#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c0e s THR 5 N 0.00 4.20 0.25 2.52 2.01 -1.26 -4.91 115.64 118.45 1c0e s THR 5 Ca 0.00 1.70 0.10 0.00 0.31 0.00 0.00 61.69 63.80 1c0e s THR 5 Cb 0.00 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1c0e s THR 5 CO 0.00 0.20 -0.05 -0.54 -0.69 0.00 0.00 174.62 173.54 1c0e s LYS 6 N 0.45 2.15 -0.01 4.92 1.02 0.16 -4.98 119.74 123.46 1c0e s LYS 6 Ca 0.53 -1.44 0.04 0.00 0.02 0.00 0.00 55.97 55.12 1c0e s LYS 6 Cb -0.27 -2.10 -0.01 0.00 -0.52 0.00 0.00 37.83 34.93 1c0e s LYS 6 CO 0.31 0.37 -0.12 -1.54 -0.92 0.00 0.00 175.35 173.45 1c0e s SER 7 N -3.47 1.44 0.00 2.83 1.04 -1.26 -0.39 113.70 113.90 1c0e s SER 7 Ca 0.30 -0.24 0.05 0.00 0.48 0.00 0.00 55.95 56.54 1c0e s SER 7 Cb -0.07 -0.15 -0.01 0.00 0.10 0.00 0.00 66.02 65.88 1c0e s SER 7 CO 0.18 0.14 -0.16 -0.69 0.98 0.00 0.00 173.24 173.69 1c0e s VAL 8 N -0.34 1.24 -0.21 5.02 1.01 -0.45 -1.80 120.40 124.86 1c0e s VAL 8 Ca 0.04 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1c0e s VAL 8 Cb -0.05 -1.05 0.05 0.00 0.00 0.00 0.00 36.38 35.33 1c0e s VAL 8 CO -0.00 0.27 -0.06 -0.22 0.00 0.00 0.00 175.10 175.09 1c0e s LEU 9 N -0.57 2.30 -0.13 3.92 2.96 0.71 -2.34 118.68 125.53 1c0e s LEU 9 Ca 0.05 -1.01 -0.22 0.00 -0.22 0.00 0.00 54.13 52.73 1c0e s LEU 9 Cb -0.07 -1.13 -0.03 0.00 0.50 0.00 0.00 46.19 45.46 1c0e s LEU 9 CO -0.00 -0.21 0.68 -0.36 -1.32 0.00 0.00 176.35 175.14 1c0e s PHE 10 N 1.45 3.48 -0.02 5.38 0.40 -0.75 -1.07 117.98 126.85 1c0e s PHE 10 Ca -0.04 1.11 0.06 0.00 -0.60 0.00 0.00 56.93 57.47 1c0e s PHE 10 Cb -0.18 -2.81 -0.01 0.00 0.51 0.00 0.00 43.02 40.53 1c0e s PHE 10 CO -0.07 -0.04 -0.20 0.08 0.70 0.00 0.00 175.22 175.69 1c0e s VAL 11 N 1.35 1.59 0.16 -0.44 1.01 -0.05 -0.95 120.40 123.07 1c0e s VAL 11 Ca 0.34 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1c0e s VAL 11 Cb -0.17 -1.33 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 1c0e s VAL 11 CO 0.14 0.45 0.20 0.00 0.00 0.00 0.00 175.10 175.89 1c0e h LEU 13 N 0.00 -0.41 -0.23 0.00 5.85 -1.95 -1.63 115.31 116.94 1c0e h LEU 13 Ca -0.12 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1c0e h LEU 13 Cb 0.55 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1c0e h LEU 13 CO 0.17 0.05 -0.83 0.61 -0.34 0.00 0.00 178.44 178.09 1c0e n GLY 14 N 0.34 -0.78 2.45 3.75 0.00 -1.26 -2.54 105.19 107.15 1c0e n GLY 14 Ca -0.07 -0.59 -0.17 0.00 0.00 0.00 0.00 46.02 45.19 1c0e n GLY 14 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1c0e n ASN 15 N -1.15 -4.91 -0.00 1.61 4.05 -1.26 -4.62 115.26 108.98 1c0e n ASN 15 Ca 0.05 0.07 0.01 0.00 0.45 0.00 0.00 54.58 55.17 1c0e n ASN 15 Cb 0.36 -4.11 -0.01 0.00 1.23 0.00 0.00 39.78 37.24 1c0e n ASN 15 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1c0e n ILE 16 N -3.72 0.00 0.00 -1.44 -5.35 -1.26 -4.63 119.36 102.96 1c0e n ILE 16 Ca -0.19 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 1c0e n ILE 16 Cb 0.65 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 39.19 1c0e n ILE 16 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1c0e h ARG 18 N 0.00 -0.85 -0.80 0.00 3.08 -1.94 -2.83 114.38 111.04 1c0e h ARG 18 Ca 0.00 0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.18 1c0e h ARG 18 Cb 0.00 0.19 -0.06 0.00 0.08 0.00 0.00 29.97 30.18 1c0e h ARG 18 CO 0.00 -0.57 0.48 0.00 -1.07 0.00 0.00 179.97 178.81 1c0e h ALA 19 N -0.53 1.11 -0.35 0.04 0.00 -1.90 0.74 119.26 118.38 1c0e h ALA 19 Ca -0.08 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1c0e h ALA 19 Cb 0.71 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1c0e h ALA 19 CO 0.10 0.17 0.14 -1.35 0.00 0.00 0.00 179.25 178.31 1c0e h PRO 20 N 0.85 0.49 -0.05 0.00 0.11 -1.81 -0.47 132.00 131.12 1c0e h PRO 20 Ca 0.36 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.33 1c0e h PRO 20 Cb 0.24 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.25 1c0e h PRO 20 CO -0.20 0.41 -0.33 0.82 -0.21 0.00 0.00 178.00 178.49 1c0e h ILE 21 N 0.49 1.45 -0.52 4.15 2.04 -0.94 -2.89 117.51 121.30 1c0e h ILE 21 Ca 0.12 -1.80 -0.02 0.00 1.00 0.00 0.00 64.86 64.17 1c0e h ILE 21 Cb 0.10 2.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 1c0e h ILE 21 CO -0.01 0.51 0.25 0.00 0.00 0.00 0.00 178.15 178.90 1c0e h ALA 22 N 0.38 0.66 -0.69 1.87 0.00 -0.67 -1.66 119.26 119.14 1c0e h ALA 22 Ca -0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1c0e h ALA 22 Cb 1.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1c0e h ALA 22 CO 0.07 0.22 0.43 1.49 0.00 0.00 0.00 179.25 181.46 1c0e h GLU 23 N 0.69 0.93 -0.45 0.00 4.81 -1.17 0.09 114.58 119.48 1c0e h GLU 23 Ca 0.18 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 1c0e h GLU 23 Cb 0.11 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1c0e h GLU 23 CO -0.02 0.65 -0.05 0.00 -0.73 0.00 0.00 179.01 178.86 1c0e h ALA 24 N 1.23 0.61 0.15 2.92 0.00 -1.36 -0.37 119.26 122.44 1c0e h ALA 24 Ca 0.25 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1c0e h ALA 24 Cb -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1c0e h ALA 24 CO -0.05 0.45 -0.07 0.28 0.00 0.00 0.00 179.25 179.86 1c0e h VAL 25 N 0.67 0.89 -0.92 0.00 2.07 -1.07 -1.26 116.25 116.62 1c0e h VAL 25 Ca 0.12 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1c0e h VAL 25 Cb 0.57 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1c0e h VAL 25 CO 0.03 0.03 0.57 0.15 0.02 0.00 0.00 177.57 178.37 1c0e h PHE 26 N -0.26 1.20 -0.60 1.57 3.57 -0.92 -1.81 116.94 119.71 1c0e h PHE 26 Ca -0.02 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1c0e h PHE 26 Cb 0.20 -0.40 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 1c0e h PHE 26 CO -0.05 0.79 0.31 -0.09 -2.23 0.00 0.00 178.31 177.04 1c0e h ARG 27 N 1.27 0.84 -0.20 1.11 2.43 -0.81 -2.21 114.38 116.81 1c0e h ARG 27 Ca 0.33 -0.11 -0.10 0.00 -0.81 0.00 0.00 59.98 59.30 1c0e h ARG 27 Cb -0.08 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 1c0e h ARG 27 CO -0.06 0.66 -0.29 -0.22 -1.51 0.00 0.00 179.97 178.54 1c0e h LYS 28 N 0.81 0.39 0.20 0.20 3.64 -0.83 -2.17 116.57 118.81 1c0e h LYS 28 Ca 0.21 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1c0e h LYS 28 Cb 0.07 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1c0e h LYS 28 CO -0.03 0.65 -0.10 -0.07 -2.27 0.00 0.00 179.45 177.63 1c0e h LEU 29 N 0.34 -0.23 -1.13 5.20 -0.00 -0.93 -1.55 115.31 117.01 1c0e h LEU 29 Ca 0.05 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.78 1c0e h LEU 29 Cb 0.69 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.41 1c0e h LEU 29 CO 0.05 0.01 0.00 0.58 -0.00 0.00 0.00 178.44 179.08 1c0e h VAL 30 N -0.47 0.00 0.21 1.22 2.07 -1.39 -1.76 116.25 116.13 1c0e h VAL 30 Ca -0.03 -0.35 -0.32 0.00 0.82 0.00 0.00 66.70 66.82 1c0e h VAL 30 Cb 0.36 1.21 0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1c0e h VAL 30 CO 0.05 0.00 -1.50 0.74 0.02 0.00 0.00 177.57 176.88 1c0e h THR 31 N 0.00 1.17 -0.05 2.57 2.02 -1.17 -0.73 112.91 116.71 1c0e h THR 31 Ca 0.00 -2.59 -0.01 0.00 0.77 0.00 0.00 66.41 64.58 1c0e h THR 31 Cb 0.41 2.94 -0.00 0.00 -1.74 0.00 0.00 68.15 69.77 1c0e h THR 31 CO 0.00 0.81 0.00 0.44 0.37 0.00 0.00 175.52 177.14 1c0e h ASP 32 N 0.04 0.09 0.00 4.18 3.45 -1.08 -1.88 116.42 121.22 1c0e h ASP 32 Ca -0.28 -0.29 0.00 0.00 0.43 0.00 0.00 57.03 56.89 1c0e h ASP 32 Cb 2.06 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 40.81 1c0e h ASP 32 CO 0.21 0.35 0.00 0.00 -1.57 0.00 0.00 179.24 178.23 1c0e n GLN 33 N -4.89 0.36 -0.91 3.56 6.02 -0.68 -4.83 117.38 116.01 1c0e n GLN 33 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 1c0e n GLN 33 Cb 0.17 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.96 1c0e n GLN 33 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1c0e n ASN 34 N -0.97 -4.25 -1.60 1.08 5.15 -0.71 -4.83 115.26 109.13 1c0e n ASN 34 Ca 0.08 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 54.04 1c0e n ASN 34 Cb 0.04 -2.72 0.23 0.00 -0.53 0.00 0.00 39.78 36.80 1c0e n ASN 34 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1c0e n ILE 35 N -2.15 2.13 -0.36 -1.44 -5.35 -0.40 -4.65 119.36 107.13 1c0e n ILE 35 Ca 0.00 -1.09 0.27 0.00 -0.27 0.00 0.00 62.75 61.66 1c0e n ILE 35 Cb 0.32 -0.45 0.53 0.00 -1.74 0.00 0.00 39.64 38.30 1c0e n ILE 35 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 1c0e h SER 36 N 2.04 0.42 -0.24 7.28 0.87 -1.53 -1.72 113.55 120.67 1c0e h SER 36 Ca 0.15 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1c0e h SER 36 Cb 1.80 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.84 1c0e h SER 36 CO 0.49 -0.05 0.00 0.47 -0.53 0.00 0.00 176.83 177.21 1c0e n ASP 37 N -4.77 2.22 -0.86 6.23 8.00 -1.26 -3.41 116.55 122.70 1c0e n ASP 37 Ca 0.31 -1.81 0.12 0.00 0.71 0.00 0.00 54.79 54.12 1c0e n ASP 37 Cb 1.06 -0.15 0.14 0.00 -0.02 0.00 0.00 41.12 42.14 1c0e n ASP 37 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1c0e n ASN 38 N 0.69 2.74 -4.02 -2.24 3.02 -0.65 -4.91 115.26 109.90 1c0e n ASN 38 Ca 0.17 -1.89 -0.23 0.00 -0.03 0.00 0.00 54.58 52.59 1c0e n ASN 38 Cb 0.41 0.04 -0.16 0.00 -0.61 0.00 0.00 39.78 39.46 1c0e n ASN 38 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1c0e s TRP 39 N -2.05 1.31 -0.28 3.10 0.52 -1.22 0.38 118.94 120.70 1c0e s TRP 39 Ca 0.28 -0.44 -0.09 0.00 0.02 0.00 0.00 56.10 55.88 1c0e s TRP 39 Cb 0.20 -0.96 -0.02 0.00 -1.15 0.00 0.00 33.47 31.54 1c0e s TRP 39 CO 0.33 -0.22 0.12 0.08 0.02 0.00 0.00 176.95 177.28 1c0e s VAL 40 N 0.54 4.52 -0.07 4.03 1.01 0.48 -4.96 120.40 125.94 1c0e s VAL 40 Ca -0.11 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1c0e s VAL 40 Cb -0.14 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1c0e s VAL 40 CO 0.03 0.18 -0.09 -0.63 0.00 0.00 0.00 175.10 174.59 1c0e s ILE 41 N 1.62 3.53 0.31 2.22 1.01 -1.26 -1.35 121.20 127.28 1c0e s ILE 41 Ca 0.05 -0.54 -0.15 0.00 0.00 0.00 0.00 60.65 60.01 1c0e s ILE 41 Cb -0.16 -2.44 0.02 0.00 0.01 0.00 0.00 42.46 39.89 1c0e s ILE 41 CO 0.05 0.59 0.64 -0.62 0.00 0.00 0.00 174.94 175.60 1c0e s ASP 42 N -0.68 0.01 0.05 3.58 2.15 -0.99 -5.00 116.67 115.79 1c0e s ASP 42 Ca 0.10 -0.95 0.01 0.00 0.43 0.00 0.00 52.55 52.14 1c0e s ASP 42 Cb -0.11 0.71 -0.03 0.00 -0.30 0.00 0.00 42.92 43.19 1c0e s ASP 42 CO 0.01 -1.37 -0.05 -0.44 -0.17 0.00 0.00 175.17 173.15 1c0e s SER 43 N -3.03 0.65 0.05 -0.34 0.01 -1.26 -1.81 113.70 107.98 1c0e s SER 43 Ca 0.18 -0.71 -0.19 0.00 1.31 0.00 0.00 55.95 56.54 1c0e s SER 43 Cb -0.04 0.10 0.04 0.00 0.21 0.00 0.00 66.02 66.34 1c0e s SER 43 CO 0.10 -0.36 0.45 -0.83 0.41 0.00 0.00 173.24 173.01 1c0e s GLY 44 N -2.08 -0.33 0.11 3.44 0.00 -0.13 -4.56 107.32 103.76 1c0e s GLY 44 Ca -0.04 0.37 0.06 0.00 0.00 0.00 0.00 44.72 45.10 1c0e s GLY 44 CO -0.03 0.10 -0.04 0.00 0.00 0.00 0.00 173.10 173.13 1c0e s ALA 45 N -2.61 3.17 0.12 3.20 0.00 -0.39 -2.82 121.76 122.42 1c0e s ALA 45 Ca -0.04 -1.19 -0.10 0.00 0.00 0.00 0.00 51.96 50.62 1c0e s ALA 45 Cb -0.01 -1.07 -0.10 0.00 0.00 0.00 0.00 23.12 21.94 1c0e s ALA 45 CO -0.03 0.66 1.34 0.28 0.00 0.00 0.00 175.76 178.01 1c0e h VAL 46 N 2.95 1.29 -2.35 0.00 2.07 -1.19 -1.64 116.25 117.39 1c0e h VAL 46 Ca -0.48 -1.97 -0.46 0.00 0.82 0.00 0.00 66.70 64.62 1c0e h VAL 46 Cb 1.17 1.96 0.07 0.00 -1.52 0.00 0.00 31.29 32.96 1c0e h VAL 46 CO 0.57 0.62 0.05 -0.94 0.02 0.00 0.00 177.57 177.89 1c0e s SER 47 N -7.07 4.77 0.00 0.57 1.04 -1.05 -4.81 113.70 107.15 1c0e s SER 47 Ca -0.09 -0.19 0.05 0.00 0.48 0.00 0.00 55.95 56.20 1c0e s SER 47 Cb 0.09 -0.41 0.02 0.00 0.10 0.00 0.00 66.02 65.82 1c0e s SER 47 CO 0.89 -1.54 0.54 -0.90 0.98 0.00 0.00 173.24 173.21 1c0e n ASP 48 N -2.62 1.11 -0.34 7.02 5.68 -1.26 -4.71 116.55 121.42 1c0e n ASP 48 Ca 0.12 -1.05 0.09 0.00 -0.50 0.00 0.00 54.79 53.44 1c0e n ASP 48 Cb 0.60 0.27 0.28 0.00 -1.14 0.00 0.00 41.12 41.13 1c0e n ASP 48 CO 0.00 0.00 0.00 -0.50 -1.33 0.00 0.00 177.20 175.37 1c0e h TRP 49 N 0.76 1.07 -0.57 2.11 6.55 -1.94 -2.72 115.95 121.21 1c0e h TRP 49 Ca 0.00 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.87 1c0e h TRP 49 Cb 0.19 -0.34 0.00 0.00 -0.86 0.00 0.00 29.16 28.15 1c0e h TRP 49 CO 0.00 0.41 0.00 0.09 -1.05 0.00 0.00 178.44 177.89 1c0e n ASN 50 N -4.61 5.35 -4.67 -3.49 5.03 -1.26 -5.00 115.26 106.60 1c0e n ASN 50 Ca 0.19 -2.81 -0.46 0.00 0.87 0.00 0.00 54.58 52.36 1c0e n ASN 50 Cb 0.39 -0.65 -0.04 0.00 -1.02 0.00 0.00 39.78 38.46 1c0e n ASN 50 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1c0e n VAL 51 N 0.66 0.05 0.00 2.41 0.31 -1.03 -1.33 118.33 119.41 1c0e n VAL 51 Ca 0.27 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.59 1c0e n VAL 51 Cb 1.10 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 1c0e n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c0e n GLY 52 N 3.52 3.15 3.74 2.92 0.00 0.17 -4.97 105.19 113.72 1c0e n GLY 52 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1c0e n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1c0e s ARG 53 N -0.41 2.43 0.58 1.61 0.52 -0.44 -4.46 118.95 118.78 1c0e s ARG 53 Ca 0.00 1.65 -0.03 0.00 -0.52 0.00 0.00 55.73 56.82 1c0e s ARG 53 Cb 0.00 -1.88 0.02 0.00 0.52 0.00 0.00 34.95 33.61 1c0e s ARG 53 CO 0.00 -1.59 0.86 -1.12 0.02 0.00 0.00 175.30 173.47 1c0e s SER 54 N -2.16 5.38 0.83 0.23 0.01 -1.26 -1.04 113.70 115.69 1c0e s SER 54 Ca 0.72 0.41 -0.11 0.00 1.31 0.00 0.00 55.95 58.28 1c0e s SER 54 Cb -0.26 -1.34 0.10 0.00 0.21 0.00 0.00 66.02 64.72 1c0e s SER 54 CO 0.43 -1.14 1.14 -2.84 0.41 0.00 0.00 173.24 171.23 1c0e s PRO 55 N -4.92 1.63 0.34 12.44 0.02 -1.26 -4.91 135.00 138.34 1c0e s PRO 55 Ca 0.55 1.48 -0.29 0.00 0.02 0.00 0.00 61.00 62.76 1c0e s PRO 55 Cb -0.10 -1.80 -0.11 0.00 0.02 0.00 0.00 34.50 32.50 1c0e s PRO 55 CO 0.42 -2.17 1.52 -3.47 -0.33 0.00 0.00 177.00 172.98 1c0e n ASP 56 N -3.69 3.76 0.01 2.53 -0.08 -0.06 -4.82 116.55 114.19 1c0e n ASP 56 Ca 0.11 1.19 0.18 0.00 -1.51 0.00 0.00 54.79 54.77 1c0e n ASP 56 Cb 0.52 -1.60 0.66 0.00 2.34 0.00 0.00 41.12 43.04 1c0e n ASP 56 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1c0e h PRO 57 N 3.68 0.06 0.00 -0.67 0.13 -1.92 0.24 132.00 133.52 1c0e h PRO 57 Ca -0.49 -0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 1c0e h PRO 57 Cb 1.24 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1c0e h PRO 57 CO 0.70 0.04 -0.31 0.00 -0.23 0.00 0.00 178.00 178.20 1c0e h ARG 58 N 0.06 0.00 0.07 0.86 3.08 -1.96 0.11 114.38 116.59 1c0e h ARG 58 Ca 0.24 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.05 1c0e h ARG 58 Cb 0.88 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 1c0e h ARG 58 CO -0.02 0.31 -1.11 0.00 -1.07 0.00 0.00 179.97 178.08 1c0e h ALA 59 N 1.69 0.23 -0.16 0.04 0.00 -0.86 -2.64 119.26 117.57 1c0e h ALA 59 Ca -0.00 -0.88 -0.13 0.00 0.00 0.00 0.00 54.91 53.90 1c0e h ALA 59 Cb 0.69 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1c0e h ALA 59 CO 0.04 1.08 -0.41 0.28 0.00 0.00 0.00 179.25 180.24 1c0e h VAL 60 N 0.05 1.34 0.01 0.00 2.07 -0.82 -2.69 116.25 116.21 1c0e h VAL 60 Ca -0.08 -1.67 0.01 0.00 0.82 0.00 0.00 66.70 65.78 1c0e h VAL 60 Cb 1.85 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 33.58 1c0e h VAL 60 CO 0.17 0.51 -0.05 0.28 0.02 0.00 0.00 177.57 178.50 1c0e h SER 61 N 0.22 -0.14 -0.47 0.57 0.02 -1.05 -0.31 113.55 112.39 1c0e h SER 61 Ca -0.00 0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.04 1c0e h SER 61 Cb 1.02 0.06 -0.07 0.00 0.14 0.00 0.00 62.40 63.55 1c0e h SER 61 CO 0.09 -0.07 0.09 0.00 -1.14 0.00 0.00 176.83 175.79 1c0e h LEU 63 N 0.22 0.98 -1.11 0.00 4.07 -1.24 -2.26 115.31 115.97 1c0e h LEU 63 Ca 0.23 -0.12 -0.04 0.00 0.08 0.00 0.00 57.88 58.03 1c0e h LEU 63 Cb 0.31 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.77 1c0e h LEU 63 CO -0.31 0.82 0.16 -0.09 -1.08 0.00 0.00 178.44 177.94 1c0e h ARG 64 N 1.06 0.79 0.00 1.13 2.43 0.28 0.79 114.38 120.86 1c0e h ARG 64 Ca 0.26 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1c0e h ARG 64 Cb 0.09 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1c0e h ARG 64 CO -0.04 0.69 -0.02 -0.91 -1.51 0.00 0.00 179.97 178.19 1c0e h ASN 65 N 0.77 0.00 -0.61 -3.80 -0.26 -0.19 -0.50 115.58 110.99 1c0e h ASN 65 Ca 0.18 0.00 -0.21 0.00 -0.56 0.00 0.00 56.30 55.71 1c0e h ASN 65 Cb 0.24 0.00 -0.12 0.00 -1.06 0.00 0.00 38.32 37.38 1c0e h ASN 65 CO -0.01 0.02 0.20 1.41 -1.06 0.00 0.00 177.43 177.99 1c0e n HIS 66 N -3.63 1.99 -1.68 1.19 8.25 -0.32 -4.93 115.22 116.10 1c0e n HIS 66 Ca -0.03 -1.31 -0.19 0.00 -0.26 0.00 0.00 57.72 55.93 1c0e n HIS 66 Cb 0.11 -0.62 -0.07 0.00 1.12 0.00 0.00 29.99 30.53 1c0e n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1c0e n GLY 67 N -0.54 1.50 3.57 -1.41 0.00 -0.20 -4.98 105.19 103.12 1c0e n GLY 67 Ca 0.38 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.97 1c0e n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c0e s ILE 68 N -2.75 3.95 0.38 -0.61 1.01 0.12 -4.98 121.20 118.32 1c0e s ILE 68 Ca 0.00 -0.36 0.08 0.00 0.00 0.00 0.00 60.65 60.37 1c0e s ILE 68 Cb 0.00 -2.68 -0.06 0.00 0.01 0.00 0.00 42.46 39.73 1c0e s ILE 68 CO 0.00 0.55 0.08 0.20 0.00 0.00 0.00 174.94 175.77 1c0e s ASN 69 N -0.30 4.23 -0.19 3.58 -0.87 -1.26 -2.90 114.94 117.22 1c0e s ASN 69 Ca 0.05 -1.09 -0.28 0.00 -1.57 0.00 0.00 52.86 49.97 1c0e s ASN 69 Cb -0.12 -0.49 0.12 0.00 -0.02 0.00 0.00 41.25 40.73 1c0e s ASN 69 CO 0.02 -0.39 0.97 0.28 -2.57 0.00 0.00 177.10 175.41 1c0e s THR 70 N -2.58 0.00 -0.43 1.60 -1.32 -1.26 -5.00 115.64 106.65 1c0e s THR 70 Ca 0.37 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.91 1c0e s THR 70 Cb 0.03 -1.00 0.42 0.00 -1.51 0.00 0.00 72.50 70.45 1c0e s THR 70 CO 0.20 0.00 1.11 0.00 -2.21 0.00 0.00 174.62 173.72 1c0e n ALA 71 N 1.32 4.99 -2.01 11.08 0.00 -1.26 -5.06 120.51 129.57 1c0e n ALA 71 Ca -0.12 -4.26 -0.41 0.00 0.00 0.00 0.00 53.44 48.65 1c0e n ALA 71 Cb 0.57 -0.55 -0.03 0.00 0.00 0.00 0.00 19.45 19.44 1c0e n ALA 71 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1c0e s HIS 72 N -3.52 3.22 -0.21 0.00 5.04 -1.26 -5.03 115.29 113.52 1c0e s HIS 72 Ca 0.47 1.15 -0.00 0.00 -1.54 0.00 0.00 55.06 55.14 1c0e s HIS 72 Cb 0.40 -3.65 0.05 0.00 0.04 0.00 0.00 32.58 29.43 1c0e s HIS 72 CO -0.17 -2.08 -0.04 0.15 -2.34 0.00 0.00 174.74 170.26 1c0e s LYS 73 N 0.02 1.46 0.26 2.88 -0.14 -1.26 -4.16 119.74 118.80 1c0e s LYS 73 Ca 0.58 -0.79 -0.31 0.00 -1.36 0.00 0.00 55.97 54.10 1c0e s LYS 73 Cb -0.37 -2.38 -0.12 0.00 -1.68 0.00 0.00 37.83 33.28 1c0e s LYS 73 CO 0.38 -0.56 1.59 0.00 -0.76 0.00 0.00 175.35 176.00 1c0e n ALA 74 N 4.78 2.25 -2.22 5.17 0.00 -0.21 -4.81 120.51 125.47 1c0e n ALA 74 Ca -0.12 0.39 -0.13 0.00 0.00 0.00 0.00 53.44 53.59 1c0e n ALA 74 Cb 0.45 -2.43 -0.10 0.00 0.00 0.00 0.00 19.45 17.37 1c0e n ALA 74 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1c0e s ARG 75 N -0.04 0.99 0.11 0.00 1.70 -1.26 0.44 118.95 120.89 1c0e s ARG 75 Ca 0.68 -1.43 -0.03 0.00 -0.47 0.00 0.00 55.73 54.48 1c0e s ARG 75 Cb -0.54 -0.35 -0.05 0.00 -0.57 0.00 0.00 34.95 33.44 1c0e s ARG 75 CO 0.45 -0.03 0.31 -1.14 -1.08 0.00 0.00 175.30 173.81 1c0e s GLN 76 N -3.83 3.54 0.31 3.89 0.74 -1.26 -1.26 119.66 121.79 1c0e s GLN 76 Ca 0.17 -0.24 -0.29 0.00 0.05 0.00 0.00 55.36 55.05 1c0e s GLN 76 Cb 0.05 -2.92 -0.10 0.00 1.10 0.00 0.00 33.01 31.14 1c0e s GLN 76 CO -0.00 0.52 1.28 0.08 -0.55 0.00 0.00 175.29 176.61 1c0e s VAL 77 N -1.61 2.88 0.38 1.34 1.01 -0.62 -4.73 120.40 119.05 1c0e s VAL 77 Ca 0.39 0.86 0.08 0.00 0.00 0.00 0.00 61.98 63.31 1c0e s VAL 77 Cb -0.12 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.63 1c0e s VAL 77 CO 0.26 0.20 -0.04 0.42 0.00 0.00 0.00 175.10 175.94 1c0e s THR 78 N -0.96 2.10 0.49 3.92 -4.23 -1.26 -4.99 115.64 110.70 1c0e s THR 78 Ca 0.49 -2.10 0.15 0.00 -1.18 0.00 0.00 61.69 59.06 1c0e s THR 78 Cb -0.38 -2.83 0.30 0.00 1.34 0.00 0.00 72.50 70.92 1c0e s THR 78 CO 0.49 -0.10 2.08 0.11 -0.54 0.00 0.00 174.62 176.67 1c0e h LYS 79 N 1.89 0.17 0.00 3.99 6.56 -1.96 -2.04 116.57 125.19 1c0e h LYS 79 Ca -0.43 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.15 1c0e h LYS 79 Cb 1.24 -0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 32.87 1c0e h LYS 79 CO 0.76 0.11 -0.01 1.49 -2.06 0.00 0.00 179.45 179.74 1c0e h GLU 80 N 0.18 0.00 -0.17 3.15 4.81 -2.00 -3.05 114.58 117.49 1c0e h GLU 80 Ca 0.11 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1c0e h GLU 80 Cb 0.23 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1c0e h GLU 80 CO -0.02 0.01 0.07 -0.44 -0.73 0.00 0.00 179.01 177.91 1c0e h ASP 81 N 0.00 0.20 0.74 1.04 3.32 -1.77 -1.73 116.42 118.21 1c0e h ASP 81 Ca -0.00 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1c0e h ASP 81 Cb 0.67 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 1c0e h ASP 81 CO 0.00 0.18 -0.10 -0.26 -1.72 0.00 0.00 179.24 177.35 1c0e h PHE 82 N 0.23 0.00 0.00 4.55 -1.00 -1.70 -1.77 116.94 117.26 1c0e h PHE 82 Ca 0.06 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.82 1c0e h PHE 82 Cb 0.04 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.60 1c0e h PHE 82 CO 0.00 0.10 -1.95 1.33 -1.61 0.00 0.00 178.31 176.18 1c0e n VAL 83 N -3.32 0.11 -0.10 -0.55 0.24 -0.72 -0.60 118.33 113.40 1c0e n VAL 83 Ca -0.00 -0.52 -0.17 0.00 -2.04 0.00 0.00 64.34 61.61 1c0e n VAL 83 Cb 0.31 -0.05 -0.13 0.00 -1.47 0.00 0.00 33.84 32.50 1c0e n VAL 83 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1c0e n THR 84 N -2.31 1.53 -2.91 3.34 -2.24 -0.82 -4.73 114.28 106.13 1c0e n THR 84 Ca -0.05 -0.65 -0.38 0.00 -2.27 0.00 0.00 64.05 60.70 1c0e n THR 84 Cb 0.60 -1.29 -0.06 0.00 -2.10 0.00 0.00 70.33 67.48 1c0e n THR 84 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1c0e s PHE 85 N -2.53 3.84 0.05 4.78 0.40 -0.68 -4.96 117.98 118.88 1c0e s PHE 85 Ca -0.27 1.68 -0.16 0.00 -0.60 0.00 0.00 56.93 57.58 1c0e s PHE 85 Cb 0.08 -2.82 -0.23 0.00 0.51 0.00 0.00 43.02 40.56 1c0e s PHE 85 CO 0.68 0.41 1.15 -0.44 0.70 0.00 0.00 175.22 177.72 1c0e h ASP 86 N 3.89 0.76 -4.18 1.36 3.32 -1.86 -3.30 116.42 116.41 1c0e h ASP 86 Ca -0.47 -0.75 -0.42 0.00 0.02 0.00 0.00 57.03 55.42 1c0e h ASP 86 Cb 1.20 -0.23 -0.27 0.00 0.22 0.00 0.00 39.33 40.24 1c0e h ASP 86 CO 0.66 1.41 -0.79 -0.31 -1.72 0.00 0.00 179.24 178.49 1c0e s TYR 87 N -3.27 1.00 -0.30 4.55 1.51 -0.75 -2.06 117.35 118.03 1c0e s TYR 87 Ca -0.11 -0.23 0.01 0.00 -1.01 0.00 0.00 57.07 55.72 1c0e s TYR 87 Cb 0.05 -0.63 0.09 0.00 -0.11 0.00 0.00 41.96 41.37 1c0e s TYR 87 CO 0.88 -0.01 0.06 0.42 -1.11 0.00 0.00 175.55 175.79 1c0e s ILE 88 N -0.44 1.32 -0.26 2.71 1.01 -1.03 -0.21 121.20 124.30 1c0e s ILE 88 Ca 0.03 -1.58 -0.09 0.00 0.00 0.00 0.00 60.65 59.01 1c0e s ILE 88 Cb -0.05 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 1c0e s ILE 88 CO 0.00 -0.55 0.12 -0.76 0.00 0.00 0.00 174.94 173.75 1c0e s LEU 89 N 1.41 3.67 0.45 2.97 1.43 -0.24 -1.03 118.68 127.34 1c0e s LEU 89 Ca 0.07 -0.13 0.07 0.00 -1.03 0.00 0.00 54.13 53.11 1c0e s LEU 89 Cb -0.18 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 1c0e s LEU 89 CO -0.17 -0.04 0.24 0.00 0.23 0.00 0.00 176.35 176.62 1c0e h MET 91 N 1.23 -0.06 0.00 0.00 2.86 -1.80 -0.31 114.93 116.86 1c0e h MET 91 Ca -0.41 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 56.67 1c0e h MET 91 Cb 1.27 0.01 -0.13 0.00 0.06 0.00 0.00 31.60 32.81 1c0e h MET 91 CO 0.66 -0.04 -0.49 -0.40 1.06 0.00 0.00 176.91 177.71 1c0e n ASP 92 N -4.26 0.86 -0.11 1.22 5.68 -1.26 -1.97 116.55 116.71 1c0e n ASP 92 Ca -0.01 -3.27 -0.07 0.00 -0.50 0.00 0.00 54.79 50.95 1c0e n ASP 92 Cb 0.02 1.20 -0.00 0.00 -1.14 0.00 0.00 41.12 41.20 1c0e n ASP 92 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1c0e h GLU 93 N 0.00 -0.19 -0.74 0.11 4.57 -1.96 -1.53 114.58 114.83 1c0e h GLU 93 Ca -0.31 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.86 1c0e h GLU 93 Cb 1.26 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.86 1c0e h GLU 93 CO 0.49 -0.13 0.38 0.66 -1.18 0.00 0.00 179.01 179.23 1c0e h SER 94 N -0.20 0.94 -0.01 1.04 4.64 -1.98 -0.08 113.55 117.90 1c0e h SER 94 Ca 0.18 -0.11 0.03 0.00 -0.47 0.00 0.00 61.79 61.42 1c0e h SER 94 Cb 0.49 -0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 62.29 1c0e h SER 94 CO -0.50 0.79 -0.31 0.78 -0.87 0.00 0.00 176.83 176.72 1c0e h ASN 95 N 1.02 -0.93 -0.76 4.97 -0.26 -1.81 0.47 115.58 118.29 1c0e h ASN 95 Ca 0.26 0.12 0.09 0.00 -0.56 0.00 0.00 56.30 56.21 1c0e h ASN 95 Cb 0.08 0.38 -0.07 0.00 -1.06 0.00 0.00 38.32 37.64 1c0e h ASN 95 CO -0.04 -0.37 0.41 0.25 -1.06 0.00 0.00 177.43 176.62 1c0e h LEU 96 N -0.46 0.56 0.13 1.61 5.85 -0.98 0.95 115.31 122.97 1c0e h LEU 96 Ca 0.06 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1c0e h LEU 96 Cb 0.55 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1c0e h LEU 96 CO -0.27 0.33 -0.06 -0.09 -0.34 0.00 0.00 178.44 178.01 1c0e h ARG 97 N 0.69 -0.16 -0.68 1.25 2.43 -0.22 -0.96 114.38 116.73 1c0e h ARG 97 Ca 0.37 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.64 1c0e h ARG 97 Cb 0.35 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.86 1c0e h ARG 97 CO -0.25 0.15 0.32 -0.44 -1.51 0.00 0.00 179.97 178.23 1c0e h ASP 98 N -0.48 0.38 -0.29 -3.80 3.45 0.38 -1.23 116.42 114.83 1c0e h ASP 98 Ca -0.02 0.07 -0.04 0.00 0.43 0.00 0.00 57.03 57.47 1c0e h ASP 98 Cb 0.39 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.16 1c0e h ASP 98 CO 0.03 0.22 0.02 -0.07 -1.57 0.00 0.00 179.24 177.87 1c0e h LEU 99 N 0.54 0.47 -1.05 1.55 3.38 -0.75 -2.15 115.31 117.30 1c0e h LEU 99 Ca 0.34 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1c0e h LEU 99 Cb 0.39 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1c0e h LEU 99 CO -0.29 0.64 0.59 0.78 0.09 0.00 0.00 178.44 180.25 1c0e h ASN 100 N 0.29 1.08 -0.41 -0.43 2.35 -0.81 -0.89 115.58 116.76 1c0e h ASN 100 Ca 0.08 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1c0e h ASN 100 Cb 0.38 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1c0e h ASN 100 CO 0.01 0.80 0.15 -0.09 -1.65 0.00 0.00 177.43 176.65 1c0e h ARG 101 N 1.26 0.63 -0.02 0.81 2.43 -1.08 -3.04 114.38 115.36 1c0e h ARG 101 Ca 0.34 -0.12 -0.12 0.00 -0.81 0.00 0.00 59.98 59.26 1c0e h ARG 101 Cb -0.11 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 1c0e h ARG 101 CO -0.07 0.60 -0.55 0.87 -1.51 0.00 0.00 179.97 179.31 1c0e h LYS 102 N 0.52 0.07 0.00 0.20 1.57 -0.99 -2.98 116.57 114.97 1c0e h LYS 102 Ca 0.14 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1c0e h LYS 102 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1c0e h LYS 102 CO -0.01 0.60 0.00 -1.13 -0.57 0.00 0.00 179.45 178.34 1c0e n SER 103 N -3.89 0.00 -0.05 0.86 3.41 -0.37 -2.55 113.62 111.03 1c0e n SER 103 Ca -0.02 -0.97 -0.19 0.00 -0.26 0.00 0.00 58.87 57.44 1c0e n SER 103 Cb 0.56 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.38 1c0e n SER 103 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1c0e n ASN 104 N -0.55 1.88 0.00 4.04 5.03 -1.12 -4.01 115.26 120.52 1c0e n ASN 104 Ca 0.01 0.10 0.06 0.00 0.87 0.00 0.00 54.58 55.63 1c0e n ASN 104 Cb 0.01 -0.56 0.37 0.00 -1.02 0.00 0.00 39.78 38.57 1c0e n ASN 104 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1c0e n GLN 105 N -3.34 0.38 -4.32 3.52 6.02 -1.06 -4.54 117.38 114.04 1c0e n GLN 105 Ca -0.35 0.01 -0.34 0.00 -0.01 0.00 0.00 57.00 56.31 1c0e n GLN 105 Cb 1.03 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 30.65 1c0e n GLN 105 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1c0e s VAL 106 N -2.03 2.94 -0.00 5.09 0.11 -1.26 -5.04 120.40 120.21 1c0e s VAL 106 Ca 0.18 -0.66 -0.19 0.00 -2.93 0.00 0.00 61.98 58.38 1c0e s VAL 106 Cb 0.09 -2.28 -0.11 0.00 -1.53 0.00 0.00 36.38 32.55 1c0e s VAL 106 CO 0.15 0.49 0.89 0.50 -3.33 0.00 0.00 175.10 173.80 1c0e h LYS 107 N 7.50 -0.67 -1.75 1.54 1.63 -1.88 -3.33 116.57 119.61 1c0e h LYS 107 Ca -0.36 0.05 -0.34 0.00 -0.85 0.00 0.00 60.65 59.15 1c0e h LYS 107 Cb 1.18 0.15 -0.13 0.00 -0.60 0.00 0.00 32.23 32.83 1c0e h LYS 107 CO 0.59 -0.45 0.31 0.27 -3.45 0.00 0.00 179.45 176.72 1c0e n ASN 108 N -4.78 6.29 -4.69 4.20 6.94 -1.26 -4.97 115.26 116.98 1c0e n ASN 108 Ca -0.09 -3.01 -0.44 0.00 -0.02 0.00 0.00 54.58 51.02 1c0e n ASN 108 Cb 0.27 -1.15 -0.03 0.00 -2.36 0.00 0.00 39.78 36.51 1c0e n ASN 108 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1c0e n ARG 110 N 2.97 0.37 -2.74 0.00 1.85 0.23 -4.97 116.66 114.37 1c0e n ARG 110 Ca 0.14 -0.09 -0.40 0.00 -1.00 0.00 0.00 57.85 56.50 1c0e n ARG 110 Cb 0.32 -0.47 -0.05 0.00 -1.05 0.00 0.00 32.46 31.21 1c0e n ARG 110 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1c0e s ALA 111 N -0.08 3.31 -0.58 2.89 0.00 -0.23 -4.85 121.76 122.21 1c0e s ALA 111 Ca 0.00 0.61 -0.23 0.00 0.00 0.00 0.00 51.96 52.33 1c0e s ALA 111 Cb 0.00 -3.23 0.05 0.00 0.00 0.00 0.00 23.12 19.94 1c0e s ALA 111 CO 0.00 0.13 0.92 0.15 0.00 0.00 0.00 175.76 176.97 1c0e s LYS 112 N -0.80 3.24 -0.22 0.00 3.01 -0.88 -4.92 119.74 119.18 1c0e s LYS 112 Ca 0.43 -0.50 -0.26 0.00 -1.01 0.00 0.00 55.97 54.63 1c0e s LYS 112 Cb -0.25 -4.11 -0.00 0.00 -1.01 0.00 0.00 37.83 32.45 1c0e s LYS 112 CO 0.31 -1.57 0.89 0.42 0.51 0.00 0.00 175.35 175.91 1c0e s ILE 113 N 3.89 4.80 0.07 2.17 1.01 -1.26 -2.47 121.20 129.41 1c0e s ILE 113 Ca 0.26 1.72 -0.06 0.00 0.00 0.00 0.00 60.65 62.57 1c0e s ILE 113 Cb -0.14 -4.18 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 1c0e s ILE 113 CO 0.16 -0.07 0.13 -1.61 0.00 0.00 0.00 174.94 173.54 1c0e s GLU 114 N 2.74 0.76 0.02 2.79 2.02 -0.19 -5.00 118.70 121.83 1c0e s GLU 114 Ca 0.38 -1.01 -0.29 0.00 0.02 0.00 0.00 54.97 54.08 1c0e s GLU 114 Cb -0.16 0.30 -0.04 0.00 0.10 0.00 0.00 34.13 34.34 1c0e s GLU 114 CO 0.09 -0.22 0.93 -0.51 0.02 0.00 0.00 175.26 175.57 1c0e s LEU 115 N -2.81 4.39 0.38 1.80 1.43 -1.26 -1.12 118.68 121.49 1c0e s LEU 115 Ca 0.05 1.61 0.05 0.00 -1.03 0.00 0.00 54.13 54.81 1c0e s LEU 115 Cb 0.05 -3.49 0.75 0.00 0.03 0.00 0.00 46.19 43.53 1c0e s LEU 115 CO -0.10 -0.19 2.02 0.25 0.23 0.00 0.00 176.35 178.56 1c0e h LEU 116 N 6.50 0.56 -0.23 1.79 5.85 -1.34 -2.01 115.31 126.43 1c0e h LEU 116 Ca -0.42 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1c0e h LEU 116 Cb 1.21 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1c0e h LEU 116 CO 0.74 0.43 0.00 0.61 -0.34 0.00 0.00 178.44 179.89 1c0e n GLY 117 N -1.39 -1.12 0.07 3.75 0.00 -1.19 -2.56 105.19 102.76 1c0e n GLY 117 Ca 0.04 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.14 1c0e n GLY 117 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1c0e n SER 118 N -1.75 0.32 -0.27 1.61 3.41 -0.76 -1.39 113.62 114.78 1c0e n SER 118 Ca 0.03 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.35 1c0e n SER 118 Cb 0.20 -0.65 0.05 0.00 -0.26 0.00 0.00 64.21 63.55 1c0e n SER 118 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1c0e n TYR 119 N -1.87 0.00 -2.14 7.33 4.02 -1.06 -4.94 117.16 118.51 1c0e n TYR 119 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.48 1c0e n TYR 119 Cb 0.15 -0.04 -0.03 0.00 -0.02 0.00 0.00 39.34 39.40 1c0e n TYR 119 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1c0e s ASP 120 N -2.67 6.77 0.58 7.72 2.15 -0.49 -4.70 116.67 126.03 1c0e s ASP 120 Ca 0.16 2.10 0.35 0.00 0.43 0.00 0.00 52.55 55.59 1c0e s ASP 120 Cb 0.18 -2.54 1.77 0.00 -0.30 0.00 0.00 42.92 42.03 1c0e s ASP 120 CO 0.66 -0.84 2.16 1.55 -0.17 0.00 0.00 175.17 178.52 1c0e h PRO 121 N 8.82 0.00 -0.54 4.34 0.13 -1.89 -0.84 132.00 142.04 1c0e h PRO 121 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1c0e h PRO 121 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1c0e h PRO 121 CO 0.95 0.04 0.00 1.04 -0.23 0.00 0.00 178.00 179.80 1c0e n GLN 122 N -3.31 2.41 -2.98 0.86 6.02 -1.26 -4.93 117.38 114.20 1c0e n GLN 122 Ca -0.02 -1.65 -0.13 0.00 -0.01 0.00 0.00 57.00 55.19 1c0e n GLN 122 Cb 0.20 -1.53 -0.01 0.00 1.02 0.00 0.00 30.24 29.91 1c0e n GLN 122 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1c0e n LYS 123 N 0.65 -2.58 -2.90 -1.09 4.01 -0.32 -4.84 118.16 111.09 1c0e n LYS 123 Ca 0.15 0.22 -0.44 0.00 -0.51 0.00 0.00 58.31 57.73 1c0e n LYS 123 Cb 0.50 -4.79 0.00 0.00 -0.51 0.00 0.00 35.03 30.23 1c0e n LYS 123 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 1c0e n GLN 124 N -3.04 3.48 -0.30 1.97 7.27 -1.26 -4.84 117.38 120.66 1c0e n GLN 124 Ca -0.01 -3.91 0.02 0.00 0.07 0.00 0.00 57.00 53.17 1c0e n GLN 124 Cb 0.52 -2.93 0.09 0.00 2.41 0.00 0.00 30.24 30.33 1c0e n GLN 124 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1c0e h LEU 125 N 8.80 -0.88 -9.37 1.69 5.85 -1.89 -3.42 115.31 116.09 1c0e h LEU 125 Ca 0.31 0.26 -0.57 0.00 0.84 0.00 0.00 57.88 58.71 1c0e h LEU 125 Cb 0.82 0.55 -0.07 0.00 0.37 0.00 0.00 40.66 42.33 1c0e h LEU 125 CO 1.28 -0.28 -0.06 -0.63 -0.34 0.00 0.00 178.44 178.41 1c0e s ILE 126 N -6.20 5.11 -0.45 4.05 -1.09 -1.26 -3.17 121.20 118.19 1c0e s ILE 126 Ca -0.15 1.13 -0.11 0.00 -2.23 0.00 0.00 60.65 59.30 1c0e s ILE 126 Cb 0.23 -3.90 0.09 0.00 -1.58 0.00 0.00 42.46 37.30 1c0e s ILE 126 CO 0.75 0.32 0.32 -0.63 -1.23 0.00 0.00 174.94 174.47 1c0e s ILE 127 N 0.53 4.51 0.25 2.92 1.01 -0.83 -5.03 121.20 124.55 1c0e s ILE 127 Ca 0.30 -1.39 -0.30 0.00 0.00 0.00 0.00 60.65 59.26 1c0e s ILE 127 Cb -0.16 -3.79 -0.10 0.00 0.01 0.00 0.00 42.46 38.42 1c0e s ILE 127 CO 0.14 -0.59 1.43 -0.70 0.00 0.00 0.00 174.94 175.21 1c0e s GLU 128 N 1.47 4.28 -0.07 2.79 2.56 -1.26 -4.37 118.70 124.10 1c0e s GLU 128 Ca 0.04 2.28 -0.29 0.00 0.00 0.00 0.00 54.97 56.99 1c0e s GLU 128 Cb -0.24 -3.12 -0.06 0.00 2.00 0.00 0.00 34.13 32.71 1c0e s GLU 128 CO 0.03 -0.41 1.88 0.34 -0.56 0.00 0.00 175.26 176.54 1c0e s ASP 129 N 0.36 6.32 0.00 -1.70 2.15 -1.26 -4.89 116.67 117.64 1c0e s ASP 129 Ca 0.59 2.25 0.17 0.00 0.43 0.00 0.00 52.55 56.00 1c0e s ASP 129 Cb -0.41 -2.53 0.49 0.00 -0.30 0.00 0.00 42.92 40.17 1c0e s ASP 129 CO 0.43 -1.22 1.40 -0.81 -0.17 0.00 0.00 175.17 174.80 1c0e n PRO 130 N 7.68 2.12 -0.28 4.34 -0.04 -1.26 -4.57 135.00 143.00 1c0e n PRO 130 Ca 0.21 -1.73 0.14 0.00 -0.04 0.00 0.00 63.50 62.07 1c0e n PRO 130 Cb 0.43 -1.40 0.40 0.00 -0.04 0.00 0.00 33.50 32.89 1c0e n PRO 130 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1c0e h TYR 131 N 2.98 0.79 -0.14 0.54 3.20 -1.98 -1.64 116.97 120.72 1c0e h TYR 131 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1c0e h TYR 131 Cb 0.67 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1c0e h TYR 131 CO 0.29 0.26 0.00 0.66 -1.64 0.00 0.00 178.16 177.72 1c0e n TYR 132 N -4.58 0.15 -1.42 -3.82 0.53 -1.26 -4.97 117.16 101.79 1c0e n TYR 132 Ca 0.19 -0.08 0.00 0.00 -1.02 0.00 0.00 57.90 56.99 1c0e n TYR 132 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.85 1c0e n TYR 132 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1c0e n GLY 133 N 1.34 1.54 3.32 2.72 0.00 -0.62 -5.14 105.19 108.35 1c0e n GLY 133 Ca 0.17 -1.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.00 1c0e n GLY 133 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1c0e n ASN 134 N 0.00 2.82 -0.03 1.61 0.23 -1.26 -4.99 115.26 113.64 1c0e n ASN 134 Ca 0.00 -2.79 0.21 0.00 -0.53 0.00 0.00 54.58 51.47 1c0e n ASN 134 Cb 0.00 0.10 0.69 0.00 -2.08 0.00 0.00 39.78 38.49 1c0e n ASN 134 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1c0e h ASP 135 N 0.77 0.00 -0.55 0.53 3.45 -1.96 -0.51 116.42 118.16 1c0e h ASP 135 Ca -0.33 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.09 1c0e h ASP 135 Cb 1.13 -0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.88 1c0e h ASP 135 CO 0.54 0.00 0.22 0.00 -1.57 0.00 0.00 179.24 178.43 1c0e h ALA 136 N 1.71 0.71 -0.15 3.45 0.00 -1.99 -1.91 119.26 121.07 1c0e h ALA 136 Ca 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1c0e h ALA 136 Cb 1.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1c0e h ALA 136 CO -0.00 0.32 0.05 -0.44 0.00 0.00 0.00 179.25 179.18 1c0e h ASP 137 N 0.75 0.19 0.14 0.00 5.19 -1.47 -1.17 116.42 120.04 1c0e h ASP 137 Ca 0.18 -0.01 -0.19 0.00 -0.62 0.00 0.00 57.03 56.39 1c0e h ASP 137 Cb 0.20 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 39.66 1c0e h ASP 137 CO -0.02 0.19 -0.71 -0.26 -3.12 0.00 0.00 179.24 175.32 1c0e h PHE 138 N 0.21 0.68 -0.44 4.55 -1.00 -1.35 -2.43 116.94 117.15 1c0e h PHE 138 Ca 0.05 -0.29 -0.09 0.00 2.81 0.00 0.00 57.97 60.45 1c0e h PHE 138 Cb 0.07 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 1c0e h PHE 138 CO 0.00 1.06 -0.09 1.49 -1.61 0.00 0.00 178.31 179.16 1c0e h GLU 139 N 0.35 0.78 0.19 1.51 4.57 -0.55 -0.92 114.58 120.51 1c0e h GLU 139 Ca -0.03 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 57.89 1c0e h GLU 139 Cb 1.29 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1c0e h GLU 139 CO 0.13 0.85 -0.09 1.15 -1.18 0.00 0.00 179.01 179.87 1c0e h THR 140 N 0.71 0.85 -0.98 0.32 2.02 -1.16 0.11 112.91 114.79 1c0e h THR 140 Ca 0.12 -0.16 0.12 0.00 0.77 0.00 0.00 66.41 67.26 1c0e h THR 140 Cb 0.57 0.95 -0.08 0.00 -1.74 0.00 0.00 68.15 67.85 1c0e h THR 140 CO 0.03 0.04 0.61 0.58 0.37 0.00 0.00 175.52 177.16 1c0e h VAL 141 N -0.33 0.92 -0.16 3.16 2.07 -1.23 0.53 116.25 121.22 1c0e h VAL 141 Ca -0.03 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1c0e h VAL 141 Cb 0.26 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1c0e h VAL 141 CO 0.04 0.18 0.07 0.22 0.02 0.00 0.00 177.57 178.10 1c0e h TYR 142 N 0.97 0.23 -0.90 1.57 3.20 -0.62 -1.65 116.97 119.78 1c0e h TYR 142 Ca 0.48 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.38 1c0e h TYR 142 Cb 0.47 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.62 1c0e h TYR 142 CO -0.01 0.29 0.59 1.96 -1.64 0.00 0.00 178.16 179.35 1c0e h GLN 143 N 0.11 1.08 -0.33 1.82 1.08 0.80 -1.49 115.11 118.18 1c0e h GLN 143 Ca 0.05 -0.06 -0.14 0.00 -1.45 0.00 0.00 58.65 57.05 1c0e h GLN 143 Cb 0.15 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 1c0e h GLN 143 CO -0.01 0.71 -0.33 1.96 -0.95 0.00 0.00 178.83 180.21 1c0e h GLN 144 N 1.11 0.81 -0.69 1.46 4.20 -0.78 -2.44 115.11 118.78 1c0e h GLN 144 Ca 0.36 -0.43 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1c0e h GLN 144 Cb 0.05 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1c0e h GLN 144 CO -0.11 1.06 0.33 0.00 -0.67 0.00 0.00 178.83 179.44 1c0e h VAL 146 N 0.98 0.99 0.08 0.00 2.07 -1.23 0.16 116.25 119.30 1c0e h VAL 146 Ca 0.24 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.39 1c0e h VAL 146 Cb 0.10 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1c0e h VAL 146 CO -0.03 0.10 -0.41 0.03 0.02 0.00 0.00 177.57 177.27 1c0e h ARG 147 N -0.33 -0.60 -0.46 1.57 3.08 -0.97 -0.85 114.38 115.82 1c0e h ARG 147 Ca -0.02 0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 1c0e h ARG 147 Cb 0.27 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1c0e h ARG 147 CO 0.03 -0.40 0.03 0.00 -1.07 0.00 0.00 179.97 178.55 1c0e h ARG 150 N 0.34 1.00 -0.42 0.00 2.43 -1.16 -1.25 114.38 115.32 1c0e h ARG 150 Ca 0.09 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.05 1c0e h ARG 150 Cb 0.40 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1c0e h ARG 150 CO 0.01 0.67 -0.31 0.00 -1.51 0.00 0.00 179.97 178.83 1c0e h ALA 151 N 1.27 0.65 -0.44 2.80 0.00 -1.19 -3.03 119.26 119.32 1c0e h ALA 151 Ca 0.28 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1c0e h ALA 151 Cb -0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1c0e h ALA 151 CO -0.06 0.68 0.29 0.35 0.00 0.00 0.00 179.25 180.51 1c0e h PHE 152 N 0.79 0.56 -0.24 0.00 3.57 -0.19 -3.14 116.94 118.28 1c0e h PHE 152 Ca 0.08 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1c0e h PHE 152 Cb 0.89 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 1c0e h PHE 152 CO 0.06 0.35 0.08 1.25 -2.23 0.00 0.00 178.31 177.82 1c0e h LEU 153 N 0.60 0.35 -1.17 0.59 5.85 -1.24 -2.35 115.31 117.93 1c0e h LEU 153 Ca 0.16 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1c0e h LEU 153 Cb -0.07 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1c0e h LEU 153 CO -0.03 0.45 0.00 -0.62 -0.34 0.00 0.00 178.44 177.89 1c0e n GLU 154 N -4.76 0.66 0.00 1.25 -0.58 -1.15 -2.67 120.64 113.38 1c0e n GLU 154 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1c0e n GLU 154 Cb 0.15 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 1c0e n GLU 154 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1c0e n LYS 155 N 0.26 3.53 -0.71 3.49 0.00 -0.93 -4.83 118.16 118.96 1c0e n LYS 155 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 58.31 58.30 1c0e n LYS 155 Cb 0.19 -0.63 0.22 0.00 0.00 0.00 0.00 35.03 34.82 1c0e n LYS 155 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1c0e n VAL 156 N -0.52 2.50 0.00 3.15 0.24 -0.94 -5.11 118.33 117.66 1c0e n VAL 156 Ca 0.00 -2.38 0.00 0.00 -2.04 0.00 0.00 64.34 59.92 1c0e n VAL 156 Cb 0.03 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 1c0e n VAL 156 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58