#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p6s n LEU 6 N 0.00 -0.01 -4.78 1.09 7.94 -1.26 -5.08 117.00 114.91 2p6s n LEU 6 Ca 0.00 -4.65 -0.30 0.00 -1.11 0.00 0.00 56.01 49.95 2p6s n LEU 6 Cb 0.00 0.74 0.09 0.00 0.53 0.00 0.00 43.42 44.78 2p6s n LEU 6 CO 0.00 2.19 0.70 1.51 -1.11 0.00 0.00 177.39 180.68 2p6s s ASP 7 N -1.91 4.48 0.12 1.96 1.47 -1.26 -4.70 116.67 116.83 2p6s s ASP 7 Ca 0.36 1.54 -0.11 0.00 1.18 0.00 0.00 52.55 55.51 2p6s s ASP 7 Cb 0.29 -2.28 0.11 0.00 -0.34 0.00 0.00 42.92 40.69 2p6s s ASP 7 CO -0.09 -2.01 0.86 0.29 0.68 0.00 0.00 175.17 174.90 2p6s n LYS 8 N -3.48 -0.15 -0.03 2.11 4.76 -1.26 -0.28 118.16 119.83 2p6s n LYS 8 Ca 0.08 0.85 -0.02 0.00 -2.87 0.00 0.00 58.31 56.35 2p6s n LYS 8 Cb 0.55 -1.27 0.23 0.00 -1.84 0.00 0.00 35.03 32.70 2p6s n LYS 8 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2p6s h THR 9 N 0.00 1.23 -0.04 -0.18 2.02 -1.94 0.20 112.91 114.20 2p6s h THR 9 Ca 0.18 -0.97 -0.02 0.00 0.77 0.00 0.00 66.41 66.37 2p6s h THR 9 Cb 0.32 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2p6s h THR 9 CO -0.55 0.33 -0.07 0.44 0.37 0.00 0.00 175.52 176.04 2p6s h ASP 10 N 0.56 0.05 0.48 4.18 3.32 -0.96 -0.90 116.42 123.14 2p6s h ASP 10 Ca 0.11 -0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.87 2p6s h ASP 10 Cb 0.45 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.00 2p6s h ASP 10 CO 0.02 0.13 -1.27 0.40 -1.72 0.00 0.00 179.24 176.80 2p6s h ILE 11 N 0.05 1.42 -0.76 0.35 2.04 -0.91 -2.70 117.51 117.01 2p6s h ILE 11 Ca 0.01 -2.87 -0.02 0.00 1.00 0.00 0.00 64.86 62.99 2p6s h ILE 11 Cb 0.16 2.89 -0.04 0.00 -0.74 0.00 0.00 36.82 39.10 2p6s h ILE 11 CO 0.01 0.85 0.40 0.50 0.00 0.00 0.00 178.15 179.90 2p6s h LYS 12 N 0.12 1.07 0.80 2.37 3.11 -0.60 0.01 116.57 123.46 2p6s h LYS 12 Ca -0.16 -0.13 -0.04 0.00 -2.81 0.00 0.00 60.65 57.51 2p6s h LYS 12 Cb 1.97 -0.21 -0.00 0.00 -1.00 0.00 0.00 32.23 33.00 2p6s h LYS 12 CO 0.22 0.80 -0.47 0.82 -2.81 0.00 0.00 179.45 178.01 2p6s h ILE 13 N 1.07 0.00 -0.47 2.00 2.04 -1.23 -2.59 117.51 118.33 2p6s h ILE 13 Ca 0.27 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.22 2p6s h ILE 13 Cb 0.06 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.06 2p6s h ILE 13 CO -0.04 0.00 -0.02 -0.07 0.00 0.00 0.00 178.15 178.02 2p6s h LEU 14 N -1.18 -0.25 -0.58 1.44 3.38 -1.16 -1.08 115.31 115.88 2p6s h LEU 14 Ca -0.11 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.08 2p6s h LEU 14 Cb 0.93 0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.83 2p6s h LEU 14 CO 0.13 -0.09 0.18 1.56 0.09 0.00 0.00 178.44 180.31 2p6s h GLN 15 N 0.09 0.34 -0.15 1.13 4.20 -1.04 -1.63 115.11 118.04 2p6s h GLN 15 Ca 0.24 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.87 2p6s h GLN 15 Cb 0.35 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 2p6s h GLN 15 CO -0.41 0.22 -0.13 0.28 -0.67 0.00 0.00 178.83 178.12 2p6s h VAL 16 N 0.35 1.34 -0.16 -0.54 2.07 -0.82 -3.23 116.25 115.26 2p6s h VAL 16 Ca 0.30 -1.26 -0.08 0.00 0.82 0.00 0.00 66.70 66.48 2p6s h VAL 16 Cb 0.39 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 2p6s h VAL 16 CO -0.33 0.37 -0.27 -0.07 0.02 0.00 0.00 177.57 177.29 2p6s h LEU 17 N -0.00 0.29 -1.05 2.57 3.38 -1.12 0.04 115.31 119.42 2p6s h LEU 17 Ca 0.03 -0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.02 2p6s h LEU 17 Cb 0.64 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.23 2p6s h LEU 17 CO 0.03 0.56 0.63 1.56 0.09 0.00 0.00 178.44 181.31 2p6s h GLN 18 N 0.26 0.94 0.14 1.13 4.20 -1.32 -0.57 115.11 119.90 2p6s h GLN 18 Ca 0.04 -0.06 -0.25 0.00 0.06 0.00 0.00 58.65 58.45 2p6s h GLN 18 Cb 0.62 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 28.20 2p6s h GLN 18 CO 0.04 0.62 -1.17 0.93 -0.67 0.00 0.00 178.83 178.59 2p6s h GLU 19 N 0.97 0.31 -2.33 1.46 4.39 -1.46 -3.41 114.58 114.51 2p6s h GLU 19 Ca 0.48 -0.52 -0.60 0.00 0.34 0.00 0.00 59.36 59.06 2p6s h GLU 19 Cb 0.49 0.19 -0.42 0.00 -0.10 0.00 0.00 28.75 28.92 2p6s h GLU 19 CO -0.25 1.25 -0.60 0.09 -1.16 0.00 0.00 179.01 178.34 2p6s n ASN 20 N -3.98 3.56 0.13 1.42 3.02 -0.05 -4.93 115.26 114.44 2p6s n ASN 20 Ca -0.19 -3.39 0.18 0.00 -0.03 0.00 0.00 54.58 51.14 2p6s n ASN 20 Cb 0.89 -0.68 0.76 0.00 -0.61 0.00 0.00 39.78 40.14 2p6s n ASN 20 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2p6s h GLY 21 N 4.36 0.00 1.44 7.41 0.00 -1.33 -1.93 103.07 113.02 2p6s h GLY 21 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2p6s h GLY 21 CO 0.81 0.00 -0.46 -0.09 0.00 0.00 0.00 176.54 176.80 2p6s h ARG 22 N 0.00 0.00 -5.36 4.80 2.43 -1.92 -3.49 114.38 110.84 2p6s h ARG 22 Ca 0.14 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.73 2p6s h ARG 22 Cb 0.68 0.00 0.12 0.00 -0.42 0.00 0.00 29.97 30.34 2p6s h ARG 22 CO -0.00 0.00 -0.63 1.28 -1.51 0.00 0.00 179.97 179.11 2p6s n LEU 23 N -2.37 -1.72 -4.79 3.80 4.77 -0.73 -4.92 117.00 111.04 2p6s n LEU 23 Ca 0.03 0.89 -0.36 0.00 -0.03 0.00 0.00 56.01 56.55 2p6s n LEU 23 Cb 0.47 -0.82 -0.05 0.00 -2.33 0.00 0.00 43.42 40.68 2p6s n LEU 23 CO 0.35 -3.12 0.70 0.42 -1.33 0.00 0.00 177.39 174.41 2p6s s THR 24 N -1.15 3.95 0.56 -5.08 -4.23 -1.26 -4.85 115.64 103.59 2p6s s THR 24 Ca 0.55 1.42 0.23 0.00 -1.18 0.00 0.00 61.69 62.72 2p6s s THR 24 Cb -0.72 -3.70 0.32 0.00 1.34 0.00 0.00 72.50 69.74 2p6s s THR 24 CO 0.53 -0.06 2.18 -1.13 -0.54 0.00 0.00 174.62 175.59 2p6s h ASN 25 N 2.39 0.00 0.07 3.99 -1.24 -1.98 0.41 115.58 119.21 2p6s h ASN 25 Ca -0.48 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.52 2p6s h ASN 25 Cb 1.20 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.26 2p6s h ASN 25 CO 0.62 0.00 -0.03 0.58 -1.29 0.00 0.00 177.43 177.31 2p6s h VAL 26 N 0.00 1.02 -0.48 2.57 2.07 -1.96 0.19 116.25 119.66 2p6s h VAL 26 Ca 0.02 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 2p6s h VAL 26 Cb 0.10 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2p6s h VAL 26 CO -0.00 0.07 -0.14 -0.33 0.02 0.00 0.00 177.57 177.19 2p6s h GLU 27 N -0.22 0.91 -0.04 1.57 5.08 -1.52 -2.09 114.58 118.27 2p6s h GLU 27 Ca -0.01 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 2p6s h GLU 27 Cb 0.19 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2p6s h GLU 27 CO 0.02 0.99 0.00 1.25 -1.00 0.00 0.00 179.01 180.27 2p6s h LEU 28 N 0.81 0.07 -2.05 1.33 5.85 -0.22 -2.10 115.31 119.00 2p6s h LEU 28 Ca 0.13 -0.29 0.09 0.00 0.84 0.00 0.00 57.88 58.65 2p6s h LEU 28 Cb 0.67 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 2p6s h LEU 28 CO 0.05 0.34 0.24 0.77 -0.34 0.00 0.00 178.44 179.50 2p6s h SER 29 N -0.21 0.00 0.18 1.25 4.64 -0.58 -1.64 113.55 117.19 2p6s h SER 29 Ca 0.01 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.08 2p6s h SER 29 Cb 0.30 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2p6s h SER 29 CO 0.00 0.00 -1.03 -0.08 -0.87 0.00 0.00 176.83 174.85 2p6s h GLU 30 N 0.00 0.56 0.00 4.77 4.81 -1.04 -0.50 114.58 123.19 2p6s h GLU 30 Ca 0.15 -0.63 -0.03 0.00 -0.13 0.00 0.00 59.36 58.73 2p6s h GLU 30 Cb 0.63 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.19 2p6s h GLU 30 CO -0.00 1.24 -0.12 0.00 -0.73 0.00 0.00 179.01 179.40 2p6s h ARG 31 N 0.30 0.00 -0.40 1.92 3.08 -0.63 -3.12 114.38 115.54 2p6s h ARG 31 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2p6s h ARG 31 Cb 1.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.73 2p6s h ARG 31 CO 0.19 0.12 0.00 1.33 -1.07 0.00 0.00 179.97 180.54 2p6s n VAL 32 N -3.18 0.83 -3.23 2.04 0.24 -1.00 -5.02 118.33 109.01 2p6s n VAL 32 Ca 0.02 -0.92 -0.06 0.00 -2.04 0.00 0.00 64.34 61.34 2p6s n VAL 32 Cb 0.47 0.64 0.00 0.00 -1.47 0.00 0.00 33.84 33.47 2p6s n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2p6s n ALA 33 N 0.89 -2.58 -3.31 2.33 0.00 -1.10 -5.00 120.51 111.74 2p6s n ALA 33 Ca 0.15 -0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.40 2p6s n ALA 33 Cb 0.47 -1.33 -0.09 0.00 0.00 0.00 0.00 19.45 18.50 2p6s n ALA 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2p6s s LEU 34 N -4.21 0.43 0.53 0.00 1.43 -0.21 -5.05 118.68 111.59 2p6s s LEU 34 Ca 0.00 0.69 -0.21 0.00 -1.03 0.00 0.00 54.13 53.59 2p6s s LEU 34 Cb -0.00 1.46 -0.08 0.00 0.03 0.00 0.00 46.19 47.61 2p6s s LEU 34 CO 0.78 -0.23 0.89 -1.20 0.23 0.00 0.00 176.35 176.83 2p6s n SER 35 N 2.45 0.59 -0.29 2.29 7.64 -1.26 -4.39 113.62 120.66 2p6s n SER 35 Ca -0.15 0.88 0.05 0.00 1.01 0.00 0.00 58.87 60.66 2p6s n SER 35 Cb 0.57 -1.33 0.19 0.00 -1.01 0.00 0.00 64.21 62.63 2p6s n SER 35 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2p6s h PRO 36 N 0.84 0.66 -0.17 1.43 0.11 -1.90 -2.97 132.00 130.00 2p6s h PRO 36 Ca -0.46 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.66 2p6s h PRO 36 Cb 1.36 -0.15 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 2p6s h PRO 36 CO 0.52 0.44 -0.29 0.77 -0.21 0.00 0.00 178.00 179.23 2p6s h SER 37 N 0.68 -0.91 0.88 -2.05 0.02 -1.97 -1.36 113.55 108.84 2p6s h SER 37 Ca 0.43 0.14 -0.16 0.00 -0.84 0.00 0.00 61.79 61.36 2p6s h SER 37 Cb 0.52 0.40 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 2p6s h SER 37 CO -0.31 -0.33 -0.76 -0.65 -1.14 0.00 0.00 176.83 173.64 2p6s h PRO 38 N -0.34 0.00 -0.49 3.45 0.11 -1.95 -2.96 132.00 129.82 2p6s h PRO 38 Ca 0.11 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.28 2p6s h PRO 38 Cb 0.51 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.59 2p6s h PRO 38 CO -0.37 0.76 0.33 0.00 -0.21 0.00 0.00 178.00 178.51 2p6s h LEU 40 N 0.41 0.00 0.00 0.00 6.46 -1.21 -2.27 115.31 118.70 2p6s h LEU 40 Ca 0.21 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.95 2p6s h LEU 40 Cb 0.32 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 2p6s h LEU 40 CO -0.05 0.07 -0.08 -0.09 -0.62 0.00 0.00 178.44 177.67 2p6s h ARG 41 N 0.00 0.05 -0.39 1.25 2.43 -1.09 -3.05 114.38 113.58 2p6s h ARG 41 Ca -0.01 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2p6s h ARG 41 Cb 1.06 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.58 2p6s h ARG 41 CO 0.01 0.84 0.14 0.00 -1.51 0.00 0.00 179.97 179.45 2p6s h ARG 42 N -0.72 0.29 -0.54 0.20 3.08 -0.75 -1.94 114.38 113.99 2p6s h ARG 42 Ca -0.01 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 2p6s h ARG 42 Cb 0.87 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 2p6s h ARG 42 CO 0.02 0.19 0.05 1.25 -1.07 0.00 0.00 179.97 180.41 2p6s h LEU 43 N 0.30 0.90 -0.87 3.04 5.85 -1.54 -1.43 115.31 121.56 2p6s h LEU 43 Ca 0.18 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 2p6s h LEU 43 Cb 0.16 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2p6s h LEU 43 CO -0.18 0.96 0.31 0.50 -0.34 0.00 0.00 178.44 179.68 2p6s h LYS 44 N 0.81 1.13 0.00 1.25 3.64 -1.41 0.19 116.57 122.18 2p6s h LYS 44 Ca 0.16 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 2p6s h LYS 44 Cb 0.47 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2p6s h LYS 44 CO 0.02 0.91 -0.28 1.96 -2.27 0.00 0.00 179.45 179.80 2p6s h GLN 45 N 1.10 0.00 -0.06 1.90 4.20 -1.11 0.23 115.11 121.37 2p6s h GLN 45 Ca 0.26 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.73 2p6s h GLN 45 Cb 0.20 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.99 2p6s h GLN 45 CO -0.02 0.28 -0.89 -0.07 -0.67 0.00 0.00 178.83 177.45 2p6s h LEU 46 N 0.00 0.80 -0.77 1.46 3.38 -0.46 -2.47 115.31 117.26 2p6s h LEU 46 Ca -0.00 -0.58 -0.11 0.00 0.09 0.00 0.00 57.88 57.28 2p6s h LEU 46 Cb 0.64 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2p6s h LEU 46 CO 0.04 1.37 -0.23 -0.33 0.09 0.00 0.00 178.44 179.37 2p6s h GLU 47 N 0.40 0.68 -0.02 1.13 5.08 0.01 -2.82 114.58 119.04 2p6s h GLU 47 Ca -0.08 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2p6s h GLU 47 Cb 1.52 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.74 2p6s h GLU 47 CO 0.17 0.85 -0.17 -0.25 -1.00 0.00 0.00 179.01 178.61 2p6s n ASP 48 N -4.11 1.99 -0.03 1.42 8.00 0.74 -3.78 116.55 120.79 2p6s n ASP 48 Ca -0.00 -1.53 0.11 0.00 0.71 0.00 0.00 54.79 54.07 2p6s n ASP 48 Cb 0.43 0.15 0.02 0.00 -0.02 0.00 0.00 41.12 41.70 2p6s n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2p6s n ALA 49 N 0.32 4.26 0.00 2.24 0.00 -0.93 -4.98 120.51 121.42 2p6s n ALA 49 Ca 0.14 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2p6s n ALA 49 Cb 0.46 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.01 2p6s n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p6s n GLY 50 N 1.49 2.14 0.43 0.00 0.00 -1.22 -4.99 105.19 103.04 2p6s n GLY 50 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 2p6s n GLY 50 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2p6s h ILE 51 N 0.00 0.00 -2.87 -0.61 2.04 -1.78 -3.16 117.51 111.13 2p6s h ILE 51 Ca 0.00 0.00 -0.56 0.00 1.00 0.00 0.00 64.86 65.30 2p6s h ILE 51 Cb 0.00 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 35.99 2p6s h ILE 51 CO 0.00 0.00 0.92 -0.69 0.00 0.00 0.00 178.15 178.38 2p6s s VAL 52 N -5.52 3.99 -0.04 1.67 1.01 -1.12 -4.87 120.40 115.52 2p6s s VAL 52 Ca -0.14 0.56 0.12 0.00 0.00 0.00 0.00 61.98 62.53 2p6s s VAL 52 Cb 0.08 -4.76 -0.12 0.00 0.00 0.00 0.00 36.38 31.57 2p6s s VAL 52 CO 0.59 -1.50 1.12 0.08 0.00 0.00 0.00 175.10 175.39 2p6s h ARG 53 N 9.68 0.00 -1.74 2.72 0.11 -1.89 -3.43 114.38 119.82 2p6s h ARG 53 Ca -0.26 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.84 2p6s h ARG 53 Cb 1.06 0.00 -0.23 0.00 1.11 0.00 0.00 29.97 31.91 2p6s h ARG 53 CO 1.20 0.62 0.37 -1.14 0.10 0.00 0.00 179.97 181.12 2p6s s GLN 54 N -2.80 0.69 -0.12 0.08 0.74 -1.26 -5.14 119.66 111.84 2p6s s GLN 54 Ca 0.00 0.50 -0.11 0.00 0.05 0.00 0.00 55.36 55.80 2p6s s GLN 54 Cb 0.09 0.33 -0.05 0.00 1.10 0.00 0.00 33.01 34.48 2p6s s GLN 54 CO 0.80 -0.15 0.23 0.71 -0.55 0.00 0.00 175.29 176.33 2p6s s TYR 55 N -0.34 3.55 -0.01 1.67 2.02 -1.26 -5.11 117.35 117.88 2p6s s TYR 55 Ca -0.01 0.59 -0.03 0.00 -0.37 0.00 0.00 57.07 57.25 2p6s s TYR 55 Cb -0.03 -2.15 -0.00 0.00 -0.40 0.00 0.00 41.96 39.38 2p6s s TYR 55 CO 0.00 0.51 0.07 0.00 -1.57 0.00 0.00 175.55 174.55 2p6s s ALA 56 N -0.38 -0.15 -0.25 3.71 0.00 -1.26 -5.12 121.76 118.30 2p6s s ALA 56 Ca 0.16 -0.08 -0.20 0.00 0.00 0.00 0.00 51.96 51.84 2p6s s ALA 56 Cb -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 2p6s s ALA 56 CO 0.05 -0.11 0.61 0.00 0.00 0.00 0.00 175.76 176.30 2p6s s ALA 57 N -0.72 3.60 -0.19 0.00 0.00 -1.26 -4.97 121.76 118.23 2p6s s ALA 57 Ca -0.08 -0.46 -0.11 0.00 0.00 0.00 0.00 51.96 51.31 2p6s s ALA 57 Cb -0.05 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 2p6s s ALA 57 CO 0.00 -0.78 0.17 -0.51 0.00 0.00 0.00 175.76 174.65 2p6s s LEU 58 N 2.43 4.21 0.18 0.00 1.43 -1.26 -5.09 118.68 120.59 2p6s s LEU 58 Ca 0.25 0.30 0.07 0.00 -1.03 0.00 0.00 54.13 53.72 2p6s s LEU 58 Cb -0.16 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 2p6s s LEU 58 CO 0.09 0.15 0.03 -0.76 0.23 0.00 0.00 176.35 176.09 2p6s s LEU 59 N 0.42 3.43 -0.16 1.79 1.43 -1.26 -5.09 118.68 119.23 2p6s s LEU 59 Ca 0.10 -0.34 -0.29 0.00 -1.03 0.00 0.00 54.13 52.56 2p6s s LEU 59 Cb -0.12 -2.06 -0.00 0.00 0.03 0.00 0.00 46.19 44.04 2p6s s LEU 59 CO -0.00 0.08 1.08 -0.55 0.23 0.00 0.00 176.35 177.19 2p6s s SER 60 N -3.03 7.11 0.18 2.29 0.15 -1.26 -4.96 113.70 114.18 2p6s s SER 60 Ca 0.29 1.52 -0.09 0.00 0.70 0.00 0.00 55.95 58.37 2p6s s SER 60 Cb -0.09 -2.55 0.07 0.00 -1.71 0.00 0.00 66.02 61.74 2p6s s SER 60 CO 0.20 -0.61 1.61 1.55 1.20 0.00 0.00 173.24 177.19 2p6s h PRO 61 N 7.47 1.01 -0.16 5.44 0.13 -1.98 -2.57 132.00 141.35 2p6s h PRO 61 Ca -0.25 -0.37 -0.06 0.00 -0.87 0.00 0.00 66.00 64.46 2p6s h PRO 61 Cb 1.10 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 2p6s h PRO 61 CO 0.93 1.05 -0.15 1.05 -0.23 0.00 0.00 178.00 180.65 2p6s h GLU 62 N 0.90 0.26 -0.75 0.86 4.11 -1.92 -0.74 114.58 117.30 2p6s h GLU 62 Ca 0.14 -0.06 0.01 0.00 0.07 0.00 0.00 59.36 59.52 2p6s h GLU 62 Cb 0.66 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 2p6s h GLU 62 CO 0.05 0.41 0.49 1.03 0.07 0.00 0.00 179.01 181.06 2p6s h SER 63 N 0.24 0.85 -0.58 3.06 0.87 -1.80 -2.26 113.55 113.93 2p6s h SER 63 Ca 0.05 -0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.45 2p6s h SER 63 Cb 0.42 -0.21 -0.08 0.00 -0.44 0.00 0.00 62.40 62.09 2p6s h SER 63 CO 0.03 0.61 0.18 1.33 -0.53 0.00 0.00 176.83 178.44 2p6s n VAL 64 N -4.58 2.41 -0.41 2.23 0.24 -1.15 -4.93 118.33 112.14 2p6s n VAL 64 Ca 0.07 -1.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.11 2p6s n VAL 64 Cb 0.03 -0.41 0.00 0.00 -1.47 0.00 0.00 33.84 31.99 2p6s n VAL 64 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2p6s n ASN 65 N 0.05 0.00 -4.57 -1.34 4.13 -0.85 -4.96 115.26 107.72 2p6s n ASN 65 Ca 0.31 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 56.15 2p6s n ASN 65 Cb 1.16 -0.21 -0.01 0.00 -1.54 0.00 0.00 39.78 39.18 2p6s n ASN 65 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2p6s s LEU 66 N 0.00 3.73 0.07 3.41 1.43 -0.30 -4.42 118.68 122.60 2p6s s LEU 66 Ca 0.00 -2.12 -0.14 0.00 -1.03 0.00 0.00 54.13 50.84 2p6s s LEU 66 Cb 0.00 -2.58 -0.25 0.00 0.03 0.00 0.00 46.19 43.39 2p6s s LEU 66 CO 0.00 -1.29 1.16 1.23 0.23 0.00 0.00 176.35 177.68 2p6s h GLY 67 N 12.68 0.73 -6.92 -3.19 0.00 -1.56 -3.27 103.07 101.54 2p6s h GLY 67 Ca 0.37 -1.39 -0.61 0.00 0.00 0.00 0.00 47.33 45.70 2p6s h GLY 67 CO 1.45 1.22 0.47 -2.27 0.00 0.00 0.00 176.54 177.41 2p6s s LEU 68 N -7.97 4.12 -0.22 3.11 2.96 -0.07 -4.93 118.68 115.68 2p6s s LEU 68 Ca -0.09 0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 53.84 2p6s s LEU 68 Cb 0.06 -3.09 -0.02 0.00 0.50 0.00 0.00 46.19 43.65 2p6s s LEU 68 CO 0.92 -0.96 -0.01 -1.58 -1.32 0.00 0.00 176.35 173.41 2p6s s GLN 69 N 3.49 3.49 0.35 1.98 0.74 -1.26 0.96 119.66 129.41 2p6s s GLN 69 Ca 0.34 -0.57 0.08 0.00 0.05 0.00 0.00 55.36 55.25 2p6s s GLN 69 Cb -0.11 -3.09 -0.03 0.00 1.10 0.00 0.00 33.01 30.88 2p6s s GLN 69 CO 0.24 -0.14 0.24 0.00 -0.55 0.00 0.00 175.29 175.07 2p6s s ALA 70 N 1.38 3.72 -0.15 1.58 0.00 0.64 -1.52 121.76 127.41 2p6s s ALA 70 Ca 0.05 -1.76 -0.03 0.00 0.00 0.00 0.00 51.96 50.21 2p6s s ALA 70 Cb -0.15 -0.95 0.05 0.00 0.00 0.00 0.00 23.12 22.07 2p6s s ALA 70 CO -0.00 -0.01 0.04 -0.06 0.00 0.00 0.00 175.76 175.73 2p6s s PHE 71 N -2.38 0.66 -0.10 0.00 0.08 0.23 -2.62 117.98 113.85 2p6s s PHE 71 Ca 0.40 -0.47 0.01 0.00 0.12 0.00 0.00 56.93 56.99 2p6s s PHE 71 Cb -0.04 -0.85 -0.02 0.00 -0.57 0.00 0.00 43.02 41.54 2p6s s PHE 71 CO 0.25 -0.48 -0.12 0.42 -0.10 0.00 0.00 175.22 175.19 2p6s s ILE 72 N 1.98 3.24 -0.30 0.64 1.01 -0.37 0.22 121.20 127.62 2p6s s ILE 72 Ca 0.02 -0.62 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 2p6s s ILE 72 Cb -0.15 -2.33 0.04 0.00 0.01 0.00 0.00 42.46 40.02 2p6s s ILE 72 CO -0.07 0.55 0.02 -0.13 0.00 0.00 0.00 174.94 175.32 2p6s s ARG 73 N -0.17 2.59 0.03 2.79 0.52 -0.33 -0.01 118.95 124.38 2p6s s ARG 73 Ca 0.00 -1.17 0.06 0.00 -0.52 0.00 0.00 55.73 54.11 2p6s s ARG 73 Cb -0.13 -3.24 -0.03 0.00 0.52 0.00 0.00 34.95 32.06 2p6s s ARG 73 CO 0.03 -0.58 -0.14 0.08 0.02 0.00 0.00 175.30 174.70 2p6s s VAL 74 N 1.32 3.06 -0.10 3.52 1.01 -0.48 -1.93 120.40 126.80 2p6s s VAL 74 Ca -0.03 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 60.90 2p6s s VAL 74 Cb -0.19 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.90 2p6s s VAL 74 CO -0.00 0.34 -0.15 -0.44 0.00 0.00 0.00 175.10 174.85 2p6s s SER 75 N -1.47 2.40 0.21 3.32 0.01 -1.09 -1.17 113.70 115.91 2p6s s SER 75 Ca 0.16 -0.42 -0.19 0.00 1.31 0.00 0.00 55.95 56.81 2p6s s SER 75 Cb -0.11 -1.08 -0.08 0.00 0.21 0.00 0.00 66.02 64.97 2p6s s SER 75 CO 0.06 0.03 0.70 -0.63 0.41 0.00 0.00 173.24 173.81 2p6s s ILE 76 N 0.89 4.61 0.35 1.44 -1.09 -1.26 -0.40 121.20 125.74 2p6s s ILE 76 Ca -0.09 1.22 -0.29 0.00 -2.23 0.00 0.00 60.65 59.26 2p6s s ILE 76 Cb -0.15 -3.84 -0.11 0.00 -1.58 0.00 0.00 42.46 36.77 2p6s s ILE 76 CO 0.00 0.21 1.51 0.54 -1.23 0.00 0.00 174.94 175.97 2p6s n ARG 77 N 0.74 2.64 -2.78 2.79 1.74 0.35 -4.68 116.66 117.46 2p6s n ARG 77 Ca -0.03 0.93 -0.43 0.00 -0.77 0.00 0.00 57.85 57.55 2p6s n ARG 77 Cb 0.51 -2.67 -0.01 0.00 -1.02 0.00 0.00 32.46 29.28 2p6s n ARG 77 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2p6s s LYS 78 N -1.58 3.90 0.00 5.56 -0.14 -1.26 -4.74 119.74 121.48 2p6s s LYS 78 Ca 0.57 -2.05 0.00 0.00 -1.36 0.00 0.00 55.97 53.12 2p6s s LYS 78 Cb -0.49 -5.23 0.00 0.00 -1.68 0.00 0.00 37.83 30.43 2p6s s LYS 78 CO 0.59 -1.98 0.00 0.00 -0.76 0.00 0.00 175.35 173.20 2p6s n ALA 79 N 7.11 0.00 -2.14 5.17 0.00 -1.26 -5.13 120.51 124.26 2p6s n ALA 79 Ca 0.38 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.47 2p6s n ALA 79 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 2p6s n ALA 79 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2p6s s LYS 80 N -0.72 4.13 0.00 0.00 1.02 -1.26 -4.37 119.74 118.54 2p6s s LYS 80 Ca 0.00 0.75 0.00 0.00 0.02 0.00 0.00 55.97 56.74 2p6s s LYS 80 Cb 0.00 -2.71 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 2p6s s LYS 80 CO 0.00 0.31 0.00 -0.25 -0.92 0.00 0.00 175.35 174.49 2p6s n ASP 81 N 0.30 0.00 -0.32 2.83 8.00 -1.26 -4.75 116.55 121.35 2p6s n ASP 81 Ca -0.00 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.63 2p6s n ASP 81 Cb 0.52 -0.11 0.32 0.00 -0.02 0.00 0.00 41.12 41.83 2p6s n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2p6s h ALA 82 N 0.00 1.55 -0.88 2.24 0.00 -1.87 0.31 119.26 120.61 2p6s h ALA 82 Ca 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2p6s h ALA 82 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2p6s h ALA 82 CO 0.00 -0.24 0.51 -0.09 0.00 0.00 0.00 179.25 179.42 2p6s h ARG 83 N 0.54 1.22 0.03 0.00 2.43 -1.85 -0.93 114.38 115.82 2p6s h ARG 83 Ca 0.57 -0.13 -0.25 0.00 -0.81 0.00 0.00 59.98 59.36 2p6s h ARG 83 Cb 1.03 -0.25 0.01 0.00 -0.42 0.00 0.00 29.97 30.35 2p6s h ARG 83 CO -0.47 0.87 -1.04 1.49 -1.51 0.00 0.00 179.97 179.32 2p6s h GLU 84 N 1.23 0.52 -0.15 0.20 4.57 -0.95 -2.63 114.58 117.35 2p6s h GLU 84 Ca 0.31 -0.59 -0.03 0.00 -1.18 0.00 0.00 59.36 57.87 2p6s h GLU 84 Cb -0.01 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2p6s h GLU 84 CO -0.05 1.22 -0.02 -0.44 -1.18 0.00 0.00 179.01 178.54 2p6s h ASP 85 N 0.27 0.27 -0.90 1.04 3.45 -0.41 0.07 116.42 120.22 2p6s h ASP 85 Ca -0.11 -0.34 0.03 0.00 0.43 0.00 0.00 57.03 57.04 2p6s h ASP 85 Cb 1.69 -0.07 -0.05 0.00 -0.56 0.00 0.00 39.33 40.34 2p6s h ASP 85 CO 0.19 0.55 0.58 0.15 -1.57 0.00 0.00 179.24 179.14 2p6s h PHE 86 N -0.00 1.10 0.24 4.55 3.57 -1.28 0.16 116.94 125.28 2p6s h PHE 86 Ca 0.04 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2p6s h PHE 86 Cb 0.41 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 2p6s h PHE 86 CO 0.04 0.64 -0.15 0.00 -2.23 0.00 0.00 178.31 176.61 2p6s h ALA 87 N 1.37 -0.36 -0.35 2.41 0.00 -1.28 -0.54 119.26 120.51 2p6s h ALA 87 Ca 0.36 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 2p6s h ALA 87 Cb -0.01 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2p6s h ALA 87 CO -0.11 -0.71 -0.17 0.00 0.00 0.00 0.00 179.25 178.25 2p6s h ALA 88 N 0.37 1.05 -0.50 0.00 0.00 -0.74 -2.33 119.26 117.10 2p6s h ALA 88 Ca -0.02 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 2p6s h ALA 88 Cb 0.31 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2p6s h ALA 88 CO 0.02 0.58 -0.04 0.77 0.00 0.00 0.00 179.25 180.58 2p6s h SER 89 N 0.58 0.91 0.13 0.00 0.02 -0.66 -2.92 113.55 111.61 2p6s h SER 89 Ca 0.09 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.69 2p6s h SER 89 Cb 0.62 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 2p6s h SER 89 CO 0.04 1.02 -0.11 0.58 -1.14 0.00 0.00 176.83 177.23 2p6s h VAL 90 N 0.78 0.97 0.00 2.27 2.07 -0.81 -2.01 116.25 119.52 2p6s h VAL 90 Ca 0.14 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 2p6s h VAL 90 Cb 0.58 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2p6s h VAL 90 CO 0.03 0.10 -0.33 0.03 0.02 0.00 0.00 177.57 177.43 2p6s h ARG 91 N 0.00 0.00 -0.02 1.57 3.08 -1.23 -3.09 114.38 114.69 2p6s h ARG 91 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2p6s h ARG 91 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2p6s h ARG 91 CO 0.01 0.33 -0.17 0.36 -1.07 0.00 0.00 179.97 179.43 2p6s n LYS 92 N -3.40 1.46 -3.03 0.04 2.85 -0.78 -4.78 118.16 110.52 2p6s n LYS 92 Ca 0.00 -1.02 -0.44 0.00 -1.05 0.00 0.00 58.31 55.81 2p6s n LYS 92 Cb 0.52 -1.48 -0.05 0.00 -0.65 0.00 0.00 35.03 33.37 2p6s n LYS 92 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2p6s s TRP 93 N -2.24 2.92 0.41 5.58 0.51 -1.08 -4.93 118.94 120.11 2p6s s TRP 93 Ca 0.28 -0.55 0.29 0.00 -2.12 0.00 0.00 56.10 54.01 2p6s s TRP 93 Cb 0.20 -3.89 1.52 0.00 -0.81 0.00 0.00 33.47 30.49 2p6s s TRP 93 CO 0.43 -1.27 2.09 -1.00 -0.51 0.00 0.00 176.95 176.69 2p6s h PRO 94 N 9.20 0.00 0.00 4.98 0.13 -1.87 -2.16 132.00 142.29 2p6s h PRO 94 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2p6s h PRO 94 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2p6s h PRO 94 CO 1.06 0.10 0.00 1.05 -0.23 0.00 0.00 178.00 179.98 2p6s h GLU 95 N 0.00 0.00 -5.48 0.86 9.09 -1.92 -3.40 114.58 113.73 2p6s h GLU 95 Ca -0.00 0.00 -0.65 0.00 0.05 0.00 0.00 59.36 58.76 2p6s h GLU 95 Cb 0.31 0.00 -0.15 0.00 -1.65 0.00 0.00 28.75 27.27 2p6s h GLU 95 CO 0.01 0.00 0.17 0.08 0.05 0.00 0.00 179.01 179.32 2p6s s VAL 96 N -3.49 4.79 -0.14 -1.06 1.01 -0.81 -1.83 120.40 118.88 2p6s s VAL 96 Ca 0.03 0.18 -0.18 0.00 0.00 0.00 0.00 61.98 62.01 2p6s s VAL 96 Cb 0.07 -4.23 -0.25 0.00 0.00 0.00 0.00 36.38 31.98 2p6s s VAL 96 CO 0.59 -0.62 0.47 -0.07 0.00 0.00 0.00 175.10 175.47 2p6s h LEU 97 N 9.77 0.24 -8.54 3.92 4.07 -1.40 -3.46 115.31 119.91 2p6s h LEU 97 Ca -0.25 -0.78 -0.43 0.00 0.08 0.00 0.00 57.88 56.50 2p6s h LEU 97 Cb 1.09 -0.08 -0.20 0.00 1.08 0.00 0.00 40.66 42.56 2p6s h LEU 97 CO 0.90 1.53 -0.77 -0.94 -1.08 0.00 0.00 178.44 178.09 2p6s s SER 98 N -6.89 1.92 -0.13 -0.43 1.04 -1.13 -5.01 113.70 103.06 2p6s s SER 98 Ca -0.22 -0.73 -0.05 0.00 0.48 0.00 0.00 55.95 55.43 2p6s s SER 98 Cb 0.04 -0.07 0.06 0.00 0.10 0.00 0.00 66.02 66.16 2p6s s SER 98 CO 0.71 -0.10 0.28 0.00 0.98 0.00 0.00 173.24 175.11 2p6s s PHE 100 N 2.24 2.00 -0.40 0.00 0.08 -0.26 -4.97 117.98 116.67 2p6s s PHE 100 Ca -0.01 -0.40 -0.20 0.00 0.12 0.00 0.00 56.93 56.44 2p6s s PHE 100 Cb -0.12 -1.09 0.01 0.00 -0.57 0.00 0.00 43.02 41.25 2p6s s PHE 100 CO -0.09 0.25 0.61 0.00 -0.10 0.00 0.00 175.22 175.89 2p6s s ALA 101 N -1.11 3.40 0.26 5.36 0.00 -1.26 -0.36 121.76 128.06 2p6s s ALA 101 Ca 0.09 -1.08 0.06 0.00 0.00 0.00 0.00 51.96 51.03 2p6s s ALA 101 Cb -0.10 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 2p6s s ALA 101 CO 0.05 -1.55 0.36 -0.51 0.00 0.00 0.00 175.76 174.10 2p6s s LEU 102 N 2.69 4.18 0.75 0.00 1.43 -0.91 -4.98 118.68 121.84 2p6s s LEU 102 Ca 0.22 -0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 53.18 2p6s s LEU 102 Cb -0.15 -2.77 0.04 0.00 0.03 0.00 0.00 46.19 43.35 2p6s s LEU 102 CO 0.17 -0.14 1.12 0.42 0.23 0.00 0.00 176.35 178.15 2p6s s THR 103 N -2.04 2.98 0.00 5.49 -4.23 -1.26 -4.57 115.64 112.00 2p6s s THR 103 Ca 0.36 0.32 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 2p6s s THR 103 Cb -0.09 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.46 2p6s s THR 103 CO 0.29 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 2p6s n GLY 104 N -3.03 -1.32 0.10 3.99 0.00 -1.26 -4.64 105.19 99.03 2p6s n GLY 104 Ca 0.07 -2.08 -0.10 0.00 0.00 0.00 0.00 46.02 43.92 2p6s n GLY 104 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2p6s h GLU 105 N 0.19 0.19 -6.42 1.61 5.08 -2.04 -3.43 114.58 109.77 2p6s h GLU 105 Ca 0.00 -0.01 -0.54 0.00 -1.00 0.00 0.00 59.36 57.81 2p6s h GLU 105 Cb 0.00 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 2p6s h GLU 105 CO 0.00 0.12 -0.11 -0.08 -1.00 0.00 0.00 179.01 177.95 2p6s s THR 106 N -6.18 4.92 -0.18 1.13 -1.32 -1.26 -5.02 115.64 107.72 2p6s s THR 106 Ca -0.13 0.55 0.01 0.00 -1.21 0.00 0.00 61.69 60.91 2p6s s THR 106 Cb 0.09 -3.64 -0.22 0.00 -1.51 0.00 0.00 72.50 67.22 2p6s s THR 106 CO 0.69 -0.01 0.11 0.47 -2.21 0.00 0.00 174.62 173.67 2p6s n ASP 107 N 0.05 1.72 -4.26 8.08 8.00 -1.23 -4.52 116.55 124.39 2p6s n ASP 107 Ca -0.01 0.06 -0.24 0.00 0.71 0.00 0.00 54.79 55.31 2p6s n ASP 107 Cb 0.52 -0.40 -0.13 0.00 -0.02 0.00 0.00 41.12 41.09 2p6s n ASP 107 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2p6s s TYR 108 N -2.54 1.74 -0.07 1.24 2.02 -0.32 -2.14 117.35 117.29 2p6s s TYR 108 Ca -0.25 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.08 2p6s s TYR 108 Cb 0.08 -0.99 0.01 0.00 -0.40 0.00 0.00 41.96 40.65 2p6s s TYR 108 CO 0.71 0.15 -0.16 -1.17 -1.57 0.00 0.00 175.55 173.51 2p6s s LEU 109 N -1.62 1.82 -0.05 -1.29 2.96 0.51 -1.38 118.68 119.63 2p6s s LEU 109 Ca 0.06 -0.37 0.05 0.00 -0.22 0.00 0.00 54.13 53.66 2p6s s LEU 109 Cb -0.09 -0.98 -0.02 0.00 0.50 0.00 0.00 46.19 45.60 2p6s s LEU 109 CO 0.03 0.09 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.18 2p6s s LEU 110 N 0.41 2.30 -0.24 -0.68 1.02 0.98 -1.11 118.68 121.36 2p6s s LEU 110 Ca -0.12 -0.41 -0.06 0.00 0.02 0.00 0.00 54.13 53.56 2p6s s LEU 110 Cb -0.15 -1.43 -0.02 0.00 0.02 0.00 0.00 46.19 44.61 2p6s s LEU 110 CO 0.04 0.28 0.03 -1.58 0.02 0.00 0.00 176.35 175.14 2p6s s GLN 111 N -0.35 3.55 0.05 1.70 0.74 -0.53 -1.24 119.66 123.59 2p6s s GLN 111 Ca 0.02 -0.53 -0.00 0.00 0.05 0.00 0.00 55.36 54.90 2p6s s GLN 111 Cb -0.12 -3.20 -0.04 0.00 1.10 0.00 0.00 33.01 30.75 2p6s s GLN 111 CO 0.02 -0.18 -0.04 0.00 -0.55 0.00 0.00 175.29 174.54 2p6s s ALA 112 N 1.53 0.54 0.11 1.58 0.00 -1.08 -1.25 121.76 123.19 2p6s s ALA 112 Ca 0.06 -1.12 0.09 0.00 0.00 0.00 0.00 51.96 50.99 2p6s s ALA 112 Cb -0.15 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2p6s s ALA 112 CO 0.01 -0.30 -0.22 -0.06 0.00 0.00 0.00 175.76 175.19 2p6s s PHE 113 N -3.39 1.92 0.07 0.00 0.08 -0.76 -0.26 117.98 115.64 2p6s s PHE 113 Ca 0.04 -0.41 -0.13 0.00 0.12 0.00 0.00 56.93 56.55 2p6s s PHE 113 Cb 0.04 -1.05 0.02 0.00 -0.57 0.00 0.00 43.02 41.46 2p6s s PHE 113 CO -0.07 0.24 0.30 -0.06 -0.10 0.00 0.00 175.22 175.53 2p6s s PHE 114 N -1.15 -0.07 0.01 0.36 0.08 0.27 -4.82 117.98 112.66 2p6s s PHE 114 Ca 0.08 -0.15 -0.23 0.00 0.12 0.00 0.00 56.93 56.76 2p6s s PHE 114 Cb -0.10 0.09 -0.17 0.00 -0.57 0.00 0.00 43.02 42.27 2p6s s PHE 114 CO 0.05 -0.55 1.28 1.79 -0.10 0.00 0.00 175.22 177.70 2p6s h THR 115 N 2.98 1.38 0.00 0.64 1.35 -1.82 -0.09 112.91 117.35 2p6s h THR 115 Ca -0.33 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.22 2p6s h THR 115 Cb 1.21 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 2p6s h THR 115 CO 0.48 0.37 0.00 -0.90 -0.25 0.00 0.00 175.52 175.22 2p6s n ASP 116 N -4.65 0.00 0.00 5.36 5.68 -1.26 -3.67 116.55 118.00 2p6s n ASP 116 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 2p6s n ASP 116 Cb 0.34 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 2p6s n ASP 116 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 2p6s n ASN 118 N 0.00 0.00 0.05 -1.12 4.05 -1.26 -1.71 115.26 115.28 2p6s n ASN 118 Ca 0.00 0.00 0.03 0.00 0.45 0.00 0.00 54.58 55.06 2p6s n ASN 118 Cb 0.00 0.00 0.42 0.00 1.23 0.00 0.00 39.78 41.43 2p6s n ASN 118 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2p6s h ALA 119 N 0.00 1.63 -0.24 5.20 0.00 -1.98 -2.89 119.26 120.98 2p6s h ALA 119 Ca 0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2p6s h ALA 119 Cb 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2p6s h ALA 119 CO 0.00 0.29 -0.26 0.35 0.00 0.00 0.00 179.25 179.63 2p6s h PHE 120 N 0.41 0.72 -0.35 0.00 3.57 -1.74 -2.91 116.94 116.65 2p6s h PHE 120 Ca 0.10 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.38 2p6s h PHE 120 Cb 0.11 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2p6s h PHE 120 CO 0.00 0.94 0.22 0.66 -2.23 0.00 0.00 178.31 177.90 2p6s h SER 121 N 0.30 0.41 -0.63 0.41 4.64 -1.82 0.14 113.55 117.01 2p6s h SER 121 Ca 0.03 -0.03 0.09 0.00 -0.47 0.00 0.00 61.79 61.41 2p6s h SER 121 Cb 0.83 -0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 62.74 2p6s h SER 121 CO 0.06 0.32 0.27 -0.74 -0.87 0.00 0.00 176.83 175.87 2p6s h HIS 122 N 0.47 0.47 0.30 4.77 -0.00 -1.57 0.30 115.15 119.90 2p6s h HIS 122 Ca 0.13 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.51 2p6s h HIS 122 Cb -0.03 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.27 2p6s h HIS 122 CO -0.05 0.15 -0.15 0.35 -0.00 0.00 0.00 177.93 178.24 2p6s h PHE 123 N 0.47 -0.38 -0.38 5.26 3.57 -1.12 -0.60 116.94 123.77 2p6s h PHE 123 Ca 0.31 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.82 2p6s h PHE 123 Cb 0.36 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 2p6s h PHE 123 CO -0.14 -0.08 0.23 0.28 -2.23 0.00 0.00 178.31 176.36 2p6s h VAL 124 N -0.66 1.05 0.00 1.41 2.07 -0.47 -0.97 116.25 118.67 2p6s h VAL 124 Ca -0.04 -0.16 -0.14 0.00 0.82 0.00 0.00 66.70 67.18 2p6s h VAL 124 Cb 0.46 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2p6s h VAL 124 CO 0.07 0.08 -0.65 -0.07 0.02 0.00 0.00 177.57 177.02 2p6s h LEU 125 N 0.46 0.00 -0.27 2.57 3.38 -0.39 -1.15 115.31 119.90 2p6s h LEU 125 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2p6s h LEU 125 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2p6s h LEU 125 CO -0.07 0.65 -0.17 0.47 0.09 0.00 0.00 178.44 179.42 2p6s n ASP 126 N -3.34 0.49 0.05 -0.43 8.00 -0.24 -4.50 116.55 116.59 2p6s n ASP 126 Ca 0.01 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.76 2p6s n ASP 126 Cb 0.76 0.77 0.00 0.00 -0.02 0.00 0.00 41.12 42.63 2p6s n ASP 126 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2p6s n THR 127 N -0.79 0.61 0.22 -3.53 -1.04 -0.44 -4.72 114.28 104.59 2p6s n THR 127 Ca 0.01 0.20 -0.15 0.00 -2.04 0.00 0.00 64.05 62.08 2p6s n THR 127 Cb 0.08 -1.13 -0.08 0.00 -1.82 0.00 0.00 70.33 67.39 2p6s n THR 127 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2p6s h LEU 128 N 0.00 -0.43 -0.30 -4.42 5.85 -1.36 -2.48 115.31 112.17 2p6s h LEU 128 Ca 0.00 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 2p6s h LEU 128 Cb 0.00 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 2p6s h LEU 128 CO 0.00 -0.24 -0.08 -0.07 -0.34 0.00 0.00 178.44 177.71 2p6s h LEU 129 N -0.59 0.00 -0.67 2.25 3.38 -1.46 -3.21 115.31 115.02 2p6s h LEU 129 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2p6s h LEU 129 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2p6s h LEU 129 CO 0.09 0.08 -0.14 -1.54 0.09 0.00 0.00 178.44 177.01 2p6s n SER 130 N -3.13 1.18 -4.67 -0.43 3.41 -1.16 -4.83 113.62 103.99 2p6s n SER 130 Ca 0.03 -1.12 -0.43 0.00 -0.26 0.00 0.00 58.87 57.09 2p6s n SER 130 Cb 0.51 0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 2p6s n SER 130 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2p6s s HIS 131 N -2.30 2.86 0.49 7.33 5.04 -0.94 -4.92 115.29 122.86 2p6s s HIS 131 Ca 0.30 1.00 0.39 0.00 -1.54 0.00 0.00 55.06 55.22 2p6s s HIS 131 Cb 0.20 -3.51 1.59 0.00 0.04 0.00 0.00 32.58 30.89 2p6s s HIS 131 CO 0.44 -1.76 1.59 1.12 -2.34 0.00 0.00 174.74 173.79 2p6s h HIS 132 N 8.13 0.30 0.03 3.88 2.07 -1.91 -0.62 115.15 127.03 2p6s h HIS 132 Ca -0.29 0.01 -0.22 0.00 -2.85 0.00 0.00 60.37 57.03 2p6s h HIS 132 Cb 1.12 -0.07 -0.02 0.00 2.57 0.00 0.00 27.41 31.01 2p6s h HIS 132 CO 0.79 -0.16 -1.00 0.78 -3.07 0.00 0.00 177.93 175.27 2p6s h GLY 133 N 0.01 0.13 -7.00 6.13 0.00 -1.91 -3.46 103.07 96.98 2p6s h GLY 133 Ca 0.89 -0.30 -0.55 0.00 0.00 0.00 0.00 47.33 47.37 2p6s h GLY 133 CO -0.27 0.26 1.11 0.14 0.00 0.00 0.00 176.54 177.78 2p6s s VAL 134 N -2.89 3.79 0.13 4.60 1.01 -0.24 0.13 120.40 126.94 2p6s s VAL 134 Ca -0.01 0.72 -0.14 0.00 0.00 0.00 0.00 61.98 62.55 2p6s s VAL 134 Cb 0.09 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 2p6s s VAL 134 CO 0.83 -1.01 1.57 -0.61 0.00 0.00 0.00 175.10 175.89 2p6s h GLN 135 N 11.20 0.78 -2.28 2.72 4.15 -1.00 -3.46 115.11 127.21 2p6s h GLN 135 Ca -0.27 -0.26 0.19 0.00 0.77 0.00 0.00 58.65 59.08 2p6s h GLN 135 Cb 1.10 -0.06 -0.08 0.00 0.21 0.00 0.00 27.48 28.65 2p6s h GLN 135 CO 1.15 0.86 0.54 0.16 -1.93 0.00 0.00 178.83 179.61 2p6s s ASP 136 N -6.31 -0.13 0.06 -0.69 1.47 -1.19 -5.01 116.67 104.87 2p6s s ASP 136 Ca -0.13 -0.43 -0.11 0.00 1.18 0.00 0.00 52.55 53.06 2p6s s ASP 136 Cb 0.11 0.46 0.01 0.00 -0.34 0.00 0.00 42.92 43.15 2p6s s ASP 136 CO 0.81 -0.86 0.24 0.00 0.68 0.00 0.00 175.17 176.04 2p6s s ALA 137 N -2.98 -0.47 -0.28 2.11 0.00 -1.26 -2.68 121.76 116.21 2p6s s ALA 137 Ca 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.82 2p6s s ALA 137 Cb -0.01 0.39 0.14 0.00 0.00 0.00 0.00 23.12 23.64 2p6s s ALA 137 CO 0.02 -0.45 0.31 -1.14 0.00 0.00 0.00 175.76 174.51 2p6s s GLN 138 N -3.07 0.33 -0.15 0.00 0.74 -0.81 -4.97 119.66 111.72 2p6s s GLN 138 Ca -0.01 -0.00 -0.05 0.00 0.05 0.00 0.00 55.36 55.34 2p6s s GLN 138 Cb 0.01 -0.63 -0.04 0.00 1.10 0.00 0.00 33.01 33.45 2p6s s GLN 138 CO -0.07 -0.96 0.04 -1.12 -0.55 0.00 0.00 175.29 172.63 2p6s s SER 139 N 2.40 5.46 0.02 6.67 0.01 -1.26 -1.18 113.70 125.82 2p6s s SER 139 Ca 0.09 0.09 0.06 0.00 1.31 0.00 0.00 55.95 57.50 2p6s s SER 139 Cb -0.14 -1.83 -0.02 0.00 0.21 0.00 0.00 66.02 64.24 2p6s s SER 139 CO -0.29 0.24 -0.18 -0.44 0.41 0.00 0.00 173.24 172.98 2p6s s SER 140 N -0.02 2.14 0.12 2.44 0.01 0.13 -4.96 113.70 113.55 2p6s s SER 140 Ca 0.05 -0.43 0.08 0.00 1.31 0.00 0.00 55.95 56.96 2p6s s SER 140 Cb -0.12 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 2p6s s SER 140 CO 0.01 0.15 -0.14 -0.36 0.41 0.00 0.00 173.24 173.32 2p6s s PHE 141 N -0.66 2.62 -0.38 2.43 0.08 -1.26 0.75 117.98 121.56 2p6s s PHE 141 Ca 0.06 -0.22 -0.26 0.00 0.12 0.00 0.00 56.93 56.63 2p6s s PHE 141 Cb -0.08 -1.37 0.02 0.00 -0.57 0.00 0.00 43.02 41.02 2p6s s PHE 141 CO 0.01 0.42 0.93 0.08 -0.10 0.00 0.00 175.22 176.55 2p6s s VAL 142 N -1.24 4.57 -0.28 -0.44 1.01 -0.58 -4.91 120.40 118.53 2p6s s VAL 142 Ca 0.20 1.15 0.23 0.00 0.00 0.00 0.00 61.98 63.55 2p6s s VAL 142 Cb -0.11 -4.35 0.06 0.00 0.00 0.00 0.00 36.38 31.98 2p6s s VAL 142 CO 0.12 -0.57 1.14 -0.07 0.00 0.00 0.00 175.10 175.72 2p6s h LEU 143 N 10.14 0.00 -7.00 3.92 3.38 -1.99 -3.45 115.31 120.32 2p6s h LEU 143 Ca -0.23 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 57.83 2p6s h LEU 143 Cb 1.08 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.56 2p6s h LEU 143 CO 0.99 0.00 0.38 -0.75 0.09 0.00 0.00 178.44 179.15 2p6s s LYS 144 N -3.33 0.42 -0.62 1.13 2.20 -1.26 -5.11 119.74 113.16 2p6s s LYS 144 Ca 0.01 0.68 -0.21 0.00 -0.36 0.00 0.00 55.97 56.08 2p6s s LYS 144 Cb 0.09 0.11 0.08 0.00 -1.51 0.00 0.00 37.83 36.60 2p6s s LYS 144 CO 0.77 -0.08 0.85 -2.00 -0.36 0.00 0.00 175.35 174.53 2p6s s GLU 145 N 1.14 3.09 0.12 4.03 2.12 -1.26 -4.86 118.70 123.08 2p6s s GLU 145 Ca -0.07 -1.00 -0.09 0.00 0.36 0.00 0.00 54.97 54.18 2p6s s GLU 145 Cb -0.04 -4.23 -0.12 0.00 0.26 0.00 0.00 34.13 30.00 2p6s s GLU 145 CO -0.14 -1.68 1.30 0.82 -0.54 0.00 0.00 175.26 175.02 2p6s h ILE 146 N 5.95 1.33 -2.26 -3.70 5.03 -2.04 -3.46 117.51 118.36 2p6s h ILE 146 Ca -0.29 -2.19 -0.07 0.00 -0.12 0.00 0.00 64.86 62.18 2p6s h ILE 146 Cb 1.08 2.22 -0.20 0.00 -3.03 0.00 0.00 36.82 36.88 2p6s h ILE 146 CO 1.14 0.67 0.05 -0.75 -0.68 0.00 0.00 178.15 178.59 2p6s s LYS 147 N -3.49 0.89 -0.26 2.37 2.20 -1.26 -5.16 119.74 115.03 2p6s s LYS 147 Ca -0.08 0.33 -0.14 0.00 -0.36 0.00 0.00 55.97 55.72 2p6s s LYS 147 Cb 0.09 0.42 0.08 0.00 -1.51 0.00 0.00 37.83 36.91 2p6s s LYS 147 CO 0.89 -0.24 0.63 -1.58 -0.36 0.00 0.00 175.35 174.69 2p6s s HIS 148 N -0.81 -1.03 -0.01 4.03 2.46 -1.26 -5.17 115.29 113.51 2p6s s HIS 148 Ca -0.09 2.02 -0.16 0.00 0.47 0.00 0.00 55.06 57.30 2p6s s HIS 148 Cb -0.02 0.60 0.03 0.00 -0.13 0.00 0.00 32.58 33.05 2p6s s HIS 148 CO 0.06 -0.52 0.35 -0.08 -2.47 0.00 0.00 174.74 172.09 2p6s s THR 149 N 1.80 0.06 -1.31 0.89 -1.32 -1.26 -5.03 115.64 109.47 2p6s s THR 149 Ca -0.09 -0.46 0.24 0.00 -1.21 0.00 0.00 61.69 60.17 2p6s s THR 149 Cb -0.07 -0.72 -0.03 0.00 -1.51 0.00 0.00 72.50 70.17 2p6s s THR 149 CO -0.19 -0.25 1.22 0.35 -2.21 0.00 0.00 174.62 173.54 2p6s n THR 150 N 1.09 0.00 -2.28 5.08 -2.24 -1.26 -4.92 114.28 109.75 2p6s n THR 150 Ca -0.21 -0.07 -0.43 0.00 -2.27 0.00 0.00 64.05 61.08 2p6s n THR 150 Cb 0.57 0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 69.47 2p6s n THR 150 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2p6s s SER 151 N -2.82 6.80 0.66 3.42 0.01 -1.26 -5.03 113.70 115.48 2p6s s SER 151 Ca 0.14 1.81 -0.13 0.00 1.31 0.00 0.00 55.95 59.08 2p6s s SER 151 Cb 0.17 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.86 2p6s s SER 151 CO 0.70 -0.87 1.06 -0.76 0.41 0.00 0.00 173.24 173.78 2p6s s LEU 152 N 3.85 3.28 0.30 2.44 1.43 -1.26 -5.06 118.68 123.67 2p6s s LEU 152 Ca 0.62 1.72 -0.27 0.00 -1.03 0.00 0.00 54.13 55.16 2p6s s LEU 152 Cb -0.25 -4.51 -0.10 0.00 0.03 0.00 0.00 46.19 41.36 2p6s s LEU 152 CO 0.21 -1.38 0.97 -2.16 0.23 0.00 0.00 176.35 174.22 2p6s s PRO 153 N -4.62 4.62 -0.00 1.29 0.04 -1.26 -4.98 135.00 130.09 2p6s s PRO 153 Ca 0.61 1.44 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2p6s s PRO 153 Cb -0.15 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.45 2p6s s PRO 153 CO 0.47 0.30 0.56 1.28 0.04 0.00 0.00 177.00 179.65 2p6s n LEU 154 N 0.81 0.20 -0.20 -3.56 4.77 -1.26 -4.85 117.00 112.91 2p6s n LEU 154 Ca 0.01 -0.23 -0.00 0.00 -0.03 0.00 0.00 56.01 55.76 2p6s n LEU 154 Cb 0.49 -0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.81 2p6s n LEU 154 CO 0.47 0.06 1.19 0.78 -1.33 0.00 0.00 177.39 178.55 2p6s h ASN 155 N 0.00 0.85 -0.49 -1.43 2.35 -1.95 -2.56 115.58 112.35 2p6s h ASN 155 Ca 0.00 -0.05 0.14 0.00 -0.55 0.00 0.00 56.30 55.84 2p6s h ASN 155 Cb 0.96 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 2p6s h ASN 155 CO 0.00 0.65 0.35 1.12 -1.65 0.00 0.00 177.43 177.90 2p6s h HIS 156 N 0.97 0.00 0.00 1.19 2.07 -2.04 0.27 115.15 117.62 2p6s h HIS 156 Ca 0.25 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.77 2p6s h HIS 156 Cb -0.04 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.94 2p6s h HIS 156 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 2p6s n LEU 157 N -4.39 0.49 -0.70 6.12 4.77 -0.96 -5.28 117.00 117.05 2p6s n LEU 157 Ca 0.09 0.60 0.13 0.00 -0.03 0.00 0.00 56.01 56.80 2p6s n LEU 157 Cb 0.56 -0.52 0.33 0.00 -2.33 0.00 0.00 43.42 41.47 2p6s n LEU 157 CO 0.37 -0.40 0.76 0.18 -1.33 0.00 0.00 177.39 176.97