#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s0h s LEU 2 N 0.00 4.14 0.38 1.34 1.43 -1.26 -5.03 118.68 119.67 1s0h s LEU 2 Ca 0.00 0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 53.60 1s0h s LEU 2 Cb 0.00 -2.64 -0.07 0.00 0.03 0.00 0.00 46.19 43.51 1s0h s LEU 2 CO 0.00 -0.16 0.74 -0.94 0.23 0.00 0.00 176.35 176.22 1s0h s SER 3 N 1.17 6.56 0.65 2.29 1.04 -1.26 -4.89 113.70 119.27 1s0h s SER 3 Ca 0.22 1.13 0.43 0.00 0.48 0.00 0.00 55.95 58.21 1s0h s SER 3 Cb -0.15 -2.32 2.29 0.00 0.10 0.00 0.00 66.02 65.94 1s0h s SER 3 CO 0.09 -0.34 2.33 0.00 0.98 0.00 0.00 173.24 176.30 1s0h h ALA 4 N 1.50 1.02 0.00 5.32 0.00 -1.99 0.29 119.26 125.40 1s0h h ALA 4 Ca -0.47 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1s0h h ALA 4 Cb 1.18 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1s0h h ALA 4 CO 0.64 0.00 -0.06 0.00 0.00 0.00 0.00 179.25 179.84 1s0h h ALA 5 N 2.00 0.97 0.05 0.00 0.00 -1.97 0.55 119.26 120.85 1s0h h ALA 5 Ca -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1s0h h ALA 5 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1s0h h ALA 5 CO 0.00 0.07 -0.02 -0.44 0.00 0.00 0.00 179.25 178.86 1s0h h ASP 6 N 0.00 -0.05 -0.69 0.00 3.32 -0.91 -0.29 116.42 117.80 1s0h h ASP 6 Ca -0.00 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 1s0h h ASP 6 Cb 0.98 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 1s0h h ASP 6 CO 0.01 0.38 0.40 0.11 -1.72 0.00 0.00 179.24 178.41 1s0h h LYS 7 N -0.49 0.96 -0.60 3.56 1.57 -0.52 -0.12 116.57 120.93 1s0h h LYS 7 Ca -0.01 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 1s0h h LYS 7 Cb 0.44 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1s0h h LYS 7 CO 0.01 0.69 0.06 1.15 -0.57 0.00 0.00 179.45 180.79 1s0h h THR 8 N 0.97 1.26 0.00 -0.16 2.02 -0.91 -2.80 112.91 113.30 1s0h h THR 8 Ca 0.25 -1.05 -0.11 0.00 0.77 0.00 0.00 66.41 66.27 1s0h h THR 8 Cb -0.00 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1s0h h THR 8 CO -0.04 0.38 -0.57 0.78 0.37 0.00 0.00 175.52 176.44 1s0h h ASN 9 N 0.91 0.00 0.04 4.18 -0.26 0.35 -2.34 115.58 118.46 1s0h h ASN 9 Ca 0.18 0.00 -0.23 0.00 -0.56 0.00 0.00 56.30 55.68 1s0h h ASN 9 Cb 0.47 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.75 1s0h h ASN 9 CO 0.02 0.52 -0.93 0.58 -1.06 0.00 0.00 177.43 176.56 1s0h h VAL 10 N 0.00 1.35 -0.67 2.81 2.07 -1.04 -2.54 116.25 118.22 1s0h h VAL 10 Ca -0.01 -2.27 -0.07 0.00 0.82 0.00 0.00 66.70 65.17 1s0h h VAL 10 Cb 1.41 2.60 -0.03 0.00 -1.52 0.00 0.00 31.29 33.75 1s0h h VAL 10 CO 0.07 0.68 0.16 0.11 0.02 0.00 0.00 177.57 178.61 1s0h h LYS 11 N 0.14 1.08 0.01 1.57 1.57 -1.44 -0.35 116.57 119.15 1s0h h LYS 11 Ca -0.13 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1s0h h LYS 11 Cb 1.63 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.79 1s0h h LYS 11 CO 0.18 0.96 -0.00 0.00 -0.57 0.00 0.00 179.45 180.02 1s0h h ALA 12 N 1.07 -0.01 -0.19 3.86 0.00 -1.46 -1.11 119.26 121.42 1s0h h ALA 12 Ca 0.21 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 1s0h h ALA 12 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1s0h h ALA 12 CO 0.00 -0.40 -0.64 0.00 0.00 0.00 0.00 179.25 178.21 1s0h h ALA 13 N 0.77 0.51 -0.12 0.00 0.00 -1.17 -0.22 119.26 119.02 1s0h h ALA 13 Ca -0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 1s0h h ALA 13 Cb 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1s0h h ALA 13 CO 0.00 0.70 -0.07 2.35 0.00 0.00 0.00 179.25 182.23 1s0h h TRP 14 N 0.51 0.18 -0.11 0.00 2.91 -0.99 0.23 115.95 118.68 1s0h h TRP 14 Ca -0.01 -0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.03 1s0h h TRP 14 Cb 1.23 -0.05 -0.00 0.00 -0.51 0.00 0.00 29.16 29.82 1s0h h TRP 14 CO 0.06 0.25 0.14 0.66 -1.03 0.00 0.00 178.44 178.52 1s0h h SER 15 N 0.17 0.00 0.19 2.65 4.64 0.31 -2.56 113.55 118.95 1s0h h SER 15 Ca 0.04 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.02 1s0h h SER 15 Cb 0.24 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.27 1s0h h SER 15 CO 0.01 0.00 -2.12 0.29 -0.87 0.00 0.00 176.83 174.14 1s0h n LYS 16 N -3.71 0.67 -0.35 4.77 5.02 0.74 -3.25 118.16 122.05 1s0h n LYS 16 Ca -0.00 0.12 0.13 0.00 -2.02 0.00 0.00 58.31 56.53 1s0h n LYS 16 Cb 0.24 -1.63 0.32 0.00 -0.02 0.00 0.00 35.03 33.94 1s0h n LYS 16 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1s0h h VAL 17 N 0.00 0.70 0.00 -0.18 2.07 -1.13 -3.47 116.25 114.25 1s0h h VAL 17 Ca -0.45 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1s0h h VAL 17 Cb 2.15 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1s0h h VAL 17 CO 0.05 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.38 1s0h n GLY 18 N -1.33 2.28 1.18 2.17 0.00 -0.99 -1.03 105.19 107.48 1s0h n GLY 18 Ca 0.23 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.89 1s0h n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s0h n GLY 19 N 0.00 1.97 0.13 -0.02 0.00 -1.26 -4.03 105.19 101.98 1s0h n GLY 19 Ca 0.00 -0.70 0.12 0.00 0.00 0.00 0.00 46.02 45.44 1s0h n GLY 19 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s0h n ASN 20 N 1.39 0.70 -0.42 1.61 3.02 -0.20 -4.06 115.26 117.30 1s0h n ASN 20 Ca 0.21 0.66 0.34 0.00 -0.03 0.00 0.00 54.58 55.76 1s0h n ASN 20 Cb 0.55 -0.81 0.63 0.00 -0.61 0.00 0.00 39.78 39.54 1s0h n ASN 20 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s0h h ALA 21 N 2.29 2.70 0.49 5.41 0.00 -1.70 1.59 119.26 130.05 1s0h h ALA 21 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1s0h h ALA 21 Cb 0.41 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1s0h h ALA 21 CO 0.00 -1.24 -0.35 0.78 0.00 0.00 0.00 179.25 178.44 1s0h h GLY 22 N 0.16 -0.89 2.00 0.00 0.00 -1.77 -0.83 103.07 101.74 1s0h h GLY 22 Ca 0.74 0.39 -0.13 0.00 0.00 0.00 0.00 47.33 48.34 1s0h h GLY 22 CO -0.32 -0.32 -0.63 1.05 0.00 0.00 0.00 176.54 176.32 1s0h h GLU 23 N -0.82 0.00 0.24 4.80 4.11 0.18 0.47 114.58 123.56 1s0h h GLU 23 Ca -0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 1s0h h GLU 23 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1s0h h GLU 23 CO 0.02 0.62 -0.11 0.74 0.07 0.00 0.00 179.01 180.35 1s0h h PHE 24 N 0.00 -0.29 0.00 2.06 -1.00 -0.42 -1.53 116.94 115.76 1s0h h PHE 24 Ca -0.01 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1s0h h PHE 24 Cb 1.48 0.10 0.00 0.00 3.61 0.00 0.00 35.95 41.14 1s0h h PHE 24 CO 0.00 -0.18 0.00 0.41 -1.61 0.00 0.00 178.31 176.93 1s0h n GLY 25 N -0.34 0.00 0.51 -1.45 0.00 -0.32 0.10 105.19 103.69 1s0h n GLY 25 Ca -0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.11 1s0h n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s0h n ALA 26 N -3.05 2.56 -0.03 4.61 0.00 0.15 -2.84 120.51 121.91 1s0h n ALA 26 Ca 0.00 -0.47 -0.22 0.00 0.00 0.00 0.00 53.44 52.75 1s0h n ALA 26 Cb 0.00 -1.14 -0.13 0.00 0.00 0.00 0.00 19.45 18.18 1s0h n ALA 26 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1s0h h GLU 27 N 2.37 0.18 -0.66 0.00 4.81 0.70 -3.06 114.58 118.92 1s0h h GLU 27 Ca 0.00 -0.30 0.15 0.00 -0.13 0.00 0.00 59.36 59.07 1s0h h GLU 27 Cb 0.51 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 1s0h h GLU 27 CO 0.00 1.15 0.45 0.00 -0.73 0.00 0.00 179.01 179.88 1s0h h ALA 28 N -0.14 2.25 -0.05 2.92 0.00 -1.28 -0.28 119.26 122.67 1s0h h ALA 28 Ca -0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1s0h h ALA 28 Cb 1.74 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 1s0h h ALA 28 CO -0.01 -0.43 0.01 -0.07 0.00 0.00 0.00 179.25 178.74 1s0h h LEU 29 N 0.26 0.08 0.08 0.00 3.38 -1.63 -2.81 115.31 114.68 1s0h h LEU 29 Ca 0.32 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1s0h h LEU 29 Cb 0.89 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1s0h h LEU 29 CO -0.07 0.33 -0.08 -0.08 0.09 0.00 0.00 178.44 178.63 1s0h h GLU 30 N -0.17 -0.15 -0.97 1.13 4.81 -1.00 -2.48 114.58 115.75 1s0h h GLU 30 Ca 0.02 0.01 0.39 0.00 -0.13 0.00 0.00 59.36 59.64 1s0h h GLU 30 Cb 0.29 0.03 -0.15 0.00 0.63 0.00 0.00 28.75 29.55 1s0h h GLU 30 CO 0.00 -0.10 0.55 0.54 -0.73 0.00 0.00 179.01 179.27 1s0h n ARG 31 N -2.74 -0.05 -0.14 1.92 1.74 -0.41 -0.95 116.66 116.03 1s0h n ARG 31 Ca -0.02 1.21 -0.12 0.00 -0.77 0.00 0.00 57.85 58.15 1s0h n ARG 31 Cb 0.07 -2.21 -0.01 0.00 -1.02 0.00 0.00 32.46 29.29 1s0h n ARG 31 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 1s0h h MET 32 N 0.00 0.97 -0.11 5.56 4.05 -1.17 -0.67 114.93 123.56 1s0h h MET 32 Ca 0.77 -0.46 -0.13 0.00 -0.28 0.00 0.00 59.70 59.60 1s0h h MET 32 Cb 2.13 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.93 1s0h h MET 32 CO -0.62 1.13 -0.43 0.74 0.23 0.00 0.00 176.91 177.95 1s0h h PHE 33 N 0.82 0.65 0.60 1.39 0.04 -0.77 0.44 116.94 120.10 1s0h h PHE 33 Ca 0.09 -0.27 -0.03 0.00 2.80 0.00 0.00 57.97 60.56 1s0h h PHE 33 Cb 0.88 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.92 1s0h h PHE 33 CO 0.06 1.03 -0.38 -0.07 -0.60 0.00 0.00 178.31 178.35 1s0h h LEU 34 N 0.08 -0.97 -0.04 1.54 -0.00 -1.49 -3.16 115.31 111.26 1s0h h LEU 34 Ca -0.02 0.06 -0.04 0.00 -0.00 0.00 0.00 57.88 57.87 1s0h h LEU 34 Cb 1.07 0.29 -0.01 0.00 -0.00 0.00 0.00 40.66 42.01 1s0h h LEU 34 CO 0.09 -0.58 -0.21 1.23 -0.00 0.00 0.00 178.44 178.97 1s0h h GLY 35 N -0.92 0.00 -6.73 0.83 0.00 -1.10 -3.33 103.07 91.82 1s0h h GLY 35 Ca -0.08 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.65 1s0h h GLY 35 CO 0.07 0.00 -0.79 -1.36 0.00 0.00 0.00 176.54 174.46 1s0h s PHE 36 N -3.12 2.05 -0.58 5.60 0.40 0.15 -5.03 117.98 117.44 1s0h s PHE 36 Ca 0.06 -2.64 0.26 0.00 -0.60 0.00 0.00 56.93 54.00 1s0h s PHE 36 Cb 0.06 -1.69 0.83 0.00 0.51 0.00 0.00 43.02 42.74 1s0h s PHE 36 CO 0.70 -0.73 1.75 -1.35 0.70 0.00 0.00 175.22 176.29 1s0h h PRO 37 N 5.85 0.00 -1.37 0.24 0.11 -1.66 -2.74 132.00 132.43 1s0h h PRO 37 Ca 0.16 0.00 0.40 0.00 0.11 0.00 0.00 66.00 66.67 1s0h h PRO 37 Cb 0.87 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.92 1s0h h PRO 37 CO 0.50 0.00 1.02 2.41 -0.21 0.00 0.00 178.00 181.72 1s0h n THR 38 N -2.41 0.00 0.13 -1.15 -1.04 -1.26 -2.05 114.28 106.49 1s0h n THR 38 Ca 0.04 1.06 0.08 0.00 -2.04 0.00 0.00 64.05 63.19 1s0h n THR 38 Cb 0.38 -1.78 0.04 0.00 -1.82 0.00 0.00 70.33 67.16 1s0h n THR 38 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1s0h h THR 39 N 0.00 0.26 0.00 12.58 1.35 -1.81 -3.32 112.91 121.97 1s0h h THR 39 Ca 0.65 -1.42 -0.03 0.00 -0.55 0.00 0.00 66.41 65.06 1s0h h THR 39 Cb 2.68 1.93 -0.00 0.00 -1.73 0.00 0.00 68.15 71.02 1s0h h THR 39 CO -0.01 0.15 -0.15 0.11 -0.25 0.00 0.00 175.52 175.37 1s0h h LYS 40 N 0.00 0.00 -0.32 4.72 1.57 -1.66 -2.48 116.57 118.40 1s0h h LYS 40 Ca -0.03 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.84 1s0h h LYS 40 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1s0h h LYS 40 CO 0.02 0.15 1.05 1.15 -0.57 0.00 0.00 179.45 181.25 1s0h h THR 41 N 0.00 0.00 -0.01 -0.16 2.02 -1.74 0.45 112.91 113.48 1s0h h THR 41 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1s0h h THR 41 Cb 0.49 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1s0h h THR 41 CO 0.02 0.00 -0.16 -1.22 0.37 0.00 0.00 175.52 174.53 1s0h n TYR 42 N -2.75 0.00 -2.74 3.16 4.01 -0.93 -4.51 117.16 113.40 1s0h n TYR 42 Ca 0.07 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.65 1s0h n TYR 42 Cb 1.14 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 40.18 1s0h n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1s0h n PHE 43 N -0.10 1.72 -0.07 -0.72 3.01 0.16 -4.86 117.46 116.60 1s0h n PHE 43 Ca 0.04 -3.15 -0.02 0.00 1.01 0.00 0.00 57.45 55.34 1s0h n PHE 43 Cb 0.21 -0.33 0.23 0.00 -0.01 0.00 0.00 39.48 39.58 1s0h n PHE 43 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1s0h h PRO 44 N 2.90 0.69 0.00 -1.08 0.11 -1.76 -2.63 132.00 130.23 1s0h h PRO 44 Ca 0.05 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1s0h h PRO 44 Cb 1.03 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1s0h h PRO 44 CO 0.60 0.67 0.00 -2.39 -0.21 0.00 0.00 178.00 176.68 1s0h n HIS 45 N -4.27 0.00 -4.16 0.65 1.44 -1.26 -4.84 115.22 102.78 1s0h n HIS 45 Ca 0.03 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.40 1s0h n HIS 45 Cb 0.25 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.28 1s0h n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1s0h s PHE 46 N -2.00 3.26 -0.21 -1.40 2.99 -0.99 -5.08 117.98 114.55 1s0h s PHE 46 Ca 0.32 0.22 -0.26 0.00 0.00 0.00 0.00 56.93 57.20 1s0h s PHE 46 Cb 0.15 -1.76 -0.00 0.00 0.00 0.00 0.00 43.02 41.40 1s0h s PHE 46 CO 0.24 0.54 0.91 0.34 -0.00 0.00 0.00 175.22 177.25 1s0h s ASP 47 N -1.46 6.97 0.00 1.36 3.68 -1.26 -4.89 116.67 121.08 1s0h s ASP 47 Ca 0.20 1.21 0.22 0.00 2.13 0.00 0.00 52.55 56.30 1s0h s ASP 47 Cb -0.12 -2.48 0.31 0.00 -1.45 0.00 0.00 42.92 39.18 1s0h s ASP 47 CO 0.10 -0.53 1.30 0.18 0.13 0.00 0.00 175.17 176.35 1s0h n LEU 48 N 5.83 3.16 -4.74 -1.34 4.32 -1.26 -4.50 117.00 118.48 1s0h n LEU 48 Ca 0.07 -1.29 -0.30 0.00 -0.02 0.00 0.00 56.01 54.47 1s0h n LEU 48 Cb 0.47 -0.14 0.21 0.00 -1.62 0.00 0.00 43.42 42.35 1s0h n LEU 48 CO 0.49 0.62 0.73 -0.94 -1.22 0.00 0.00 177.39 177.08 1s0h s SER 49 N -1.62 1.97 -0.01 -1.43 1.04 -1.26 -4.82 113.70 107.58 1s0h s SER 49 Ca 0.32 0.52 0.08 0.00 0.48 0.00 0.00 55.95 57.35 1s0h s SER 49 Cb 0.20 -0.72 0.23 0.00 0.10 0.00 0.00 66.02 65.84 1s0h s SER 49 CO 0.29 -3.46 1.16 1.41 0.98 0.00 0.00 173.24 173.62 1s0h n HIS 50 N -4.30 0.38 -2.56 5.02 -0.00 -1.26 -0.02 115.22 112.48 1s0h n HIS 50 Ca 0.13 -0.18 -0.01 0.00 -0.00 0.00 0.00 57.72 57.66 1s0h n HIS 50 Cb 0.59 -0.03 0.08 0.00 -0.00 0.00 0.00 29.99 30.63 1s0h n HIS 50 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1s0h n GLY 51 N 0.83 0.91 2.90 -1.41 0.00 -1.26 -5.15 105.19 102.01 1s0h n GLY 51 Ca 0.09 -0.10 -0.52 0.00 0.00 0.00 0.00 46.02 45.49 1s0h n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s0h n SER 52 N -0.94 0.74 0.27 1.61 2.88 0.97 -4.86 113.62 114.31 1s0h n SER 52 Ca -0.12 0.93 0.18 0.00 -1.33 0.00 0.00 58.87 58.53 1s0h n SER 52 Cb 0.73 -0.70 0.77 0.00 -0.75 0.00 0.00 64.21 64.27 1s0h n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s0h h ALA 53 N 3.58 1.00 -0.40 -1.46 0.00 -1.88 -0.74 119.26 119.36 1s0h h ALA 53 Ca -0.36 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 1s0h h ALA 53 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1s0h h ALA 53 CO 0.71 0.00 -0.22 1.96 0.00 0.00 0.00 179.25 181.70 1s0h h GLN 54 N 0.00 0.81 -0.31 0.00 4.20 -1.90 -1.49 115.11 116.42 1s0h h GLN 54 Ca 0.00 -0.33 -0.11 0.00 0.06 0.00 0.00 58.65 58.27 1s0h h GLN 54 Cb 0.38 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1s0h h GLN 54 CO 0.00 0.95 -0.23 0.28 -0.67 0.00 0.00 178.83 179.16 1s0h h VAL 55 N 0.70 1.30 -0.80 -0.54 2.07 -1.64 1.28 116.25 118.62 1s0h h VAL 55 Ca 0.10 -1.38 0.13 0.00 0.82 0.00 0.00 66.70 66.37 1s0h h VAL 55 Cb 0.74 1.50 -0.14 0.00 -1.52 0.00 0.00 31.29 31.88 1s0h h VAL 55 CO 0.06 0.44 -0.36 0.50 0.02 0.00 0.00 177.57 178.23 1s0h h LYS 56 N 0.46 -0.08 -0.81 1.57 1.63 -1.19 0.66 116.57 118.81 1s0h h LYS 56 Ca 0.06 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 1s0h h LYS 56 Cb 0.79 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.39 1s0h h LYS 56 CO 0.06 -0.05 0.47 0.00 -3.45 0.00 0.00 179.45 176.48 1s0h h ALA 57 N 1.20 1.04 0.27 5.00 0.00 0.44 -2.85 119.26 124.35 1s0h h ALA 57 Ca 0.29 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1s0h h ALA 57 Cb 0.58 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1s0h h ALA 57 CO -0.84 0.52 -0.13 1.25 0.00 0.00 0.00 179.25 180.05 1s0h h HIS 58 N 1.12 -0.33 -0.48 0.00 -0.00 0.25 -3.06 115.15 112.65 1s0h h HIS 58 Ca 0.29 -0.01 0.14 0.00 -0.00 0.00 0.00 60.37 60.79 1s0h h HIS 58 Cb -0.02 0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 27.48 1s0h h HIS 58 CO -0.00 -0.21 0.83 0.78 -0.00 0.00 0.00 177.93 179.33 1s0h h GLY 59 N -0.86 0.00 0.48 5.26 0.00 -0.77 -1.71 103.07 105.47 1s0h h GLY 59 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.23 1s0h h GLY 59 CO 0.06 0.00 -0.24 1.70 0.00 0.00 0.00 176.54 178.06 1s0h h LYS 60 N 0.00 0.19 -0.54 4.80 3.64 -1.50 0.20 116.57 123.35 1s0h h LYS 60 Ca 0.23 -0.18 0.07 0.00 -1.27 0.00 0.00 60.65 59.49 1s0h h LYS 60 Cb 1.88 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 33.66 1s0h h LYS 60 CO -0.00 0.90 -0.53 0.87 -2.27 0.00 0.00 179.45 178.41 1s0h h LYS 61 N -0.46 -0.29 -0.68 1.90 1.79 -1.23 0.12 116.57 117.73 1s0h h LYS 61 Ca -0.03 0.02 0.10 0.00 -2.18 0.00 0.00 60.65 58.56 1s0h h LYS 61 Cb 0.97 0.06 -0.07 0.00 -1.58 0.00 0.00 32.23 31.61 1s0h h LYS 61 CO 0.05 -0.19 0.31 0.28 -1.08 0.00 0.00 179.45 178.82 1s0h h VAL 62 N -0.30 0.81 0.00 0.50 2.07 -1.46 -0.76 116.25 117.11 1s0h h VAL 62 Ca 0.11 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1s0h h VAL 62 Cb 0.56 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1s0h h VAL 62 CO -0.67 0.10 -0.03 1.23 0.02 0.00 0.00 177.57 178.21 1s0h h GLY 63 N 0.53 0.00 1.11 2.17 0.00 -0.16 -2.39 103.07 104.32 1s0h h GLY 63 Ca 0.34 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.33 1s0h h GLY 63 CO -0.29 0.00 -1.57 -0.55 0.00 0.00 0.00 176.54 174.13 1s0h h ASP 64 N 0.00 0.75 -0.33 0.19 3.32 0.33 -2.55 116.42 118.14 1s0h h ASP 64 Ca -0.00 -0.93 -0.04 0.00 0.02 0.00 0.00 57.03 56.08 1s0h h ASP 64 Cb 0.42 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1s0h h ASP 64 CO 0.00 1.74 0.04 0.00 -1.72 0.00 0.00 179.24 179.30 1s0h h ALA 65 N 0.13 0.44 -0.05 3.45 0.00 -1.10 -1.27 119.26 120.84 1s0h h ALA 65 Ca -0.29 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.45 1s0h h ALA 65 Cb 2.13 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.75 1s0h h ALA 65 CO 0.24 0.15 -0.25 -0.07 0.00 0.00 0.00 179.25 179.31 1s0h h LEU 66 N 0.37 -0.75 -0.11 0.00 3.38 -1.54 0.21 115.31 116.88 1s0h h LEU 66 Ca 0.10 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1s0h h LEU 66 Cb 0.37 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1s0h h LEU 66 CO 0.01 -0.31 0.07 0.74 0.09 0.00 0.00 178.44 179.04 1s0h h THR 67 N -0.36 1.03 -0.68 0.22 2.02 -1.31 -0.86 112.91 112.98 1s0h h THR 67 Ca 0.08 -0.07 0.11 0.00 0.77 0.00 0.00 66.41 67.30 1s0h h THR 67 Cb 0.47 0.88 -0.12 0.00 -1.74 0.00 0.00 68.15 67.63 1s0h h THR 67 CO -0.26 0.03 -0.37 0.25 0.37 0.00 0.00 175.52 175.55 1s0h h LEU 68 N 0.15 -1.29 -1.29 2.58 7.12 -1.14 -2.58 115.31 118.86 1s0h h LEU 68 Ca 0.04 0.25 0.13 0.00 0.13 0.00 0.00 57.88 58.43 1s0h h LEU 68 Cb -0.01 0.64 -0.07 0.00 -0.53 0.00 0.00 40.66 40.69 1s0h h LEU 68 CO -0.01 -0.31 0.56 0.00 -0.13 0.00 0.00 178.44 178.56 1s0h h ALA 69 N 1.01 1.80 -0.98 1.25 0.00 0.87 0.26 119.26 123.46 1s0h h ALA 69 Ca 0.25 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1s0h h ALA 69 Cb 0.56 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1s0h h ALA 69 CO -0.75 -0.02 0.64 0.28 0.00 0.00 0.00 179.25 179.40 1s0h h VAL 70 N 0.72 1.26 -0.91 0.00 2.07 -1.05 0.69 116.25 119.02 1s0h h VAL 70 Ca 0.43 -0.48 0.15 0.00 0.82 0.00 0.00 66.70 67.61 1s0h h VAL 70 Cb 0.63 -0.18 -0.09 0.00 -1.52 0.00 0.00 31.29 30.12 1s0h h VAL 70 CO -0.19 0.25 0.51 1.23 0.02 0.00 0.00 177.57 179.40 1s0h h GLY 71 N 1.34 1.51 -2.17 2.17 0.00 -0.32 -3.16 103.07 102.45 1s0h h GLY 71 Ca 0.36 -0.31 -0.23 0.00 0.00 0.00 0.00 47.33 47.15 1s0h h GLY 71 CO -0.08 0.00 -0.44 1.42 0.00 0.00 0.00 176.54 177.45 1s0h n HIS 72 N -4.79 1.18 0.09 5.60 -0.00 0.20 -4.78 115.22 112.72 1s0h n HIS 72 Ca 0.19 -1.80 0.18 0.00 -0.00 0.00 0.00 57.72 56.28 1s0h n HIS 72 Cb 0.44 -0.38 0.72 0.00 -0.00 0.00 0.00 29.99 30.77 1s0h n HIS 72 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1s0h h LEU 73 N 1.38 0.00 0.00 2.41 3.38 -1.44 0.90 115.31 121.94 1s0h h LEU 73 Ca 0.19 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.96 1s0h h LEU 73 Cb 1.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.03 1s0h h LEU 73 CO 0.38 0.00 -1.05 0.44 0.09 0.00 0.00 178.44 178.30 1s0h h ASP 74 N 0.00 0.00 -2.25 -0.43 3.45 -1.88 -3.37 116.42 111.93 1s0h h ASP 74 Ca 0.18 0.00 -0.59 0.00 0.43 0.00 0.00 57.03 57.05 1s0h h ASP 74 Cb 0.77 0.00 -0.40 0.00 -0.56 0.00 0.00 39.33 39.13 1s0h h ASP 74 CO -0.00 0.83 -0.84 -0.67 -1.57 0.00 0.00 179.24 176.99 1s0h n ASP 75 N -3.21 1.75 0.11 6.45 4.64 0.31 -4.92 116.55 121.68 1s0h n ASP 75 Ca -0.04 -2.99 -0.17 0.00 -1.38 0.00 0.00 54.79 50.21 1s0h n ASP 75 Cb 0.90 -0.65 -0.13 0.00 -1.04 0.00 0.00 41.12 40.19 1s0h n ASP 75 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 1s0h h LEU 76 N 4.45 0.53 -2.01 -2.67 3.38 -1.62 -2.62 115.31 114.74 1s0h h LEU 76 Ca 0.15 -0.54 0.06 0.00 0.09 0.00 0.00 57.88 57.64 1s0h h LEU 76 Cb 0.79 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1s0h h LEU 76 CO 0.62 1.41 0.15 -0.65 0.09 0.00 0.00 178.44 180.06 1s0h h PRO 77 N 0.11 0.00 0.00 1.13 0.11 -1.91 -2.52 132.00 128.93 1s0h h PRO 77 Ca -0.15 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.96 1s0h h PRO 77 Cb 1.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.07 1s0h h PRO 77 CO 0.21 0.00 -0.00 0.78 -0.21 0.00 0.00 178.00 178.78 1s0h h GLY 78 N 0.00 -0.00 -0.11 -0.55 0.00 -1.91 -3.15 103.07 97.34 1s0h h GLY 78 Ca 0.10 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.64 1s0h h GLY 78 CO -0.00 -0.00 0.44 0.00 0.00 0.00 0.00 176.54 176.98 1s0h h ALA 79 N -0.12 1.49 -0.63 3.60 0.00 -1.27 -2.46 119.26 119.87 1s0h h ALA 79 Ca -0.00 0.14 -0.28 0.00 0.00 0.00 0.00 54.91 54.77 1s0h h ALA 79 Cb 0.86 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.57 1s0h h ALA 79 CO 0.00 -0.28 0.24 1.28 0.00 0.00 0.00 179.25 180.48 1s0h n LEU 80 N -4.98 5.33 0.31 0.00 4.77 -0.97 -4.80 117.00 116.66 1s0h n LEU 80 Ca 0.22 -3.55 -0.12 0.00 -0.03 0.00 0.00 56.01 52.53 1s0h n LEU 80 Cb 0.64 -0.71 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 1s0h n LEU 80 CO 0.15 1.05 0.42 -1.28 -1.33 0.00 0.00 177.39 176.40 1s0h h SER 81 N 1.38 -0.69 -0.98 -1.43 0.87 -1.39 0.80 113.55 112.11 1s0h h SER 81 Ca 0.35 0.02 0.33 0.00 -1.23 0.00 0.00 61.79 61.26 1s0h h SER 81 Cb 2.17 0.18 -0.17 0.00 -0.44 0.00 0.00 62.40 64.13 1s0h h SER 81 CO 0.67 -0.41 0.34 -0.55 -0.53 0.00 0.00 176.83 176.36 1s0h h ASN 82 N -0.97 0.06 0.96 6.23 -1.07 -1.87 -2.69 115.58 116.23 1s0h h ASN 82 Ca -0.08 0.24 0.00 0.00 0.07 0.00 0.00 56.30 56.53 1s0h h ASN 82 Cb 0.62 0.31 0.00 0.00 -2.07 0.00 0.00 38.32 37.19 1s0h h ASN 82 CO 0.14 -0.32 -0.98 -0.11 0.07 0.00 0.00 177.43 176.23 1s0h n LEU 83 N -5.29 0.83 -0.14 6.14 7.94 -1.09 -2.49 117.00 122.90 1s0h n LEU 83 Ca 0.30 0.31 -0.11 0.00 -1.11 0.00 0.00 56.01 55.40 1s0h n LEU 83 Cb 0.98 -0.07 -0.02 0.00 0.53 0.00 0.00 43.42 44.85 1s0h n LEU 83 CO 0.01 -0.17 0.77 -1.28 -1.11 0.00 0.00 177.39 175.61 1s0h h SER 84 N 0.00 0.71 0.27 1.96 0.87 -0.52 -2.70 113.55 114.13 1s0h h SER 84 Ca 0.00 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1s0h h SER 84 Cb 0.97 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.70 1s0h h SER 84 CO 0.00 0.86 -0.48 -0.78 -0.53 0.00 0.00 176.83 175.90 1s0h h ASP 85 N 0.54 -1.38 -0.77 6.23 3.58 -1.54 0.55 116.42 123.63 1s0h h ASP 85 Ca 0.11 0.13 0.08 0.00 0.42 0.00 0.00 57.03 57.77 1s0h h ASP 85 Cb 0.51 0.49 -0.06 0.00 1.72 0.00 0.00 39.33 41.98 1s0h h ASP 85 CO 0.02 -0.57 0.44 0.25 -2.88 0.00 0.00 179.24 176.50 1s0h h LEU 86 N -0.81 0.65 0.17 2.28 5.85 -1.47 0.42 115.31 122.40 1s0h h LEU 86 Ca -0.02 0.04 -0.31 0.00 0.84 0.00 0.00 57.88 58.43 1s0h h LEU 86 Cb 0.77 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.72 1s0h h LEU 86 CO -0.18 0.40 -1.50 0.45 -0.34 0.00 0.00 178.44 177.26 1s0h h HIS 87 N 0.78 0.67 0.15 1.25 3.86 -1.47 -2.67 115.15 117.72 1s0h h HIS 87 Ca 0.36 -0.49 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 1s0h h HIS 87 Cb 0.26 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1s0h h HIS 87 CO -0.06 1.58 -0.07 0.00 0.86 0.00 0.00 177.93 180.24 1s0h h ALA 88 N 0.07 -0.43 0.36 2.45 0.00 -0.91 -1.30 119.26 119.50 1s0h h ALA 88 Ca -0.30 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1s0h h ALA 88 Cb 1.96 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1s0h h ALA 88 CO 0.16 -0.41 -0.17 1.25 0.00 0.00 0.00 179.25 180.07 1s0h h HIS 89 N -0.46 -0.44 0.26 0.00 -0.00 -0.30 -2.92 115.15 111.29 1s0h h HIS 89 Ca -0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.33 1s0h h HIS 89 Cb 0.16 0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.72 1s0h h HIS 89 CO 0.05 -0.28 -0.12 -0.22 -0.00 0.00 0.00 177.93 177.36 1s0h h LYS 90 N -1.11 -0.33 0.00 5.26 3.64 -1.43 -3.38 116.57 119.21 1s0h h LYS 90 Ca -0.05 0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 1s0h h LYS 90 Cb 0.37 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1s0h h LYS 90 CO 0.08 -0.07 -1.41 1.28 -2.27 0.00 0.00 179.45 177.05 1s0h n LEU 91 N -5.15 0.75 -3.55 5.20 4.77 -1.01 -5.00 117.00 113.02 1s0h n LEU 91 Ca -0.09 0.32 -0.30 0.00 -0.03 0.00 0.00 56.01 55.90 1s0h n LEU 91 Cb 0.22 0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.39 1s0h n LEU 91 CO 0.33 0.07 -0.22 0.54 -1.33 0.00 0.00 177.39 176.79 1s0h n ARG 92 N -2.78 -1.80 -2.66 3.23 1.74 -0.89 -4.90 116.66 108.59 1s0h n ARG 92 Ca -0.08 1.24 -0.43 0.00 -0.77 0.00 0.00 57.85 57.81 1s0h n ARG 92 Cb 0.77 -2.53 -0.02 0.00 -1.02 0.00 0.00 32.46 29.66 1s0h n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1s0h s VAL 93 N -2.15 4.67 -0.01 1.55 1.01 -0.54 -4.99 120.40 119.94 1s0h s VAL 93 Ca 0.22 2.00 -0.34 0.00 0.00 0.00 0.00 61.98 63.86 1s0h s VAL 93 Cb -0.03 -4.31 -0.12 0.00 0.00 0.00 0.00 36.38 31.92 1s0h s VAL 93 CO 0.87 -0.20 1.82 -0.67 0.00 0.00 0.00 175.10 176.92 1s0h n ASP 94 N 6.35 3.44 0.30 3.32 -0.08 -1.26 -4.78 116.55 123.84 1s0h n ASP 94 Ca 0.12 0.99 0.17 0.00 -1.51 0.00 0.00 54.79 54.56 1s0h n ASP 94 Cb 0.46 -1.40 0.90 0.00 2.34 0.00 0.00 41.12 43.42 1s0h n ASP 94 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1s0h h PRO 95 N 8.52 0.00 0.00 -0.67 0.13 -1.99 -1.43 132.00 136.56 1s0h h PRO 95 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 1s0h h PRO 95 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1s0h h PRO 95 CO 0.93 0.00 -0.22 0.28 -0.23 0.00 0.00 178.00 178.76 1s0h h VAL 96 N 0.00 0.52 0.00 1.56 2.07 -2.02 -0.87 116.25 117.51 1s0h h VAL 96 Ca 0.00 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1s0h h VAL 96 Cb 0.33 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1s0h h VAL 96 CO 0.00 0.22 0.00 0.59 0.02 0.00 0.00 177.57 178.40 1s0h n ASN 97 N -3.36 0.15 0.21 0.57 3.02 -0.54 -2.06 115.26 113.25 1s0h n ASN 97 Ca 0.00 0.55 0.12 0.00 -0.03 0.00 0.00 54.58 55.22 1s0h n ASN 97 Cb 0.44 -0.57 0.19 0.00 -0.61 0.00 0.00 39.78 39.23 1s0h n ASN 97 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1s0h h PHE 98 N 0.00 0.00 0.00 3.10 0.04 -1.33 -2.12 116.94 116.63 1s0h h PHE 98 Ca 0.00 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 1s0h h PHE 98 Cb 0.18 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1s0h h PHE 98 CO 0.00 0.00 -0.73 0.87 -0.60 0.00 0.00 178.31 177.85 1s0h h LYS 99 N 0.00 0.00 0.10 1.51 1.57 -1.49 0.34 116.57 118.60 1s0h h LYS 99 Ca 0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 1s0h h LYS 99 Cb 0.97 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 1s0h h LYS 99 CO 0.00 0.31 -1.88 1.28 -0.57 0.00 0.00 179.45 178.59 1s0h n LEU 100 N -3.05 2.50 0.06 2.94 4.77 -1.23 -2.99 117.00 120.00 1s0h n LEU 100 Ca -0.01 0.24 -0.11 0.00 -0.03 0.00 0.00 56.01 56.10 1s0h n LEU 100 Cb 0.71 -1.09 -0.05 0.00 -2.33 0.00 0.00 43.42 40.67 1s0h n LEU 100 CO 0.40 0.75 0.70 0.25 -1.33 0.00 0.00 177.39 178.17 1s0h h LEU 101 N -0.14 -0.70 -0.82 2.23 5.85 -1.36 -1.49 115.31 118.88 1s0h h LEU 101 Ca -0.42 0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.53 1s0h h LEU 101 Cb 1.89 0.29 -0.14 0.00 0.37 0.00 0.00 40.66 43.07 1s0h h LEU 101 CO 0.02 -0.31 -0.38 0.28 -0.34 0.00 0.00 178.44 177.72 1s0h h SER 102 N -0.37 -1.37 0.89 1.25 0.02 -0.98 -1.97 113.55 111.03 1s0h h SER 102 Ca 0.06 0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 61.24 1s0h h SER 102 Cb 0.45 0.69 0.01 0.00 0.14 0.00 0.00 62.40 63.70 1s0h h SER 102 CO -0.21 -0.30 -0.43 -0.74 -1.14 0.00 0.00 176.83 174.01 1s0h h HIS 103 N -0.07 -1.11 0.00 3.45 -0.00 -1.38 -0.61 115.15 115.42 1s0h h HIS 103 Ca 0.29 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.63 1s0h h HIS 103 Cb 0.57 0.37 0.00 0.00 -0.00 0.00 0.00 27.41 28.35 1s0h h HIS 103 CO -0.78 -0.69 0.69 0.00 -0.00 0.00 0.00 177.93 177.14 1s0h n LEU 105 N -2.03 1.37 -0.23 0.00 -0.00 -0.33 -2.68 117.00 113.09 1s0h n LEU 105 Ca -0.00 0.11 -0.08 0.00 -0.00 0.00 0.00 56.01 56.04 1s0h n LEU 105 Cb 0.69 -0.19 0.03 0.00 -0.00 0.00 0.00 43.42 43.96 1s0h n LEU 105 CO 0.02 0.63 0.88 -0.07 -0.00 0.00 0.00 177.39 178.85 1s0h h LEU 106 N 0.01 1.06 -1.00 -1.96 3.38 0.08 -2.20 115.31 114.69 1s0h h LEU 106 Ca -0.47 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.23 1s0h h LEU 106 Cb 2.07 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 42.50 1s0h h LEU 106 CO 0.03 1.06 0.56 0.28 0.09 0.00 0.00 178.44 180.46 1s0h h SER 107 N 1.01 1.11 -0.12 -0.43 0.02 -0.45 -1.45 113.55 113.24 1s0h h SER 107 Ca 0.20 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1s0h h SER 107 Cb 0.47 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1s0h h SER 107 CO 0.02 0.84 0.03 0.74 -1.14 0.00 0.00 176.83 177.32 1s0h h THR 108 N 1.27 1.19 0.07 -2.27 2.02 -1.45 -2.46 112.91 111.28 1s0h h THR 108 Ca 0.33 -0.58 0.02 0.00 0.77 0.00 0.00 66.41 66.96 1s0h h THR 108 Cb -0.07 1.34 -0.05 0.00 -1.74 0.00 0.00 68.15 67.64 1s0h h THR 108 CO -0.06 0.17 -0.38 -0.07 0.37 0.00 0.00 175.52 175.54 1s0h h LEU 109 N 0.00 -1.14 -1.96 2.58 4.07 -1.17 -0.43 115.31 117.27 1s0h h LEU 109 Ca 0.04 0.13 0.24 0.00 0.08 0.00 0.00 57.88 58.37 1s0h h LEU 109 Cb 0.24 0.44 -0.03 0.00 1.08 0.00 0.00 40.66 42.38 1s0h h LEU 109 CO -0.00 -0.45 0.64 0.00 -1.08 0.00 0.00 178.44 177.55 1s0h h ALA 110 N -0.02 2.73 -0.24 1.53 0.00 -1.27 0.34 119.26 122.34 1s0h h ALA 110 Ca 0.04 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1s0h h ALA 110 Cb 0.64 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1s0h h ALA 110 CO -0.25 -1.06 -0.51 0.28 0.00 0.00 0.00 179.25 177.71 1s0h h VAL 111 N 0.00 1.30 -0.01 0.00 2.07 -0.58 -3.34 116.25 115.70 1s0h h VAL 111 Ca 0.39 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1s0h h VAL 111 Cb 1.67 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1s0h h VAL 111 CO -0.00 0.54 -0.49 1.41 0.02 0.00 0.00 177.57 179.05 1s0h n HIS 112 N -3.99 0.00 -2.77 1.57 -0.00 -0.62 -4.49 115.22 104.92 1s0h n HIS 112 Ca -0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.59 1s0h n HIS 112 Cb 0.59 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.63 1s0h n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1s0h n LEU 113 N -0.47 -0.04 0.13 2.41 4.77 0.01 -4.94 117.00 118.88 1s0h n LEU 113 Ca 0.06 -3.86 0.02 0.00 -0.03 0.00 0.00 56.01 52.21 1s0h n LEU 113 Cb 0.34 0.42 0.02 0.00 -2.33 0.00 0.00 43.42 41.87 1s0h n LEU 113 CO 0.26 1.84 0.43 1.55 -1.33 0.00 0.00 177.39 180.14 1s0h h PRO 114 N 2.71 0.00 -0.21 3.23 0.14 -1.77 -0.70 132.00 135.41 1s0h h PRO 114 Ca -0.12 0.00 -0.20 0.00 0.14 0.00 0.00 66.00 65.83 1s0h h PRO 114 Cb 1.17 0.00 0.01 0.00 0.14 0.00 0.00 31.00 32.32 1s0h h PRO 114 CO 0.30 0.50 -0.63 -0.91 0.14 0.00 0.00 178.00 177.40 1s0h h ASN 115 N 0.00 0.92 0.99 1.44 2.35 -1.92 -3.33 115.58 116.03 1s0h h ASN 115 Ca -0.01 -0.59 -0.16 0.00 -0.55 0.00 0.00 56.30 54.99 1s0h h ASN 115 Cb 1.40 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 39.48 1s0h h ASN 115 CO 0.07 1.34 -1.08 0.44 -1.65 0.00 0.00 177.43 176.54 1s0h h ASP 116 N 0.54 0.00 0.00 5.81 5.19 -1.91 -3.40 116.42 122.65 1s0h h ASP 116 Ca -0.02 0.00 -0.64 0.00 -0.62 0.00 0.00 57.03 55.75 1s0h h ASP 116 Cb 1.25 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.77 1s0h h ASP 116 CO 0.14 0.62 3.27 0.33 -3.12 0.00 0.00 179.24 180.48 1s0h n PHE 117 N -3.06 2.59 -1.79 4.55 7.35 -0.29 -4.81 117.46 122.00 1s0h n PHE 117 Ca -0.05 -2.76 -0.30 0.00 -0.76 0.00 0.00 57.45 53.58 1s0h n PHE 117 Cb 0.83 -2.32 0.05 0.00 0.35 0.00 0.00 39.48 38.39 1s0h n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1s0h s THR 118 N 3.00 3.58 0.12 -2.13 -4.23 -1.26 -4.71 115.64 110.01 1s0h s THR 118 Ca 0.56 0.51 -0.26 0.00 -1.18 0.00 0.00 61.69 61.32 1s0h s THR 118 Cb 0.15 -3.44 -0.05 0.00 1.34 0.00 0.00 72.50 70.51 1s0h s THR 118 CO -0.05 -0.67 1.63 -0.65 -0.54 0.00 0.00 174.62 174.34 1s0h h PRO 119 N -0.71 -0.41 -0.89 3.99 0.11 -1.97 0.13 132.00 132.24 1s0h h PRO 119 Ca -0.45 0.03 0.28 0.00 0.11 0.00 0.00 66.00 65.97 1s0h h PRO 119 Cb 1.25 0.09 -0.17 0.00 0.11 0.00 0.00 31.00 32.28 1s0h h PRO 119 CO 0.62 -0.27 0.15 0.00 -0.21 0.00 0.00 178.00 178.29 1s0h n ALA 120 N -2.72 0.59 0.07 -0.75 0.00 -1.26 0.53 120.51 116.97 1s0h n ALA 120 Ca -0.05 0.95 0.00 0.00 0.00 0.00 0.00 53.44 54.34 1s0h n ALA 120 Cb 0.31 -0.76 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 1s0h n ALA 120 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1s0h h VAL 121 N 0.00 0.74 -0.21 0.00 2.07 -1.75 -2.96 116.25 114.13 1s0h h VAL 121 Ca 0.61 -2.21 -0.05 0.00 0.82 0.00 0.00 66.70 65.86 1s0h h VAL 121 Cb 1.38 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 33.39 1s0h h VAL 121 CO -0.80 0.42 -0.06 -0.74 0.02 0.00 0.00 177.57 176.41 1s0h h HIS 122 N 0.00 0.47 -0.10 1.57 6.17 0.28 -3.05 115.15 120.49 1s0h h HIS 122 Ca -0.10 -0.10 -0.14 0.00 0.71 0.00 0.00 60.37 60.74 1s0h h HIS 122 Cb 1.54 -0.11 0.01 0.00 2.52 0.00 0.00 27.41 31.36 1s0h h HIS 122 CO 0.00 0.67 -0.49 0.00 0.71 0.00 0.00 177.93 178.82 1s0h h ALA 123 N 0.74 0.20 -1.00 5.26 0.00 -1.23 -2.62 119.26 120.60 1s0h h ALA 123 Ca 0.05 -0.50 0.17 0.00 0.00 0.00 0.00 54.91 54.64 1s0h h ALA 123 Cb 0.52 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.20 1s0h h ALA 123 CO 0.02 0.37 0.62 0.77 0.00 0.00 0.00 179.25 181.03 1s0h h SER 124 N 0.10 0.82 1.13 0.00 0.02 -1.60 -1.74 113.55 112.29 1s0h h SER 124 Ca -0.03 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1s0h h SER 124 Cb 1.13 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1s0h h SER 124 CO 0.10 0.34 0.00 -0.07 -1.14 0.00 0.00 176.83 176.06 1s0h h LEU 125 N 0.83 0.00 0.01 5.07 4.07 -1.39 0.16 115.31 124.06 1s0h h LEU 125 Ca 0.56 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.48 1s0h h LEU 125 Cb 0.79 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.53 1s0h h LEU 125 CO -0.35 0.00 -0.15 -0.78 -1.08 0.00 0.00 178.44 176.08 1s0h h ASP 126 N 0.00 0.11 -0.24 -0.43 1.82 -0.97 -1.64 116.42 115.08 1s0h h ASP 126 Ca 0.00 -0.88 -0.01 0.00 -0.39 0.00 0.00 57.03 55.76 1s0h h ASP 126 Cb 0.57 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.53 1s0h h ASP 126 CO 0.00 0.98 0.14 0.11 -1.61 0.00 0.00 179.24 178.85 1s0h h LYS 127 N -0.74 0.35 -0.05 0.28 1.79 -0.67 0.52 116.57 118.06 1s0h h LYS 127 Ca -0.02 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 1s0h h LYS 127 Cb 1.01 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.59 1s0h h LYS 127 CO 0.03 0.27 -0.06 0.35 -1.08 0.00 0.00 179.45 178.96 1s0h h PHE 128 N 0.36 0.16 0.00 -1.35 3.57 -0.67 1.79 116.94 120.79 1s0h h PHE 128 Ca 0.09 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 1s0h h PHE 128 Cb 0.02 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1s0h h PHE 128 CO 0.00 0.60 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.36 1s0h h LEU 129 N -0.33 0.00 0.03 0.59 3.38 -1.07 0.77 115.31 118.68 1s0h h LEU 129 Ca 0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1s0h h LEU 129 Cb 0.58 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.34 1s0h h LEU 129 CO 0.01 0.25 -0.60 0.28 0.09 0.00 0.00 178.44 178.47 1s0h h SER 130 N 0.00 0.47 -0.77 -0.43 0.02 1.00 -3.02 113.55 110.82 1s0h h SER 130 Ca -0.00 -0.81 0.07 0.00 -0.84 0.00 0.00 61.79 60.21 1s0h h SER 130 Cb 0.82 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 63.15 1s0h h SER 130 CO 0.03 1.23 0.44 0.28 -1.14 0.00 0.00 176.83 177.68 1s0h h SER 131 N -0.22 0.66 -0.84 3.07 0.02 0.33 -0.27 113.55 116.30 1s0h h SER 131 Ca -0.08 0.03 0.18 0.00 -0.84 0.00 0.00 61.79 61.08 1s0h h SER 131 Cb 1.35 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 63.73 1s0h h SER 131 CO 0.12 0.41 0.56 0.58 -1.14 0.00 0.00 176.83 177.36 1s0h h VAL 132 N 0.79 0.72 0.00 2.27 2.07 0.49 -2.34 116.25 120.26 1s0h h VAL 132 Ca 0.35 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.69 1s0h h VAL 132 Cb 0.23 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1s0h h VAL 132 CO -0.20 0.07 -0.66 0.28 0.02 0.00 0.00 177.57 177.08 1s0h h SER 133 N 0.40 0.00 0.29 0.57 0.02 -0.92 -2.49 113.55 111.42 1s0h h SER 133 Ca 0.43 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.36 1s0h h SER 133 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1s0h h SER 133 CO -0.15 0.18 -0.14 0.74 -1.14 0.00 0.00 176.83 176.33 1s0h h THR 134 N 0.00 0.57 -1.41 -2.27 2.02 -1.13 -0.87 112.91 109.82 1s0h h THR 134 Ca -0.03 -0.81 0.47 0.00 0.77 0.00 0.00 66.41 66.81 1s0h h THR 134 Cb 1.16 0.91 -0.12 0.00 -1.74 0.00 0.00 68.15 68.36 1s0h h THR 134 CO 0.02 0.13 0.94 0.52 0.37 0.00 0.00 175.52 177.49 1s0h n VAL 135 N -5.06 -0.19 1.29 3.16 0.31 -1.14 0.14 118.33 116.85 1s0h n VAL 135 Ca -0.08 1.64 0.13 0.00 -0.01 0.00 0.00 64.34 66.01 1s0h n VAL 135 Cb 0.26 -2.69 0.37 0.00 -0.91 0.00 0.00 33.84 30.87 1s0h n VAL 135 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1s0h n LEU 136 N -4.43 1.42 -0.05 7.52 4.77 -0.51 -3.28 117.00 122.45 1s0h n LEU 136 Ca 0.39 -0.44 0.01 0.00 -0.03 0.00 0.00 56.01 55.93 1s0h n LEU 136 Cb 1.56 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 42.61 1s0h n LEU 136 CO 0.22 0.25 0.38 0.35 -1.33 0.00 0.00 177.39 177.26 1s0h n THR 137 N -0.16 0.58 0.19 -5.08 -2.24 0.60 -4.04 114.28 104.13 1s0h n THR 137 Ca 0.14 -0.61 0.04 0.00 -2.27 0.00 0.00 64.05 61.35 1s0h n THR 137 Cb 0.38 0.64 0.39 0.00 -2.10 0.00 0.00 70.33 69.65 1s0h n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1s0h h SER 138 N 0.00 0.00 0.00 3.42 4.64 0.13 -1.02 113.55 120.72 1s0h h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s0h h SER 138 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1s0h h SER 138 CO 0.00 0.34 0.00 1.17 -0.87 0.00 0.00 176.83 177.47 1s0h n LYS 139 N -4.02 0.50 -0.05 4.77 0.00 -1.26 -1.86 118.16 116.25 1s0h n LYS 139 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.23 1s0h n LYS 139 Cb 0.39 -1.12 -0.02 0.00 0.00 0.00 0.00 35.03 34.29 1s0h n LYS 139 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1s0h n TYR 140 N -0.62 0.00 0.00 5.64 0.53 -0.40 -4.79 117.16 117.53 1s0h n TYR 140 Ca 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.91 1s0h n TYR 140 Cb 0.01 -0.33 0.00 0.00 -1.03 0.00 0.00 39.34 37.99 1s0h n TYR 140 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71