#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kkg s GLN 28 N 0.00 4.34 0.58 1.61 0.74 -1.26 -4.97 119.66 120.69 3kkg s GLN 28 Ca 0.00 2.01 -0.17 0.00 0.05 0.00 0.00 55.36 57.25 3kkg s GLN 28 Cb 0.00 -3.29 -0.04 0.00 1.10 0.00 0.00 33.01 30.78 3kkg s GLN 28 CO 0.00 -0.42 1.08 -0.51 -0.55 0.00 0.00 175.29 174.89 3kkg s ASP 29 N 1.16 5.75 0.37 6.67 1.01 -1.26 -4.98 116.67 125.39 3kkg s ASP 29 Ca 0.63 1.94 -0.28 0.00 0.71 0.00 0.00 52.55 55.56 3kkg s ASP 29 Cb -0.35 -2.55 -0.11 0.00 1.01 0.00 0.00 42.92 40.92 3kkg s ASP 29 CO 0.30 -1.19 1.50 0.54 0.21 0.00 0.00 175.17 176.53 3kkg n ARG 30 N -1.75 2.69 -1.15 8.23 1.74 -1.26 -5.00 116.66 120.16 3kkg n ARG 30 Ca 0.10 0.94 -0.30 0.00 -0.77 0.00 0.00 57.85 57.82 3kkg n ARG 30 Cb 0.52 -2.68 0.14 0.00 -1.02 0.00 0.00 32.46 29.42 3kkg n ARG 30 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kkg s SER 31 N -0.05 3.49 0.25 0.55 1.04 -1.26 -4.74 113.70 112.98 3kkg s SER 31 Ca 0.55 1.59 -0.03 0.00 0.48 0.00 0.00 55.95 58.54 3kkg s SER 31 Cb -0.48 -2.26 0.46 0.00 0.10 0.00 0.00 66.02 63.84 3kkg s SER 31 CO 0.62 -2.64 1.78 -0.65 0.98 0.00 0.00 173.24 173.32 3kkg h PRO 32 N -1.55 0.64 -0.37 4.02 0.11 -1.99 0.32 132.00 133.17 3kkg h PRO 32 Ca -0.49 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 3kkg h PRO 32 Cb 1.28 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3kkg h PRO 32 CO 0.53 0.42 -0.16 0.82 -0.21 0.00 0.00 178.00 179.40 3kkg h ILE 33 N 0.66 1.28 -0.21 4.15 2.04 -1.97 -1.64 117.51 121.82 3kkg h ILE 33 Ca 0.42 -1.27 0.01 0.00 1.00 0.00 0.00 64.86 65.03 3kkg h ILE 33 Cb 0.53 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 3kkg h ILE 33 CO -0.32 0.42 0.10 -0.33 0.00 0.00 0.00 178.15 178.02 3kkg h GLU 34 N 0.55 0.21 -0.70 2.37 5.08 -1.65 0.14 114.58 120.58 3kkg h GLU 34 Ca 0.08 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3kkg h GLU 34 Cb 0.69 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 3kkg h GLU 34 CO 0.05 0.14 0.21 0.00 -1.00 0.00 0.00 179.01 178.41 3kkg h THR 35 N 0.22 1.25 -0.38 1.13 1.03 -0.90 -0.69 112.91 114.57 3kkg h THR 35 Ca 0.08 -0.88 -0.08 0.00 -0.01 0.00 0.00 66.41 65.52 3kkg h THR 35 Cb 0.02 0.49 -0.02 0.00 -1.07 0.00 0.00 68.15 67.57 3kkg h THR 35 CO -0.06 0.34 -0.11 -0.61 -0.01 0.00 0.00 175.52 175.07 3kkg h GLN 36 N 1.03 0.67 -0.49 0.00 5.75 -1.04 -0.37 115.11 120.66 3kkg h GLN 36 Ca 0.23 -0.21 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3kkg h GLN 36 Cb 0.30 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 3kkg h GLN 36 CO -0.01 0.76 0.29 -0.91 -2.65 0.00 0.00 178.83 176.31 3kkg h ASN 37 N 0.61 0.59 -0.28 -0.69 2.35 -0.29 -0.39 115.58 117.47 3kkg h ASN 37 Ca 0.11 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3kkg h ASN 37 Cb 0.55 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 3kkg h ASN 37 CO 0.03 0.48 0.13 0.58 -1.65 0.00 0.00 177.43 177.01 3kkg h VAL 38 N 0.65 1.16 -0.52 2.81 2.07 -0.77 -0.97 116.25 120.68 3kkg h VAL 38 Ca 0.17 -0.46 0.04 0.00 0.82 0.00 0.00 66.70 67.28 3kkg h VAL 38 Cb 0.01 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3kkg h VAL 38 CO -0.03 0.16 0.27 -0.33 0.02 0.00 0.00 177.57 177.66 3kkg h GLU 39 N 0.32 0.51 -0.19 1.57 5.08 -0.75 0.89 114.58 122.01 3kkg h GLU 39 Ca 0.10 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3kkg h GLU 39 Cb 0.14 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3kkg h GLU 39 CO -0.01 0.34 0.11 1.15 -1.00 0.00 0.00 179.01 179.60 3kkg h THR 40 N 0.53 1.10 -0.65 1.13 2.02 -0.95 -3.00 112.91 113.08 3kkg h THR 40 Ca 0.22 -0.26 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 3kkg h THR 40 Cb 0.11 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 3kkg h THR 40 CO -0.15 0.09 0.13 0.58 0.37 0.00 0.00 175.52 176.55 3kkg h VAL 41 N 0.21 1.26 0.00 3.16 2.07 -0.86 -2.98 116.25 119.11 3kkg h VAL 41 Ca 0.07 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 3kkg h VAL 41 Cb 0.06 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3kkg h VAL 41 CO -0.01 0.37 -0.09 -0.07 0.02 0.00 0.00 177.57 177.78 3kkg h LEU 42 N 0.99 0.00 -2.08 2.57 3.38 -0.70 -0.23 115.31 119.23 3kkg h LEU 42 Ca 0.20 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.22 3kkg h LEU 42 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3kkg h LEU 42 CO 0.01 0.09 0.12 0.03 0.09 0.00 0.00 178.44 178.78 3kkg h ARG 43 N 0.00 0.00 0.00 1.13 3.08 -1.39 -1.25 114.38 115.95 3kkg h ARG 43 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kkg h ARG 43 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3kkg h ARG 43 CO 0.01 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.19 3kkg n LEU 44 N -4.32 0.12 -0.88 3.04 4.77 -0.10 -0.63 117.00 119.00 3kkg n LEU 44 Ca 0.01 0.53 0.10 0.00 -0.03 0.00 0.00 56.01 56.61 3kkg n LEU 44 Cb 0.25 -0.51 0.12 0.00 -2.33 0.00 0.00 43.42 40.95 3kkg n LEU 44 CO 0.33 -0.27 0.60 0.49 -1.33 0.00 0.00 177.39 177.22 3kkg n PHE 45 N -1.63 0.17 0.00 -1.77 3.01 -0.48 -2.38 117.46 114.38 3kkg n PHE 45 Ca 0.04 -0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.40 3kkg n PHE 45 Cb 0.20 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 3kkg n PHE 45 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3kkg n ASP 46 N 1.18 0.00 0.26 4.37 2.03 -0.80 -4.72 116.55 118.87 3kkg n ASP 46 Ca 0.14 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.57 3kkg n ASP 46 Cb 0.52 0.00 0.72 0.00 -0.72 0.00 0.00 41.12 41.64 3kkg n ASP 46 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3kkg h GLU 47 N 0.00 0.00 -0.69 -0.67 9.09 -1.78 -2.40 114.58 118.13 3kkg h GLU 47 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3kkg h GLU 47 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3kkg h GLU 47 CO 0.00 0.11 0.00 0.41 0.05 0.00 0.00 179.01 179.58 3kkg n GLY 48 N -0.81 2.26 3.75 1.06 0.00 0.20 -3.70 105.19 107.95 3kkg n GLY 48 Ca -0.02 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 3kkg n GLY 48 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kkg s TRP 49 N -1.16 3.85 -0.47 1.61 -0.00 -0.90 -4.71 118.94 117.16 3kkg s TRP 49 Ca 0.46 1.83 0.20 0.00 -0.00 0.00 0.00 56.10 58.60 3kkg s TRP 49 Cb 0.25 -3.07 0.95 0.00 -0.00 0.00 0.00 33.47 31.59 3kkg s TRP 49 CO 0.30 0.16 1.62 0.41 -0.00 0.00 0.00 176.95 179.44 3kkg n GLY 50 N 1.67 -1.06 0.04 5.86 0.00 -1.26 -0.18 105.19 110.26 3kkg n GLY 50 Ca -0.00 0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.26 3kkg n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kkg n ALA 51 N -1.73 2.68 -2.95 4.61 0.00 -1.26 -4.84 120.51 117.01 3kkg n ALA 51 Ca 0.01 -0.20 -0.35 0.00 0.00 0.00 0.00 53.44 52.89 3kkg n ALA 51 Cb 0.14 -1.38 -0.11 0.00 0.00 0.00 0.00 19.45 18.10 3kkg n ALA 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3kkg s GLN 52 N -2.71 3.76 0.16 0.00 2.00 0.74 -4.94 119.66 118.68 3kkg s GLN 52 Ca 0.22 -0.44 -0.34 0.00 -2.00 0.00 0.00 55.36 52.80 3kkg s GLN 52 Cb 0.19 -3.18 -0.14 0.00 0.80 0.00 0.00 33.01 30.68 3kkg s GLN 52 CO 0.52 0.08 1.47 -0.25 -0.50 0.00 0.00 175.29 176.61 3kkg n ASP 53 N 4.10 2.64 0.00 6.67 9.92 -1.26 -2.00 116.55 136.61 3kkg n ASP 53 Ca -0.17 1.11 0.00 0.00 -0.53 0.00 0.00 54.79 55.20 3kkg n ASP 53 Cb 0.52 -1.37 0.00 0.00 -0.64 0.00 0.00 41.12 39.63 3kkg n ASP 53 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kkg n GLY 54 N 2.91 0.71 0.27 0.44 0.00 -1.26 -4.97 105.19 103.28 3kkg n GLY 54 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.23 3kkg n GLY 54 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3kkg h TRP 55 N 0.00 0.24 -0.73 1.61 5.08 -1.48 -2.62 115.95 118.05 3kkg h TRP 55 Ca 0.00 -0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.96 3kkg h TRP 55 Cb 0.00 -0.08 -0.04 0.00 -3.00 0.00 0.00 29.16 26.05 3kkg h TRP 55 CO 0.00 0.22 0.44 0.00 -1.28 0.00 0.00 178.44 177.82 3kkg h ARG 56 N 0.25 0.99 0.00 0.12 3.08 -1.88 -0.14 114.38 116.80 3kkg h ARG 56 Ca 0.06 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 3kkg h ARG 56 Cb 0.10 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3kkg h ARG 56 CO -0.00 0.70 -0.35 -0.44 -1.07 0.00 0.00 179.97 178.81 3kkg h ASP 57 N 1.00 0.00 -0.30 7.04 3.32 -1.87 -0.13 116.42 125.47 3kkg h ASP 57 Ca 0.26 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.24 3kkg h ASP 57 Cb -0.03 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3kkg h ASP 57 CO -0.05 0.35 -0.10 0.58 -1.72 0.00 0.00 179.24 178.30 3kkg h VAL 58 N 0.00 1.29 -0.59 -1.35 2.07 -1.17 -1.70 116.25 114.79 3kkg h VAL 58 Ca -0.00 -1.17 0.04 0.00 0.82 0.00 0.00 66.70 66.39 3kkg h VAL 58 Cb 0.64 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 3kkg h VAL 58 CO 0.05 0.37 0.34 -0.50 0.02 0.00 0.00 177.57 177.85 3kkg h TRP 59 N 0.37 0.63 -0.07 1.57 4.06 -0.64 -1.67 115.95 120.20 3kkg h TRP 59 Ca 0.07 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 61.00 3kkg h TRP 59 Cb 0.60 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.56 3kkg h TRP 59 CO 0.05 0.33 -0.15 0.00 -3.56 0.00 0.00 178.44 175.11 3kkg h ARG 60 N 0.66 0.10 0.00 0.49 3.08 -0.77 -2.33 114.38 115.61 3kkg h ARG 60 Ca 0.25 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3kkg h ARG 60 Cb 0.09 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3kkg h ARG 60 CO -0.14 0.26 -0.29 1.05 -1.07 0.00 0.00 179.97 179.78 3kkg h GLU 61 N 0.10 0.00 -0.70 0.04 4.11 -1.01 -3.46 114.58 113.65 3kkg h GLU 61 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 3kkg h GLU 61 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3kkg h GLU 61 CO 0.02 0.00 0.00 2.41 0.07 0.00 0.00 179.01 181.51 3kkg n THR 62 N -2.67 1.17 -4.42 -1.06 -1.04 -0.66 -5.02 114.28 100.58 3kkg n THR 62 Ca 0.03 -1.00 -0.24 0.00 -2.04 0.00 0.00 64.05 60.80 3kkg n THR 62 Cb 0.50 0.38 -0.09 0.00 -1.82 0.00 0.00 70.33 69.29 3kkg n THR 62 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3kkg s THR 64 N -1.26 2.70 0.44 12.58 -4.23 -0.59 -0.61 115.64 124.67 3kkg s THR 64 Ca 0.48 -2.26 0.12 0.00 -1.18 0.00 0.00 61.69 58.85 3kkg s THR 64 Cb 0.27 -2.41 0.30 0.00 1.34 0.00 0.00 72.50 71.99 3kkg s THR 64 CO 0.30 -0.37 2.04 -0.65 -0.54 0.00 0.00 174.62 175.40 3kkg h PRO 65 N 2.26 0.39 -0.61 3.99 0.11 -1.94 -1.72 132.00 134.48 3kkg h PRO 65 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kkg h PRO 65 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3kkg h PRO 65 CO 0.59 0.26 0.00 0.41 -0.21 0.00 0.00 178.00 179.05 3kkg n GLY 66 N -1.51 1.76 3.48 -0.55 0.00 -1.26 -1.34 105.19 105.77 3kkg n GLY 66 Ca 0.05 -0.51 -0.46 0.00 0.00 0.00 0.00 46.02 45.10 3kkg n GLY 66 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kkg n PHE 67 N 0.55 0.25 -5.04 1.61 7.35 -0.65 -4.30 117.46 117.24 3kkg n PHE 67 Ca 0.15 0.85 -0.30 0.00 -0.76 0.00 0.00 57.45 57.40 3kkg n PHE 67 Cb 0.61 -2.08 -0.17 0.00 0.35 0.00 0.00 39.48 38.18 3kkg n PHE 67 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 3kkg s ARG 68 N -1.25 2.65 -0.14 -4.13 0.52 -0.79 -0.35 118.95 115.46 3kkg s ARG 68 Ca 0.62 -0.75 0.01 0.00 -0.52 0.00 0.00 55.73 55.09 3kkg s ARG 68 Cb -0.83 -2.04 -0.00 0.00 0.52 0.00 0.00 34.95 32.60 3kkg s ARG 68 CO 0.58 0.15 -0.17 -1.54 0.02 0.00 0.00 175.30 174.33 3kkg s SER 69 N 0.41 3.59 -0.23 0.23 1.04 -0.55 -4.19 113.70 114.00 3kkg s SER 69 Ca -0.17 -0.46 -0.05 0.00 0.48 0.00 0.00 55.95 55.75 3kkg s SER 69 Cb -0.17 -1.54 -0.01 0.00 0.10 0.00 0.00 66.02 64.40 3kkg s SER 69 CO 0.07 0.12 -0.00 -0.63 0.98 0.00 0.00 173.24 173.78 3kkg s ILE 70 N 0.62 3.68 -0.43 -1.02 1.09 -1.26 -1.04 121.20 122.84 3kkg s ILE 70 Ca -0.09 -0.41 -0.13 0.00 -1.10 0.00 0.00 60.65 58.91 3kkg s ILE 70 Cb -0.16 -2.70 0.05 0.00 -1.06 0.00 0.00 42.46 38.59 3kkg s ILE 70 CO 0.03 0.38 0.31 0.12 -0.10 0.00 0.00 174.94 175.68 3kkg s PHE 71 N 1.52 3.26 0.00 3.97 5.36 -1.26 -1.20 117.98 129.62 3kkg s PHE 71 Ca 0.06 -0.97 0.00 0.00 -0.96 0.00 0.00 56.93 55.06 3kkg s PHE 71 Cb -0.15 -2.86 0.00 0.00 -0.34 0.00 0.00 43.02 39.67 3kkg s PHE 71 CO -0.01 -0.73 0.00 0.72 -1.46 0.00 0.00 175.22 173.74 3kkg n HIS 72 N 5.10 0.00 0.62 10.12 8.25 0.08 -1.11 115.22 138.27 3kkg n HIS 72 Ca -0.12 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.44 3kkg n HIS 72 Cb 0.45 0.00 0.26 0.00 1.12 0.00 0.00 29.99 31.82 3kkg n HIS 72 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3kkg n SER 73 N 4.01 2.54 -4.73 0.41 3.41 -1.26 -4.84 113.62 113.16 3kkg n SER 73 Ca 0.00 -1.92 -0.35 0.00 -0.26 0.00 0.00 58.87 56.34 3kkg n SER 73 Cb 0.00 -0.25 0.07 0.00 -0.26 0.00 0.00 64.21 63.77 3kkg n SER 73 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3kkg s ASN 74 N -1.25 4.52 0.60 4.04 0.02 -0.27 -4.95 114.94 117.66 3kkg s ASN 74 Ca 0.34 2.40 -0.19 0.00 -1.02 0.00 0.00 52.86 54.38 3kkg s ASN 74 Cb 0.18 -2.59 -0.03 0.00 0.02 0.00 0.00 41.25 38.83 3kkg s ASN 74 CO 0.25 -2.04 1.22 0.00 0.02 0.00 0.00 177.10 176.55 3kkg n GLN 75 N -2.31 1.22 -1.74 -0.60 1.13 -1.26 -4.42 117.38 109.39 3kkg n GLN 75 Ca 0.14 0.46 -0.42 0.00 -1.94 0.00 0.00 57.00 55.24 3kkg n GLN 75 Cb 0.50 -2.44 -0.00 0.00 0.11 0.00 0.00 30.24 28.40 3kkg n GLN 75 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kkg n ALA 76 N -1.60 1.85 -2.61 -1.58 0.00 -1.26 -4.70 120.51 110.61 3kkg n ALA 76 Ca 0.14 0.35 -0.40 0.00 0.00 0.00 0.00 53.44 53.53 3kkg n ALA 76 Cb 0.47 -2.34 -0.08 0.00 0.00 0.00 0.00 19.45 17.50 3kkg n ALA 76 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kkg s VAL 77 N -1.06 5.08 -0.18 0.00 1.01 -0.21 -4.95 120.40 120.10 3kkg s VAL 77 Ca 0.55 0.75 -0.07 0.00 0.00 0.00 0.00 61.98 63.21 3kkg s VAL 77 Cb -0.52 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 3kkg s VAL 77 CO 0.62 0.06 0.05 -1.61 0.00 0.00 0.00 175.10 174.23 3kkg s GLU 78 N 2.27 3.94 0.00 2.72 0.41 -1.26 -1.48 118.70 125.30 3kkg s GLU 78 Ca 0.20 -0.37 0.00 0.00 -0.41 0.00 0.00 54.97 54.39 3kkg s GLU 78 Cb -0.16 -3.18 0.00 0.00 -1.78 0.00 0.00 34.13 29.01 3kkg s GLU 78 CO 0.10 0.26 0.00 0.41 -0.49 0.00 0.00 175.26 175.54 3kkg n GLY 79 N 3.55 2.31 0.25 -1.39 0.00 0.53 -4.64 105.19 105.79 3kkg n GLY 79 Ca -0.17 -1.57 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 3kkg n GLY 79 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kkg h ILE 80 N 0.00 1.24 -0.46 -0.61 2.10 -1.34 -0.02 117.51 118.42 3kkg h ILE 80 Ca 0.00 -0.86 -0.10 0.00 1.08 0.00 0.00 64.86 64.98 3kkg h ILE 80 Cb 0.00 0.79 -0.02 0.00 -1.09 0.00 0.00 36.82 36.50 3kkg h ILE 80 CO 0.00 0.31 -0.14 -0.33 -1.08 0.00 0.00 178.15 176.92 3kkg h GLU 81 N 0.74 0.85 -0.48 2.19 4.39 -1.91 0.73 114.58 121.09 3kkg h GLU 81 Ca 0.17 -0.31 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 3kkg h GLU 81 Cb 0.33 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 3kkg h GLU 81 CO 0.00 0.94 0.18 1.96 -1.16 0.00 0.00 179.01 180.93 3kkg h GLN 82 N 0.76 0.73 -0.53 2.33 7.50 -1.77 -0.25 115.11 123.88 3kkg h GLN 82 Ca 0.12 -0.14 -0.12 0.00 0.50 0.00 0.00 58.65 59.01 3kkg h GLN 82 Cb 0.65 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 28.05 3kkg h GLN 82 CO 0.05 0.67 -0.13 0.00 -1.50 0.00 0.00 178.83 177.91 3kkg h ALA 83 N 1.03 0.76 -0.46 3.87 0.00 -0.73 -1.57 119.26 122.15 3kkg h ALA 83 Ca 0.16 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.73 3kkg h ALA 83 Cb 0.22 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3kkg h ALA 83 CO -0.01 0.67 0.27 0.82 0.00 0.00 0.00 179.25 181.00 3kkg h ILE 84 N 0.90 1.03 -0.85 0.00 2.04 -0.72 -1.40 117.51 118.52 3kkg h ILE 84 Ca 0.14 -0.18 0.05 0.00 1.00 0.00 0.00 64.86 65.86 3kkg h ILE 84 Cb 0.70 0.45 -0.06 0.00 -0.74 0.00 0.00 36.82 37.17 3kkg h ILE 84 CO 0.05 0.10 0.54 0.00 0.00 0.00 0.00 178.15 178.84 3kkg h ALA 85 N 1.21 1.16 -0.30 1.87 0.00 -0.76 -0.69 119.26 121.74 3kkg h ALA 85 Ca 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3kkg h ALA 85 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3kkg h ALA 85 CO -0.09 0.31 0.08 0.35 0.00 0.00 0.00 179.25 179.90 3kkg h PHE 86 N 1.00 0.50 -0.86 0.00 3.57 -1.08 -2.18 116.94 117.89 3kkg h PHE 86 Ca 0.36 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.81 3kkg h PHE 86 Cb 0.11 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 3kkg h PHE 86 CO -0.03 0.54 0.57 -0.97 -2.23 0.00 0.00 178.31 176.19 3kkg h ASN 87 N 0.33 0.98 -0.90 0.41 -0.00 -0.80 -2.36 115.58 113.23 3kkg h ASN 87 Ca 0.10 -0.02 0.04 0.00 -0.00 0.00 0.00 56.30 56.41 3kkg h ASN 87 Cb 0.28 -0.24 -0.05 0.00 -0.00 0.00 0.00 38.32 38.31 3kkg h ASN 87 CO 0.00 0.71 0.58 0.00 -0.00 0.00 0.00 177.43 178.72 3kkg h ALA 88 N 1.32 1.20 -0.40 1.57 0.00 -0.92 -1.90 119.26 120.14 3kkg h ALA 88 Ca 0.32 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.20 3kkg h ALA 88 Cb -0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.34 3kkg h ALA 88 CO -0.07 0.43 0.26 0.28 0.00 0.00 0.00 179.25 180.14 3kkg h VAL 89 N 1.12 1.09 -0.38 0.00 2.07 -0.94 -1.76 116.25 117.45 3kkg h VAL 89 Ca 0.36 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.75 3kkg h VAL 89 Cb 0.03 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 3kkg h VAL 89 CO -0.13 0.10 0.14 -0.07 0.02 0.00 0.00 177.57 177.63 3kkg h LEU 90 N 0.52 0.16 -1.30 2.57 3.38 -0.89 -2.45 115.31 117.31 3kkg h LEU 90 Ca 0.15 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3kkg h LEU 90 Cb -0.05 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3kkg h LEU 90 CO -0.04 0.13 0.00 -0.26 0.09 0.00 0.00 178.44 178.36 3kkg h PHE 91 N 0.30 0.00 -0.01 1.13 -1.00 -0.97 -1.82 116.94 114.57 3kkg h PHE 91 Ca 0.17 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.92 3kkg h PHE 91 Cb 0.14 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.70 3kkg h PHE 91 CO -0.14 0.00 -0.13 0.93 -1.61 0.00 0.00 178.31 177.36 3kkg h GLU 92 N 0.00 0.01 -0.16 1.51 5.08 -0.82 -2.11 114.58 118.09 3kkg h GLU 92 Ca 0.00 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 3kkg h GLU 92 Cb 0.40 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3kkg h GLU 92 CO 0.00 0.14 -0.70 0.78 -1.00 0.00 0.00 179.01 178.24 3kkg h GLY 93 N 0.42 0.72 -6.25 -3.84 0.00 -1.17 -3.22 103.07 89.73 3kkg h GLY 93 Ca 0.00 -0.96 -0.59 0.00 0.00 0.00 0.00 47.33 45.79 3kkg h GLY 93 CO 0.02 0.86 -0.83 0.69 0.00 0.00 0.00 176.54 177.27 3kkg n PHE 94 N -3.92 1.54 0.32 5.60 3.01 -1.06 -1.73 117.46 121.22 3kkg n PHE 94 Ca -0.05 -3.85 0.14 0.00 1.01 0.00 0.00 57.45 54.70 3kkg n PHE 94 Cb 0.70 -0.39 0.61 0.00 -0.01 0.00 0.00 39.48 40.39 3kkg n PHE 94 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3kkg h PRO 95 N 4.44 0.00 -0.03 -1.08 0.13 -1.58 -2.01 132.00 131.86 3kkg h PRO 95 Ca 0.15 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.26 3kkg h PRO 95 Cb 0.78 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.89 3kkg h PRO 95 CO 0.62 0.00 -0.52 0.54 -0.23 0.00 0.00 178.00 178.42 3kkg n ARG 96 N -2.51 1.67 -1.68 0.86 1.74 -1.26 -4.68 116.66 110.80 3kkg n ARG 96 Ca 0.01 -3.34 -0.45 0.00 -0.77 0.00 0.00 57.85 53.29 3kkg n ARG 96 Cb 0.20 -1.64 -0.04 0.00 -1.02 0.00 0.00 32.46 29.96 3kkg n ARG 96 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3kkg n LEU 97 N -1.10 3.32 -4.79 0.55 7.94 -0.76 -4.82 117.00 117.35 3kkg n LEU 97 Ca 0.20 1.08 -0.36 0.00 -1.11 0.00 0.00 56.01 55.83 3kkg n LEU 97 Cb 0.70 -1.46 -0.08 0.00 0.53 0.00 0.00 43.42 43.12 3kkg n LEU 97 CO -0.02 -0.19 -0.23 -1.61 -1.11 0.00 0.00 177.39 174.23 3kkg s GLU 98 N 0.84 3.22 -0.06 1.96 2.02 -0.30 -4.72 118.70 121.65 3kkg s GLU 98 Ca 0.77 -0.27 0.05 0.00 0.02 0.00 0.00 54.97 55.54 3kkg s GLU 98 Cb -0.63 -3.00 -0.01 0.00 0.10 0.00 0.00 34.13 30.59 3kkg s GLU 98 CO 0.38 0.74 -0.23 0.54 0.02 0.00 0.00 175.26 176.70 3kkg s VAL 99 N -0.98 1.95 -0.23 2.63 0.11 -1.26 -1.56 120.40 121.06 3kkg s VAL 99 Ca 0.15 -1.00 0.02 0.00 -2.93 0.00 0.00 61.98 58.22 3kkg s VAL 99 Cb -0.12 -1.66 0.05 0.00 -1.53 0.00 0.00 36.38 33.12 3kkg s VAL 99 CO 0.04 0.54 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.54 3kkg s VAL 100 N -0.03 1.98 0.16 2.04 1.01 -0.44 -4.96 120.40 120.16 3kkg s VAL 100 Ca -0.07 -1.30 -0.31 0.00 0.00 0.00 0.00 61.98 60.30 3kkg s VAL 100 Cb -0.14 -2.02 -0.08 0.00 0.00 0.00 0.00 36.38 34.13 3kkg s VAL 100 CO 0.04 0.14 1.36 -0.69 0.00 0.00 0.00 175.10 175.96 3kkg s VAL 101 N 1.23 3.21 0.00 2.92 1.01 -1.26 -1.07 120.40 126.44 3kkg s VAL 101 Ca -0.04 0.93 0.00 0.00 0.00 0.00 0.00 61.98 62.87 3kkg s VAL 101 Cb -0.17 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.61 3kkg s VAL 101 CO -0.08 0.11 0.18 -1.84 0.00 0.00 0.00 175.10 173.47 3kkg n GLU 102 N 3.28 1.11 -3.69 2.72 0.28 0.35 -4.96 120.64 119.73 3kkg n GLU 102 Ca 0.09 -0.18 -0.13 0.00 -0.16 0.00 0.00 57.16 56.79 3kkg n GLU 102 Cb 0.42 -0.60 -0.09 0.00 1.43 0.00 0.00 31.44 32.61 3kkg n GLU 102 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 3kkg s ASN 103 N -0.21 -0.58 -0.10 -1.84 3.84 -0.93 -4.97 114.94 110.15 3kkg s ASN 103 Ca 0.00 1.08 0.02 0.00 0.21 0.00 0.00 52.86 54.18 3kkg s ASN 103 Cb 0.00 1.07 0.01 0.00 -0.55 0.00 0.00 41.25 41.78 3kkg s ASN 103 CO 0.00 -0.19 -0.17 -0.69 -2.79 0.00 0.00 177.10 173.26 3kkg s VAL 104 N 0.54 1.59 -0.09 -5.21 1.01 -1.26 -0.67 120.40 116.30 3kkg s VAL 104 Ca -0.02 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.25 3kkg s VAL 104 Cb -0.04 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.93 3kkg s VAL 104 CO -0.03 0.46 -0.12 -0.89 0.00 0.00 0.00 175.10 174.52 3kkg s THR 105 N 0.75 1.22 -0.02 3.92 2.01 -0.21 -5.00 115.64 118.31 3kkg s THR 105 Ca -0.11 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 61.45 3kkg s THR 105 Cb -0.16 -1.15 -0.01 0.00 0.01 0.00 0.00 72.50 71.20 3kkg s THR 105 CO 0.02 0.39 -0.14 0.54 -0.69 0.00 0.00 174.62 174.74 3kkg s VAL 106 N 1.07 1.15 -0.16 3.82 0.11 -1.26 -0.37 120.40 124.76 3kkg s VAL 106 Ca -0.06 -0.60 -0.03 0.00 -2.93 0.00 0.00 61.98 58.36 3kkg s VAL 106 Cb -0.15 -0.98 0.05 0.00 -1.53 0.00 0.00 36.38 33.78 3kkg s VAL 106 CO -0.02 0.33 0.05 -0.70 -3.33 0.00 0.00 175.10 171.44 3kkg s GLU 107 N -0.14 0.43 7.05 1.54 2.12 -0.51 -5.03 118.70 124.16 3kkg s GLU 107 Ca 0.02 -0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.14 3kkg s GLU 107 Cb -0.08 -1.79 0.00 0.00 0.26 0.00 0.00 34.13 32.52 3kkg s GLU 107 CO 0.00 -0.59 0.00 0.41 -0.54 0.00 0.00 175.26 174.54 3kkg n GLY 108 N 5.15 3.91 1.05 -1.50 0.00 -1.26 -1.58 105.19 110.96 3kkg n GLY 108 Ca -0.08 0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.08 3kkg n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kkg n ASP 109 N 6.85 3.00 -4.28 1.61 8.00 -1.26 -4.58 116.55 125.89 3kkg n ASP 109 Ca 0.00 -2.29 -0.34 0.00 0.71 0.00 0.00 54.79 52.87 3kkg n ASP 109 Cb 0.00 -0.46 -0.14 0.00 -0.02 0.00 0.00 41.12 40.50 3kkg n ASP 109 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3kkg s ASN 110 N -0.68 4.02 -0.10 -2.24 0.01 -0.61 -0.84 114.94 114.49 3kkg s ASN 110 Ca 0.29 -0.43 0.04 0.00 -0.71 0.00 0.00 52.86 52.04 3kkg s ASN 110 Cb 0.19 -1.67 0.00 0.00 0.41 0.00 0.00 41.25 40.19 3kkg s ASN 110 CO 0.13 0.01 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.83 3kkg s VAL 111 N 1.26 1.90 -0.16 1.60 1.01 -0.69 -1.43 120.40 123.90 3kkg s VAL 111 Ca 0.03 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.10 3kkg s VAL 111 Cb -0.14 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.59 3kkg s VAL 111 CO -0.04 0.52 -0.19 -0.69 0.00 0.00 0.00 175.10 174.70 3kkg s VAL 112 N 0.45 2.24 -0.19 2.92 1.01 0.50 -0.19 120.40 127.14 3kkg s VAL 112 Ca -0.17 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 60.90 3kkg s VAL 112 Cb -0.17 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.29 3kkg s VAL 112 CO 0.07 0.53 -0.14 -0.69 0.00 0.00 0.00 175.10 174.87 3kkg s VAL 113 N 1.01 2.55 -0.08 2.92 1.01 -0.25 -1.04 120.40 126.52 3kkg s VAL 113 Ca -0.02 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 3kkg s VAL 113 Cb -0.15 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 3kkg s VAL 113 CO -0.05 0.50 0.10 -1.10 0.00 0.00 0.00 175.10 174.54 3kkg s GLN 114 N 1.30 3.24 0.35 2.72 -0.21 0.15 -1.05 119.66 126.16 3kkg s GLN 114 Ca 0.04 -0.29 0.01 0.00 0.02 0.00 0.00 55.36 55.14 3kkg s GLN 114 Cb -0.14 -3.01 -0.00 0.00 1.00 0.00 0.00 33.01 30.86 3kkg s GLN 114 CO -0.08 0.72 0.44 0.00 -2.12 0.00 0.00 175.29 174.25 3kkg n ALA 115 N 1.75 -0.04 -3.68 6.09 0.00 -1.02 -0.49 120.51 123.12 3kkg n ALA 115 Ca -0.17 -1.75 -0.21 0.00 0.00 0.00 0.00 53.44 51.30 3kkg n ALA 115 Cb 0.54 1.41 -0.17 0.00 0.00 0.00 0.00 19.45 21.23 3kkg n ALA 115 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3kkg s ARG 116 N -2.98 0.86 -0.12 0.00 3.52 -0.23 -1.05 118.95 118.94 3kkg s ARG 116 Ca 0.33 -0.07 -0.04 0.00 -0.13 0.00 0.00 55.73 55.82 3kkg s ARG 116 Cb -0.00 -0.95 -0.03 0.00 -1.56 0.00 0.00 34.95 32.40 3kkg s ARG 116 CO 0.23 -0.15 0.03 -0.51 -0.81 0.00 0.00 175.30 174.09 3kkg s LEU 117 N 1.25 3.68 -0.01 -0.88 1.43 0.24 -1.33 118.68 123.06 3kkg s LEU 117 Ca -0.06 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 3kkg s LEU 117 Cb -0.14 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.21 3kkg s LEU 117 CO -0.02 0.30 -0.01 0.42 0.23 0.00 0.00 176.35 177.27 3kkg s THR 118 N -0.39 0.14 0.00 5.49 -4.23 -0.60 -1.42 115.64 114.63 3kkg s THR 118 Ca 0.08 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 3kkg s THR 118 Cb -0.12 -0.16 0.00 0.00 1.34 0.00 0.00 72.50 73.56 3kkg s THR 118 CO 0.02 0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 3kkg n GLY 119 N 3.35 0.34 3.86 3.99 0.00 -0.98 -1.15 105.19 114.60 3kkg n GLY 119 Ca -0.17 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 3kkg n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kkg s ALA 120 N -2.00 3.82 -1.34 4.61 0.00 -1.26 -0.88 121.76 124.72 3kkg s ALA 120 Ca 0.00 -0.75 -0.13 0.00 0.00 0.00 0.00 51.96 51.07 3kkg s ALA 120 Cb 0.00 -1.83 0.10 0.00 0.00 0.00 0.00 23.12 21.40 3kkg s ALA 120 CO 0.00 0.69 1.90 0.94 0.00 0.00 0.00 175.76 179.29 3kkg n GLN 121 N 1.36 3.23 0.00 0.00 7.27 0.05 -4.47 117.38 124.81 3kkg n GLN 121 Ca -0.14 -3.21 0.13 0.00 0.07 0.00 0.00 57.00 53.85 3kkg n GLN 121 Cb 0.53 -3.19 0.48 0.00 2.41 0.00 0.00 30.24 30.48 3kkg n GLN 121 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3kkg n ASP 122 N 5.88 0.48 -4.43 1.69 8.00 -0.84 -0.55 116.55 126.78 3kkg n ASP 122 Ca 0.45 -0.35 -0.25 0.00 0.71 0.00 0.00 54.79 55.35 3kkg n ASP 122 Cb 0.40 -0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 41.37 3kkg n ASP 122 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3kkg s GLY 123 N -2.70 2.38 0.37 0.44 0.00 -0.71 -4.81 107.32 102.30 3kkg s GLY 123 Ca 0.21 -1.69 -0.28 0.00 0.00 0.00 0.00 44.72 42.96 3kkg s GLY 123 CO 0.55 -1.91 1.43 2.56 0.00 0.00 0.00 173.10 175.73 3kkg s PRO 124 N -3.82 4.12 -0.14 2.90 0.04 -1.26 -3.95 135.00 132.89 3kkg s PRO 124 Ca 0.30 2.46 -0.04 0.00 0.04 0.00 0.00 61.00 63.75 3kkg s PRO 124 Cb 0.07 -2.95 0.07 0.00 0.04 0.00 0.00 34.50 31.72 3kkg s PRO 124 CO 0.14 -0.48 0.18 0.12 0.04 0.00 0.00 177.00 177.00 3kkg s PHE 125 N -1.14 -0.16 -1.58 0.56 5.36 -0.38 -2.83 117.98 117.81 3kkg s PHE 125 Ca 0.53 0.33 -0.12 0.00 -0.96 0.00 0.00 56.93 56.71 3kkg s PHE 125 Cb -0.44 -0.36 0.10 0.00 -0.34 0.00 0.00 43.02 41.97 3kkg s PHE 125 CO 0.60 -0.43 0.71 1.28 -1.46 0.00 0.00 175.22 175.91 3kkg n LEU 126 N 5.32 -2.04 0.00 6.12 4.77 -1.26 -0.94 117.00 128.97 3kkg n LEU 126 Ca -0.05 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 3kkg n LEU 126 Cb 0.50 -2.22 0.00 0.00 -2.33 0.00 0.00 43.42 39.36 3kkg n LEU 126 CO 0.07 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3kkg n GLY 127 N -1.63 0.80 3.63 -0.72 0.00 -1.26 -5.03 105.19 100.97 3kkg n GLY 127 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 3kkg n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kkg s VAL 128 N -3.07 5.00 0.78 1.61 1.01 -0.11 -5.06 120.40 120.55 3kkg s VAL 128 Ca 0.00 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 3kkg s VAL 128 Cb 0.00 -3.30 0.07 0.00 0.00 0.00 0.00 36.38 33.15 3kkg s VAL 128 CO 0.00 0.40 1.22 -2.84 0.00 0.00 0.00 175.10 173.88 3kkg s PRO 129 N 0.81 1.79 0.17 2.72 0.02 -1.26 -1.25 135.00 138.00 3kkg s PRO 129 Ca 0.06 1.80 -0.34 0.00 0.02 0.00 0.00 61.00 62.54 3kkg s PRO 129 Cb -0.13 -1.79 -0.14 0.00 0.02 0.00 0.00 34.50 32.47 3kkg s PRO 129 CO 0.02 -2.11 1.59 -0.35 -0.33 0.00 0.00 177.00 175.82 3kkg n PRO 130 N -3.07 2.23 -0.01 5.54 -0.04 -1.25 -4.78 135.00 133.61 3kkg n PRO 130 Ca 0.14 0.80 0.04 0.00 -0.04 0.00 0.00 63.50 64.44 3kkg n PRO 130 Cb 0.50 -2.58 -0.08 0.00 -0.04 0.00 0.00 33.50 31.31 3kkg n PRO 130 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3kkg n SER 131 N 3.43 2.71 0.00 3.54 3.41 -0.92 -4.98 113.62 120.81 3kkg n SER 131 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 3kkg n SER 131 Cb 0.30 1.35 0.00 0.00 -0.26 0.00 0.00 64.21 65.59 3kkg n SER 131 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kkg n GLY 132 N 2.01 0.77 0.00 5.00 0.00 0.29 -4.98 105.19 108.27 3kkg n GLY 132 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3kkg n GLY 132 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3kkg n GLN 133 N -2.04 1.21 -3.62 1.61 -0.06 -1.26 -4.24 117.38 108.99 3kkg n GLN 133 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 54.96 3kkg n GLN 133 Cb 0.01 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.16 3kkg n GLN 133 CO 0.00 0.00 0.00 0.14 -0.20 0.00 0.00 177.06 177.00 3kkg s VAL 135 N 0.00 0.00 -0.32 1.69 -7.23 -0.06 -0.77 120.40 113.71 3kkg s VAL 135 Ca 0.00 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.20 3kkg s VAL 135 Cb 0.00 -1.00 0.16 0.00 0.56 0.00 0.00 36.38 36.10 3kkg s VAL 135 CO 0.00 0.00 0.43 -0.62 -0.31 0.00 0.00 175.10 174.60 3kkg s ASP 136 N -1.56 0.27 0.03 4.85 -1.08 -1.25 -2.32 116.67 115.60 3kkg s ASP 136 Ca 0.08 -0.65 0.01 0.00 -0.52 0.00 0.00 52.55 51.47 3kkg s ASP 136 Cb -0.01 1.12 -0.02 0.00 -1.46 0.00 0.00 42.92 42.55 3kkg s ASP 136 CO -0.05 -0.31 -0.05 0.68 0.52 0.00 0.00 175.17 175.95 3kkg s VAL 137 N 2.25 0.35 0.65 1.11 -7.23 -0.51 -4.98 120.40 112.05 3kkg s VAL 137 Ca 0.12 -0.85 -0.11 0.00 -1.81 0.00 0.00 61.98 59.32 3kkg s VAL 137 Cb -0.12 -0.42 -0.02 0.00 0.56 0.00 0.00 36.38 36.38 3kkg s VAL 137 CO -0.22 -0.34 1.04 -2.16 -0.31 0.00 0.00 175.10 173.11 3kkg s PRO 138 N -1.27 3.30 0.33 4.82 0.04 -1.26 -0.59 135.00 140.36 3kkg s PRO 138 Ca -0.10 0.86 -0.04 0.00 0.04 0.00 0.00 61.00 61.76 3kkg s PRO 138 Cb -0.08 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3kkg s PRO 138 CO -0.00 -0.81 0.46 0.16 0.04 0.00 0.00 177.00 176.85 3kkg s ASP 139 N -3.96 0.74 -0.16 6.66 1.47 -0.21 -3.87 116.67 117.34 3kkg s ASP 139 Ca 0.57 -1.41 -0.09 0.00 1.18 0.00 0.00 52.55 52.80 3kkg s ASP 139 Cb -0.12 0.64 0.06 0.00 -0.34 0.00 0.00 42.92 43.15 3kkg s ASP 139 CO 0.54 -1.26 0.39 0.54 0.68 0.00 0.00 175.17 176.06 3kkg s VAL 140 N -3.22 -0.02 -0.10 2.11 0.11 -0.12 -2.42 120.40 116.74 3kkg s VAL 140 Ca 0.30 0.09 0.03 0.00 -2.93 0.00 0.00 61.98 59.47 3kkg s VAL 140 Cb -0.00 -0.58 -0.01 0.00 -1.53 0.00 0.00 36.38 34.26 3kkg s VAL 140 CO 0.18 0.04 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.89 3kkg s THR 141 N 1.29 2.35 -0.26 5.04 2.01 -0.22 -1.53 115.64 124.32 3kkg s THR 141 Ca -0.09 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.00 3kkg s THR 141 Cb -0.08 -1.92 0.05 0.00 0.01 0.00 0.00 72.50 70.56 3kkg s THR 141 CO -0.11 0.55 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.51 3kkg s LEU 142 N 0.24 3.37 -0.01 4.42 1.43 0.49 -1.09 118.68 127.54 3kkg s LEU 142 Ca -0.14 -1.26 -0.01 0.00 -1.03 0.00 0.00 54.13 51.69 3kkg s LEU 142 Cb -0.17 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 3kkg s LEU 142 CO 0.07 -0.18 0.09 -0.36 0.23 0.00 0.00 176.35 176.20 3kkg s PHE 143 N 1.16 3.31 -0.07 0.29 0.08 0.73 -0.73 117.98 122.76 3kkg s PHE 143 Ca -0.06 0.22 0.05 0.00 0.12 0.00 0.00 56.93 57.26 3kkg s PHE 143 Cb -0.19 -1.75 -0.01 0.00 -0.57 0.00 0.00 43.02 40.50 3kkg s PHE 143 CO -0.05 0.56 -0.24 0.99 -0.10 0.00 0.00 175.22 176.38 3kkg s THR 144 N -1.20 2.09 0.27 0.64 2.01 -0.26 -1.70 115.64 117.49 3kkg s THR 144 Ca 0.23 -1.04 0.11 0.00 0.31 0.00 0.00 61.69 61.30 3kkg s THR 144 Cb -0.12 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.58 3kkg s THR 144 CO 0.14 0.57 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.77 3kkg s LEU 145 N -0.05 2.87 -0.07 4.42 1.02 -0.02 -0.68 118.68 126.17 3kkg s LEU 145 Ca -0.07 -0.85 -0.03 0.00 0.02 0.00 0.00 54.13 53.20 3kkg s LEU 145 Cb -0.15 -1.39 0.04 0.00 0.02 0.00 0.00 46.19 44.71 3kkg s LEU 145 CO 0.05 0.02 0.15 0.00 0.02 0.00 0.00 176.35 176.59 3kkg s ALA 146 N -2.41 -0.22 -1.59 4.21 0.00 0.11 -4.82 121.76 117.05 3kkg s ALA 146 Ca 0.30 0.64 -0.12 0.00 0.00 0.00 0.00 51.96 52.78 3kkg s ALA 146 Cb -0.06 -0.57 0.10 0.00 0.00 0.00 0.00 23.12 22.59 3kkg s ALA 146 CO 0.17 -0.29 0.73 -0.25 0.00 0.00 0.00 175.76 176.12 3kkg n ASP 147 N 4.57 -2.76 0.00 0.00 8.00 -1.26 -1.75 116.55 123.34 3kkg n ASP 147 Ca -0.20 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.34 3kkg n ASP 147 Cb 0.51 -3.07 0.00 0.00 -0.02 0.00 0.00 41.12 38.54 3kkg n ASP 147 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kkg n GLY 148 N -1.62 1.12 3.46 0.44 0.00 -1.26 -5.03 105.19 102.31 3kkg n GLY 148 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 3kkg n GLY 148 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kkg s GLN 149 N -0.27 1.76 -0.15 1.61 -1.52 -0.72 -5.00 119.66 115.36 3kkg s GLN 149 Ca 0.00 -1.18 -0.28 0.00 -1.95 0.00 0.00 55.36 51.95 3kkg s GLN 149 Cb 0.00 -2.08 -0.01 0.00 -0.22 0.00 0.00 33.01 30.70 3kkg s GLN 149 CO 0.00 0.49 0.98 0.08 -0.25 0.00 0.00 175.29 176.58 3kkg s VAL 150 N -1.07 4.78 -0.08 1.09 1.01 0.22 -0.71 120.40 125.64 3kkg s VAL 150 Ca 0.16 1.95 0.15 0.00 0.00 0.00 0.00 61.98 64.25 3kkg s VAL 150 Cb -0.10 -4.27 -0.23 0.00 0.00 0.00 0.00 36.38 31.77 3kkg s VAL 150 CO 0.08 -0.04 0.36 2.30 0.00 0.00 0.00 175.10 177.81 3kkg n ILE 151 N 4.80 0.00 -3.40 2.22 -5.35 0.14 -1.54 119.36 116.23 3kkg n ILE 151 Ca 0.09 -0.34 -0.03 0.00 -0.27 0.00 0.00 62.75 62.20 3kkg n ILE 151 Cb 0.48 0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.60 3kkg n ILE 151 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 3kkg n GLU 152 N -1.98 0.30 -3.63 6.28 2.13 -1.11 -1.89 120.64 120.73 3kkg n GLU 152 Ca -0.02 -0.73 -0.08 0.00 0.66 0.00 0.00 57.16 56.98 3kkg n GLU 152 Cb 0.39 0.83 -0.07 0.00 0.27 0.00 0.00 31.44 32.86 3kkg n GLU 152 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3kkg s ARG 154 N -2.10 0.44 0.00 5.31 0.52 0.09 -1.11 118.95 122.10 3kkg s ARG 154 Ca 0.06 0.43 0.03 0.00 -0.52 0.00 0.00 55.73 55.72 3kkg s ARG 154 Cb -0.01 0.21 -0.01 0.00 0.52 0.00 0.00 34.95 35.66 3kkg s ARG 154 CO 0.05 -0.07 -0.09 -0.47 0.02 0.00 0.00 175.30 174.74 3kkg s TYR 155 N -0.05 0.76 -0.03 -0.53 5.04 -0.34 -0.38 117.35 121.81 3kkg s TYR 155 Ca 0.03 -0.20 -0.03 0.00 -2.44 0.00 0.00 57.07 54.44 3kkg s TYR 155 Cb -0.04 -0.48 0.01 0.00 0.35 0.00 0.00 41.96 41.80 3kkg s TYR 155 CO -0.06 -0.01 0.07 -0.06 -1.34 0.00 0.00 175.55 174.14 3kkg s PHE 156 N -0.40 -0.08 0.00 4.97 0.40 -0.58 -0.75 117.98 121.55 3kkg s PHE 156 Ca 0.01 0.20 0.00 0.00 -0.60 0.00 0.00 56.93 56.54 3kkg s PHE 156 Cb -0.04 0.03 0.00 0.00 0.51 0.00 0.00 43.02 43.51 3kkg s PHE 156 CO -0.00 -0.04 0.00 -2.37 0.70 0.00 0.00 175.22 173.51 3kkg n THR 157 N 3.05 0.00 -2.91 0.64 5.66 -1.26 -0.95 114.28 118.51 3kkg n THR 157 Ca -0.12 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.44 3kkg n THR 157 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 3kkg n THR 157 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3kkg n ASP 158 N -1.51 5.37 0.14 1.09 -0.08 -1.25 -4.80 116.55 115.51 3kkg n ASP 158 Ca 0.00 -3.06 0.00 0.00 -1.51 0.00 0.00 54.79 50.22 3kkg n ASP 158 Cb 0.00 -1.49 0.28 0.00 2.34 0.00 0.00 41.12 42.25 3kkg n ASP 158 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3kkg h LEU 159 N 8.31 0.12 -0.63 -2.67 5.85 -1.96 -1.60 115.31 122.72 3kkg h LEU 159 Ca 0.29 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 3kkg h LEU 159 Cb 0.80 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 3kkg h LEU 159 CO 1.28 0.51 0.30 0.25 -0.34 0.00 0.00 178.44 180.45 3kkg h LEU 160 N 0.09 0.82 -0.66 2.25 5.85 -2.06 -2.60 115.31 119.01 3kkg h LEU 160 Ca 0.01 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 3kkg h LEU 160 Cb 0.76 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3kkg h LEU 160 CO 0.06 0.72 0.01 0.00 -0.34 0.00 0.00 178.44 178.89 3kkg h ALA 161 N 1.13 0.87 0.00 1.25 0.00 -1.84 0.00 119.26 120.67 3kkg h ALA 161 Ca 0.22 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kkg h ALA 161 Cb 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3kkg h ALA 161 CO -0.03 0.67 0.00 0.28 0.00 0.00 0.00 179.25 180.17 3kkg n VAL 162 N -4.18 0.00 0.00 0.00 0.31 -0.65 -1.11 118.33 112.70 3kkg n VAL 162 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3kkg n VAL 162 Cb 0.34 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.22 3kkg n VAL 162 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3kkg n THR 164 N 0.46 0.00 -0.18 2.52 -1.04 -0.01 -1.19 114.28 114.83 3kkg n THR 164 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 3kkg n THR 164 Cb 0.02 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.55 3kkg n THR 164 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kkg h ALA 165 N 0.00 0.68 0.00 2.41 0.00 -1.36 -2.80 119.26 118.18 3kkg h ALA 165 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3kkg h ALA 165 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3kkg h ALA 165 CO 0.00 0.35 -0.37 -0.84 0.00 0.00 0.00 179.25 178.39 3kkg h ILE 166 N 0.71 0.00 -0.01 0.00 3.07 -1.41 -3.18 117.51 116.69 3kkg h ILE 166 Ca 0.16 -0.87 0.00 0.00 1.55 0.00 0.00 64.86 65.70 3kkg h ILE 166 Cb 0.30 1.67 0.00 0.00 -0.27 0.00 0.00 36.82 38.52 3kkg h ILE 166 CO -0.00 0.00 -0.11 -1.20 -1.05 0.00 0.00 178.15 175.79 3kkg n SER 167 N -2.75 1.47 -4.73 2.16 7.64 -1.19 -4.79 113.62 111.44 3kkg n SER 167 Ca 0.03 -1.33 -0.42 0.00 1.01 0.00 0.00 58.87 58.16 3kkg n SER 167 Cb 0.51 0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 63.75 3kkg n SER 167 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kkg s ALA 168 N -2.19 3.64 0.94 -0.43 0.00 -1.06 -4.98 121.76 117.67 3kkg s ALA 168 Ca 0.32 1.22 -0.11 0.00 0.00 0.00 0.00 51.96 53.39 3kkg s ALA 168 Cb 0.20 -3.55 0.11 0.00 0.00 0.00 0.00 23.12 19.87 3kkg s ALA 168 CO 0.41 -0.67 0.83 -0.35 0.00 0.00 0.00 175.76 175.98 3kkg n PRO 169 N 3.43 -0.45 0.00 0.00 -0.04 -1.26 -5.09 135.00 131.58 3kkg n PRO 169 Ca 0.10 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 3kkg n PRO 169 Cb 0.41 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 3kkg n PRO 169 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16