 0.00 0.00 178.44 179.50 1yeu h LYS 82 N 0.58 1.05 -0.22 1.13 1.57 -1.91 -2.17 116.57 116.60 1yeu h LYS 82 Ca 0.14 -0.37 -0.06 0.00 -1.87 0.00 0.00 60.65 58.50 1yeu h LYS 82 Cb 0.12 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1yeu h LYS 82 CO -0.01 1.07 -0.09 0.78 -0.57 0.00 0.00 179.45 180.62 1yeu h GLY 83 N 0.95 0.48 0.99 3.86 0.00 -1.91 -2.50 103.07 104.94 1yeu h GLY 83 Ca 0.15 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 47.09 1yeu h GLY 83 CO 0.04 0.38 0.64 -0.84 0.00 0.00 0.00 176.54 176.76 1yeu h THR 84 N 0.15 1.21 -0.64 4.70 2.02 -1.49 -2.91 112.91 115.95 1yeu h THR 84 Ca 0.05 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1yeu h THR 84 Cb 0.57 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1yeu h THR 84 CO 0.03 0.23 0.00 0.49 0.37 0.00 0.00 175.52 176.64 1yeu n PHE 85 N -4.41 0.85 -0.18 3.16 3.72 -0.82 -4.63 117.46 115.15 1yeu n PHE 85 Ca 0.12 -0.45 -0.09 0.00 -0.05 0.00 0.00 57.45 56.99 1yeu n PHE 85 Cb 0.05 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.60 1yeu n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1yeu h ALA 86 N 4.17 0.67 -0.07 4.37 0.00 -1.23 0.20 119.26 127.38 1yeu h ALA 86 Ca 0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1yeu h ALA 86 Cb 0.97 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1yeu h ALA 86 CO 0.00 0.35 -0.47 1.79 0.00 0.00 0.00 179.25 180.91 1yeu h THR 87 N 0.71 1.34 -0.25 0.00 1.35 -1.82 -2.47 112.91 111.76 1yeu h THR 87 Ca 0.16 -1.66 -0.18 0.00 -0.55 0.00 0.00 66.41 64.19 1yeu h THR 87 Cb 0.30 1.81 -0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1yeu h THR 87 CO -0.00 0.49 -0.54 -0.07 -0.25 0.00 0.00 175.52 175.14 1yeu h LEU 88 N 0.14 0.83 -0.14 3.87 4.07 -1.80 -2.73 115.31 119.55 1yeu h LEU 88 Ca 0.01 -0.44 0.04 0.00 0.08 0.00 0.00 57.88 57.57 1yeu h LEU 88 Cb 0.89 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 42.34 1yeu h LEU 88 CO 0.07 1.21 -0.17 -1.28 -1.08 0.00 0.00 178.44 177.19 1yeu h SER 89 N 0.58 -0.54 0.14 -0.43 0.87 -0.83 -0.92 113.55 112.42 1yeu h SER 89 Ca 0.01 0.10 -0.10 0.00 -1.23 0.00 0.00 61.79 60.57 1yeu h SER 89 Cb 1.12 0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 63.33 1yeu h SER 89 CO 0.11 -0.22 -0.35 1.05 -0.53 0.00 0.00 176.83 176.89 1yeu h GLU 90 N -0.21 0.30 0.28 2.24 4.11 -1.41 -1.82 114.58 118.08 1yeu h GLU 90 Ca 0.10 -0.13 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 1yeu h GLU 90 Cb 0.36 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1yeu h GLU 90 CO -0.27 0.62 -0.14 1.25 0.07 0.00 0.00 179.01 180.55 1yeu h LEU 91 N 0.26 -0.32 -1.49 3.06 5.85 -1.29 0.64 115.31 122.02 1yeu h LEU 91 Ca 0.03 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1yeu h LEU 91 Cb 0.75 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1yeu h LEU 91 CO 0.06 -0.10 0.28 0.45 -0.34 0.00 0.00 178.44 178.80 1yeu h HIS 92 N -0.54 0.60 0.25 1.25 3.86 -0.88 -1.04 115.15 118.65 1yeu h HIS 92 Ca -0.04 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1yeu h HIS 92 Cb 0.40 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1yeu h HIS 92 CO -0.01 0.40 -0.12 0.00 0.86 0.00 0.00 177.93 179.06 1yeu h ASP 94 N -0.87 0.56 0.06 0.00 3.32 0.38 -2.59 116.42 117.28 1yeu h ASP 94 Ca -0.03 -0.54 -0.37 0.00 0.02 0.00 0.00 57.03 56.11 1yeu h ASP 94 Cb 0.26 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 1yeu h ASP 94 CO 0.06 0.99 -2.18 0.29 -1.72 0.00 0.00 179.24 176.68 1yeu n LYS 95 N -4.37 0.70 0.02 3.56 4.76 -0.50 -4.56 118.16 117.77 1yeu n LYS 95 Ca -0.06 0.23 0.11 0.00 -2.87 0.00 0.00 58.31 55.72 1yeu n LYS 95 Cb 0.47 -1.63 -0.04 0.00 -1.84 0.00 0.00 35.03 32.00 1yeu n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1yeu n LEU 96 N -3.48 0.57 -3.80 -0.35 4.77 -0.61 -4.99 117.00 109.13 1yeu n LEU 96 Ca -0.39 -0.09 -0.23 0.00 -0.03 0.00 0.00 56.01 55.28 1yeu n LEU 96 Cb 1.00 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 42.04 1yeu n LEU 96 CO 0.33 0.06 -0.13 1.41 -1.33 0.00 0.00 177.39 177.73 1yeu n HIS 97 N -1.96 -1.81 -3.42 -1.77 8.25 -0.47 -4.95 115.22 109.10 1yeu n HIS 97 Ca 0.01 0.80 -0.38 0.00 -0.26 0.00 0.00 57.72 57.89 1yeu n HIS 97 Cb 0.45 -4.13 -0.08 0.00 1.12 0.00 0.00 29.99 27.34 1yeu n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1yeu s VAL 98 N -3.78 5.21 0.04 1.59 1.01 -0.38 -5.02 120.40 119.06 1yeu s VAL 98 Ca 0.01 0.59 -0.30 0.00 0.00 0.00 0.00 61.98 62.28 1yeu s VAL 98 Cb -0.00 -3.69 -0.09 0.00 0.00 0.00 0.00 36.38 32.60 1yeu s VAL 98 CO 0.84 0.22 1.91 -0.62 0.00 0.00 0.00 175.10 177.45 1yeu s ASP 99 N 1.30 6.47 0.50 3.32 -1.08 -1.26 -4.72 116.67 121.20 1yeu s ASP 99 Ca 0.16 2.63 0.31 0.00 -0.52 0.00 0.00 52.55 55.13 1yeu s ASP 99 Cb -0.15 -2.54 1.69 0.00 -1.46 0.00 0.00 42.92 40.47 1yeu s ASP 99 CO 0.08 -1.03 1.94 -0.65 0.52 0.00 0.00 175.17 176.04 1yeu h PRO 100 N 10.20 0.00 -0.58 4.34 0.11 -1.97 -0.94 132.00 143.15 1yeu h PRO 100 Ca -0.48 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.75 1yeu h PRO 100 Cb 1.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1yeu h PRO 100 CO 0.94 0.00 0.40 1.49 -0.21 0.00 0.00 178.00 180.62 1yeu h GLU 101 N 0.00 0.27 0.00 1.05 4.57 -1.99 0.33 114.58 118.80 1yeu h GLU 101 Ca 0.00 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1yeu h GLU 101 Cb 0.13 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1yeu h GLU 101 CO 0.00 0.18 -0.10 -0.91 -1.18 0.00 0.00 179.01 177.00 1yeu h ASN 102 N 0.28 0.00 -0.47 1.04 4.21 -1.54 -2.44 115.58 116.65 1yeu h ASN 102 Ca 0.28 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.77 1yeu h ASN 102 Cb 0.71 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.88 1yeu h ASN 102 CO -0.06 0.10 0.25 -0.26 -1.29 0.00 0.00 177.43 176.17 1yeu h PHE 103 N 0.00 0.69 -0.13 1.19 0.04 -1.11 -2.13 116.94 115.49 1yeu h PHE 103 Ca -0.00 -0.01 -0.16 0.00 2.80 0.00 0.00 57.97 60.59 1yeu h PHE 103 Cb 0.24 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 1yeu h PHE 103 CO 0.00 0.51 -0.61 0.00 -0.60 0.00 0.00 178.31 177.61 1yeu h ARG 104 N 0.71 0.43 -0.31 1.51 3.08 -1.53 -1.72 114.38 116.55 1yeu h ARG 104 Ca 0.18 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1yeu h ARG 104 Cb 0.07 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1yeu h ARG 104 CO -0.03 0.91 0.16 -0.07 -1.07 0.00 0.00 179.97 179.88 1yeu h LEU 105 N 0.32 0.40 -0.82 3.04 3.38 -1.39 -0.78 115.31 119.45 1yeu h LEU 105 Ca -0.01 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1yeu h LEU 105 Cb 1.15 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1yeu h LEU 105 CO 0.11 0.38 0.22 0.25 0.09 0.00 0.00 178.44 179.49 1yeu h LEU 106 N 0.38 1.03 -0.73 1.67 5.85 -1.32 -1.52 115.31 120.67 1yeu h LEU 106 Ca 0.11 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.68 1yeu h LEU 106 Cb 0.08 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 1yeu h LEU 106 CO -0.02 0.96 0.45 1.23 -0.34 0.00 0.00 178.44 180.72 1yeu h GLY 107 N 1.10 1.06 1.73 3.75 0.00 -0.93 -1.67 103.07 108.11 1yeu h GLY 107 Ca 0.23 -0.34 -0.16 0.00 0.00 0.00 0.00 47.33 47.07 1yeu h GLY 107 CO -0.01 0.27 -0.64 3.43 0.00 0.00 0.00 176.54 179.59 1yeu h ASN 108 N 0.87 0.32 -0.02 0.19 2.35 -0.50 -2.61 115.58 116.17 1yeu h ASN 108 Ca 0.30 -0.19 -0.13 0.00 -0.55 0.00 0.00 56.30 55.73 1yeu h ASN 108 Cb 0.06 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1yeu h ASN 108 CO -0.13 0.87 -0.40 0.58 -1.65 0.00 0.00 177.43 176.71 1yeu h VAL 109 N 0.20 1.30 -0.90 2.81 2.07 -1.04 -2.77 116.25 117.92 1yeu h VAL 109 Ca -0.01 -1.56 0.01 0.00 0.82 0.00 0.00 66.70 65.96 1yeu h VAL 109 Cb 1.17 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 1yeu h VAL 109 CO 0.10 0.49 0.59 0.25 0.02 0.00 0.00 177.57 179.02 1yeu h LEU 110 N 0.44 1.04 -0.55 2.57 5.85 -1.17 -0.62 115.31 122.88 1yeu h LEU 110 Ca 0.04 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1yeu h LEU 110 Cb 0.89 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1yeu h LEU 110 CO 0.08 0.76 0.33 0.58 -0.34 0.00 0.00 178.44 179.84 1yeu h VAL 111 N 1.22 1.17 -0.70 1.05 2.07 -1.20 -0.87 116.25 119.00 1yeu h VAL 111 Ca 0.33 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1yeu h VAL 111 Cb -0.13 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 1yeu h VAL 111 CO -0.07 0.17 0.27 0.00 0.02 0.00 0.00 177.57 177.97 1yeu h VAL 113 N 1.01 1.27 -0.60 0.00 2.07 -0.92 0.99 116.25 120.08 1yeu h VAL 113 Ca 0.23 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1yeu h VAL 113 Cb 0.20 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1yeu h VAL 113 CO -0.02 0.45 0.38 -0.07 0.02 0.00 0.00 177.57 178.33 1yeu h LEU 114 N 0.73 0.70 -1.02 2.57 3.38 -0.72 -1.11 115.31 119.85 1yeu h LEU 114 Ca 0.10 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1yeu h LEU 114 Cb 0.75 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1yeu h LEU 114 CO 0.06 0.54 0.39 0.00 0.09 0.00 0.00 178.44 179.52 1yeu h ALA 115 N 1.20 1.24 -0.21 1.53 0.00 -0.76 -0.62 119.26 121.64 1yeu h ALA 115 Ca 0.22 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1yeu h ALA 115 Cb -0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1yeu h ALA 115 CO -0.04 0.60 0.12 1.25 0.00 0.00 0.00 179.25 181.17 1yeu h HIS 116 N 1.08 0.23 -0.06 0.00 -0.00 -0.28 -1.89 115.15 114.23 1yeu h HIS 116 Ca 0.27 0.01 -0.17 0.00 -0.00 0.00 0.00 60.37 60.48 1yeu h HIS 116 Cb 0.07 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 1yeu h HIS 116 CO 0.01 0.14 -0.69 0.45 -0.00 0.00 0.00 177.93 177.84 1yeu h HIS 117 N 0.25 0.38 -0.01 5.26 -0.00 -0.70 -3.35 115.15 116.98 1yeu h HIS 117 Ca 0.08 -0.16 0.00 0.00 -0.00 0.00 0.00 60.37 60.29 1yeu h HIS 117 Cb -0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.35 1yeu h HIS 117 CO -0.08 0.88 -0.30 1.19 -0.00 0.00 0.00 177.93 179.63 1yeu n PHE 118 N -3.82 0.00 -0.64 2.45 3.72 -0.29 -5.04 117.46 113.84 1yeu n PHE 118 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1yeu n PHE 118 Cb 0.68 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.22 1yeu n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1yeu n GLY 119 N 1.10 2.56 0.11 1.37 0.00 -0.72 -0.96 105.19 108.66 1yeu n GLY 119 Ca 0.07 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.02 1yeu n GLY 119 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1yeu n LYS 120 N 14.00 0.08 0.10 1.61 0.00 -1.26 -1.12 118.16 131.57 1yeu n LYS 120 Ca 0.00 0.54 -0.02 0.00 -0.00 0.00 0.00 58.31 58.84 1yeu n LYS 120 Cb 0.00 -1.89 0.23 0.00 -0.00 0.00 0.00 35.03 33.37 1yeu n LYS 120 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1yeu h GLU 121 N 0.00 0.21 -3.89 -1.58 4.81 -1.45 -3.34 114.58 109.33 1yeu h GLU 121 Ca 0.00 -0.10 -0.71 0.00 -0.13 0.00 0.00 59.36 58.42 1yeu h GLU 121 Cb 0.26 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1yeu h GLU 121 CO 0.00 0.60 3.13 0.34 -0.73 0.00 0.00 179.01 182.35 1yeu n PHE 122 N -4.02 3.42 -1.37 0.92 7.35 -0.28 -4.90 117.46 118.58 1yeu n PHE 122 Ca -0.02 -2.98 -0.29 0.00 -0.76 0.00 0.00 57.45 53.40 1yeu n PHE 122 Cb 0.48 -2.52 0.13 0.00 0.35 0.00 0.00 39.48 37.92 1yeu n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yeu s THR 123 N 2.96 2.47 0.17 -2.13 -4.23 -1.26 -4.68 115.64 108.94 1yeu s THR 123 Ca 0.48 0.15 -0.16 0.00 -1.18 0.00 0.00 61.69 60.99 1yeu s THR 123 Cb 0.14 -2.78 0.08 0.00 1.34 0.00 0.00 72.50 71.28 1yeu s THR 123 CO -0.08 -0.20 1.69 -0.65 -0.54 0.00 0.00 174.62 174.84 1yeu h PRO 124 N -1.49 0.07 -0.25 3.99 0.11 -1.94 0.18 132.00 132.67 1yeu h PRO 124 Ca -0.50 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1yeu h PRO 124 Cb 1.30 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1yeu h PRO 124 CO 0.58 0.05 0.10 -1.35 -0.21 0.00 0.00 178.00 177.17 1yeu h PRO 125 N 0.08 0.35 -0.01 1.05 0.11 -1.98 0.17 132.00 131.77 1yeu h PRO 125 Ca 0.19 -0.04 -0.26 0.00 0.11 0.00 0.00 66.00 66.00 1yeu h PRO 125 Cb 0.28 -0.07 0.02 0.00 0.11 0.00 0.00 31.00 31.34 1yeu h PRO 125 CO -0.35 0.30 -1.03 0.28 -0.21 0.00 0.00 178.00 176.99 1yeu h VAL 126 N 0.35 1.28 -0.44 3.15 2.07 -1.50 -2.86 116.25 118.31 1yeu h VAL 126 Ca 0.09 -2.23 -0.01 0.00 0.82 0.00 0.00 66.70 65.37 1yeu h VAL 126 Cb 0.08 2.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1yeu h VAL 126 CO -0.01 0.69 0.25 -0.61 0.02 0.00 0.00 177.57 177.92 1yeu h GLN 127 N 0.40 0.60 -0.90 1.57 4.15 -0.07 -1.93 115.11 118.94 1yeu h GLN 127 Ca -0.12 -0.06 0.15 0.00 0.77 0.00 0.00 58.65 59.38 1yeu h GLN 127 Cb 1.68 -0.12 -0.07 0.00 0.21 0.00 0.00 27.48 29.18 1yeu h GLN 127 CO 0.20 0.46 0.58 0.00 -1.93 0.00 0.00 178.83 178.14 1yeu h ALA 128 N 1.11 1.84 -0.12 3.38 0.00 -0.96 0.06 119.26 124.56 1yeu h ALA 128 Ca 0.16 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1yeu h ALA 128 Cb 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1yeu h ALA 128 CO -0.03 -0.09 -0.15 0.00 0.00 0.00 0.00 179.25 178.98 1yeu h ALA 129 N 1.60 0.17 0.00 0.00 0.00 -1.20 -2.98 119.26 116.85 1yeu h ALA 129 Ca 0.45 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1yeu h ALA 129 Cb 0.74 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1yeu h ALA 129 CO -0.21 0.07 -0.07 1.88 0.00 0.00 0.00 179.25 180.92 1yeu h TYR 130 N -0.10 0.00 -0.27 0.00 0.05 -0.72 -2.52 116.97 113.41 1yeu h TYR 130 Ca 0.01 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.61 1yeu h TYR 130 Cb 0.70 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.44 1yeu h TYR 130 CO 0.09 0.07 -0.56 1.96 -1.05 0.00 0.00 178.16 178.68 1yeu h GLN 131 N 0.00 0.84 -0.29 4.88 1.08 -0.94 0.15 115.11 120.83 1yeu h GLN 131 Ca -0.00 -0.54 -0.01 0.00 -1.45 0.00 0.00 58.65 56.65 1yeu h GLN 131 Cb 0.20 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1yeu h GLN 131 CO 0.01 1.17 0.16 0.87 -0.95 0.00 0.00 178.83 180.09 1yeu h LYS 132 N 0.64 0.41 -0.16 1.46 1.57 -1.32 -1.55 116.57 117.62 1yeu h LYS 132 Ca 0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1yeu h LYS 132 Cb 1.16 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1yeu h LYS 132 CO 0.12 0.35 0.10 0.28 -0.57 0.00 0.00 179.45 179.73 1yeu h VAL 133 N 0.35 1.03 -0.03 0.50 2.07 -1.33 -0.86 116.25 117.98 1yeu h VAL 133 Ca 0.10 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.48 1yeu h VAL 133 Cb 0.07 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1yeu h VAL 133 CO -0.02 0.04 -0.34 -0.37 0.02 0.00 0.00 177.57 176.90 1yeu h VAL 134 N 0.20 1.25 -0.35 2.57 -1.51 -0.90 -0.33 116.25 117.18 1yeu h VAL 134 Ca 0.06 -1.21 -0.14 0.00 -1.23 0.00 0.00 66.70 64.18 1yeu h VAL 134 Cb -0.02 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 30.75 1yeu h VAL 134 CO -0.02 0.35 -0.33 0.00 -1.23 0.00 0.00 177.57 176.34 1yeu h ALA 135 N 1.61 0.76 -0.34 5.19 0.00 -0.88 -1.85 119.26 123.74 1yeu h ALA 135 Ca 0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 1yeu h ALA 135 Cb 0.63 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1yeu h ALA 135 CO 0.05 0.66 -0.15 0.78 0.00 0.00 0.00 179.25 180.58 1yeu h GLY 136 N 0.93 0.76 0.99 0.00 0.00 -0.63 -0.25 103.07 104.88 1yeu h GLY 136 Ca 0.07 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 1yeu h GLY 136 CO 0.08 0.61 0.32 -2.08 0.00 0.00 0.00 176.54 175.47 1yeu h VAL 137 N 0.48 1.17 -0.59 4.60 2.07 -1.06 0.22 116.25 123.14 1yeu h VAL 137 Ca 0.08 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 1yeu h VAL 137 Cb 0.68 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1yeu h VAL 137 CO 0.05 0.18 0.07 0.00 0.02 0.00 0.00 177.57 177.89 1yeu h ALA 138 N 1.15 1.01 -0.44 1.67 0.00 -1.09 -0.31 119.26 121.25 1yeu h ALA 138 Ca 0.20 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1yeu h ALA 138 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1yeu h ALA 138 CO -0.03 0.62 -0.13 -0.91 0.00 0.00 0.00 179.25 178.80 1yeu h ASN 139 N 0.91 0.80 -0.35 0.00 2.35 -0.73 -1.49 115.58 117.07 1yeu h ASN 139 Ca 0.18 -0.25 -0.10 0.00 -0.55 0.00 0.00 56.30 55.58 1yeu h ASN 139 Cb 0.43 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1yeu h ASN 139 CO 0.01 0.94 -0.15 0.00 -1.65 0.00 0.00 177.43 176.58 1yeu h ALA 140 N 1.13 0.92 0.00 -0.83 0.00 -0.60 -1.23 119.26 118.66 1yeu h ALA 140 Ca 0.12 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1yeu h ALA 140 Cb 0.62 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1yeu h ALA 140 CO 0.04 0.62 -0.14 -0.07 0.00 0.00 0.00 179.25 179.70 1yeu h LEU 141 N 0.72 0.00 0.00 0.00 3.38 -0.86 -2.93 115.31 115.62 1yeu h LEU 141 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1yeu h LEU 141 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1yeu h LEU 141 CO 0.05 0.14 -0.52 0.00 0.09 0.00 0.00 178.44 178.19 1yeu h ALA 142 N 1.86 0.74 -0.51 1.53 0.00 -0.45 -3.40 119.26 119.04 1yeu h ALA 142 Ca -0.00 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1yeu h ALA 142 Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1yeu h ALA 142 CO 0.02 0.03 0.34 1.25 0.00 0.00 0.00 179.25 180.90 1yeu h HIS 143 N 0.00 0.45 -0.60 0.00 6.17 -1.06 -2.28 115.15 117.83 1yeu h HIS 143 Ca -0.00 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.09 1yeu h HIS 143 Cb 1.02 -0.15 0.00 0.00 2.52 0.00 0.00 27.41 30.80 1yeu h HIS 143 CO 0.00 0.24 0.00 1.63 0.71 0.00 0.00 177.93 180.51 1yeu n LYS 144 N -4.47 2.71 -2.28 5.26 4.76 -1.26 -4.94 118.16 117.94 1yeu n LYS 144 Ca 0.07 -2.28 -0.39 0.00 -2.87 0.00 0.00 58.31 52.83 1yeu n LYS 144 Cb 0.25 -1.58 -0.02 0.00 -1.84 0.00 0.00 35.03 31.83 1yeu n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1yeu s TYR 145 N -1.38 3.15 0.00 2.13 1.51 -0.86 -4.77 117.35 117.14 1yeu s TYR 145 Ca 0.42 1.55 0.00 0.00 -1.01 0.00 0.00 57.07 58.03 1yeu s TYR 145 Cb 0.24 -3.44 0.00 0.00 -0.11 0.00 0.00 41.96 38.64 1yeu s TYR 145 CO 0.26 -1.31 0.00 -2.39 -1.11 0.00 0.00 175.55 171.00