#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rac s THR 2 N 0.00 0.00 0.00 3.17 2.01 -1.26 -5.07 115.64 114.49 1rac s THR 2 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1rac s THR 2 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1rac s THR 2 CO 0.00 0.00 0.00 1.41 -0.69 0.00 0.00 174.62 175.34 1rac n HIS 3 N 3.18 0.00 0.00 4.92 8.25 -1.26 -4.33 115.22 125.98 1rac n HIS 3 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1rac n HIS 3 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 1rac n HIS 3 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1rac n ASP 4 N 0.00 0.00 -0.88 0.41 9.92 -1.26 -4.35 116.55 120.39 1rac n ASP 4 Ca 0.00 0.17 0.12 0.00 -0.53 0.00 0.00 54.79 54.55 1rac n ASP 4 Cb 0.00 -0.19 -0.03 0.00 -0.64 0.00 0.00 41.12 40.26 1rac n ASP 4 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1rac n ASN 5 N -1.15 -5.25 0.00 -2.24 0.23 -1.26 -2.75 115.26 102.85 1rac n ASN 5 Ca 0.00 0.44 0.00 0.00 -0.53 0.00 0.00 54.58 54.49 1rac n ASN 5 Cb 0.00 -2.72 0.00 0.00 -2.08 0.00 0.00 39.78 34.98 1rac n ASN 5 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1rac n LYS 6 N -3.18 0.33 0.21 -3.83 -0.00 -1.26 -3.76 118.16 106.67 1rac n LYS 6 Ca -0.00 -0.02 0.06 0.00 -0.00 0.00 0.00 58.31 58.35 1rac n LYS 6 Cb 0.40 -0.27 0.55 0.00 -0.00 0.00 0.00 35.03 35.71 1rac n LYS 6 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.40 178.77 1rac h LEU 7 N 0.00 0.07 -5.23 -5.58 -0.00 -1.98 -3.21 115.31 99.38 1rac h LEU 7 Ca 0.00 -0.01 -0.26 0.00 -0.00 0.00 0.00 57.88 57.62 1rac h LEU 7 Cb 0.20 -0.02 -0.19 0.00 -0.00 0.00 0.00 40.66 40.65 1rac h LEU 7 CO 0.00 0.13 -0.59 0.00 -0.00 0.00 0.00 178.44 177.98 1rac n GLN 8 N -4.44 0.61 -1.18 0.17 -0.00 -1.26 -3.97 117.38 107.31 1rac n GLN 8 Ca -0.02 -2.14 -0.37 0.00 -0.00 0.00 0.00 57.00 54.47 1rac n GLN 8 Cb 0.15 -1.47 0.03 0.00 -0.00 0.00 0.00 30.24 28.96 1rac n GLN 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1rac n VAL 9 N 2.30 0.39 -4.46 -0.39 0.31 -1.22 -4.90 118.33 110.36 1rac n VAL 9 Ca 0.16 -0.48 -0.29 0.00 -0.01 0.00 0.00 64.34 63.73 1rac n VAL 9 Cb 0.58 -0.16 -0.08 0.00 -0.91 0.00 0.00 33.84 33.26 1rac n VAL 9 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1rac s GLU 10 N -1.68 2.14 0.00 5.55 2.02 -1.11 -4.97 118.70 120.65 1rac s GLU 10 Ca 0.54 -2.13 0.00 0.00 0.02 0.00 0.00 54.97 53.40 1rac s GLU 10 Cb -0.37 -1.74 0.00 0.00 0.10 0.00 0.00 34.13 32.11 1rac s GLU 10 CO 0.69 -0.24 0.00 0.00 0.02 0.00 0.00 175.26 175.73 1rac n ALA 11 N -1.23 -0.11 -2.63 5.21 0.00 -1.26 -4.78 120.51 115.71 1rac n ALA 11 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.09 1rac n ALA 11 Cb 0.66 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.09 1rac n ALA 11 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1rac s ILE 12 N 0.00 5.10 -0.21 0.00 -4.36 -1.26 -4.21 121.20 116.25 1rac s ILE 12 Ca 0.00 -0.23 -0.04 0.00 -0.26 0.00 0.00 60.65 60.12 1rac s ILE 12 Cb 0.00 -3.78 -0.01 0.00 1.25 0.00 0.00 42.46 39.92 1rac s ILE 12 CO 0.00 -0.38 -0.04 -1.59 0.24 0.00 0.00 174.94 173.17 1rac s LYS 13 N -3.79 3.43 0.13 0.37 -2.85 -1.26 -4.38 119.74 111.38 1rac s LYS 13 Ca 0.41 -0.61 0.00 0.00 -1.00 0.00 0.00 55.97 54.78 1rac s LYS 13 Cb -0.10 -3.01 0.00 0.00 -2.06 0.00 0.00 37.83 32.66 1rac s LYS 13 CO 0.32 -0.13 0.00 -2.13 0.10 0.00 0.00 175.35 173.51 1rac n ARG 14 N 4.62 -4.50 -3.58 1.78 0.63 -1.24 -4.54 116.66 109.83 1rac n ARG 14 Ca -0.18 3.30 0.00 0.00 -0.92 0.00 0.00 57.85 60.05 1rac n ARG 14 Cb 0.51 -3.62 0.00 0.00 0.45 0.00 0.00 32.46 29.80 1rac n ARG 14 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rac n GLY 15 N 1.55 -0.57 3.31 5.14 0.00 -0.50 -0.52 105.19 113.60 1rac n GLY 15 Ca 0.00 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 1rac n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rac s THR 16 N -2.97 2.04 -0.16 2.61 2.01 0.40 -1.38 115.64 118.19 1rac s THR 16 Ca 0.00 -1.19 0.00 0.00 0.31 0.00 0.00 61.69 60.81 1rac s THR 16 Cb 0.00 -1.71 0.02 0.00 0.01 0.00 0.00 72.50 70.82 1rac s THR 16 CO 0.00 0.48 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.58 1rac s VAL 17 N -0.68 1.60 -0.39 3.82 1.01 0.23 -0.82 120.40 125.18 1rac s VAL 17 Ca 0.10 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 1rac s VAL 17 Cb -0.10 -1.52 0.03 0.00 0.00 0.00 0.00 36.38 34.79 1rac s VAL 17 CO 0.00 0.43 0.23 -0.63 0.00 0.00 0.00 175.10 175.12 1rac s ILE 18 N 1.47 4.65 0.28 2.22 1.01 -0.39 -0.32 121.20 130.11 1rac s ILE 18 Ca 0.04 -0.89 0.11 0.00 0.00 0.00 0.00 60.65 59.92 1rac s ILE 18 Cb -0.13 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 1rac s ILE 18 CO -0.11 -0.28 -0.16 -0.62 0.00 0.00 0.00 174.94 173.78 1rac s ASP 19 N 1.63 3.80 -1.22 3.58 2.15 -0.84 -1.37 116.67 124.39 1rac s ASP 19 Ca 0.02 -0.95 -0.00 0.00 0.43 0.00 0.00 52.55 52.06 1rac s ASP 19 Cb -0.20 -0.42 0.00 0.00 -0.30 0.00 0.00 42.92 42.01 1rac s ASP 19 CO 0.07 0.03 0.97 1.57 -0.17 0.00 0.00 175.17 177.64 1rac n HIS 20 N -0.67 -2.17 -2.84 -5.34 -0.00 -1.22 -0.84 115.22 102.14 1rac n HIS 20 Ca -0.05 0.93 -0.41 0.00 0.46 0.00 0.00 57.72 58.65 1rac n HIS 20 Cb 0.60 -5.00 -0.04 0.00 -0.12 0.00 0.00 29.99 25.43 1rac n HIS 20 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1rac s ILE 21 N -3.40 4.68 0.00 3.57 1.01 -1.15 -2.59 121.20 123.33 1rac s ILE 21 Ca 0.02 1.87 0.00 0.00 0.00 0.00 0.00 60.65 62.54 1rac s ILE 21 Cb -0.01 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.23 1rac s ILE 21 CO 0.74 0.30 0.20 -2.65 0.00 0.00 0.00 174.94 173.53 1rac n PRO 22 N 3.06 0.00 0.00 2.79 -0.02 -1.26 -1.19 135.00 138.38 1rac n PRO 22 Ca 0.01 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1rac n PRO 22 Cb 0.50 -0.70 0.00 0.00 -0.02 0.00 0.00 33.50 33.28 1rac n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rac n ALA 23 N -2.16 0.00 -0.89 3.55 0.00 -1.26 -3.93 120.51 115.81 1rac n ALA 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rac n ALA 23 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1rac n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1rac n GLN 24 N -0.06 -1.44 0.04 0.00 1.13 -1.26 -4.80 117.38 110.99 1rac n GLN 24 Ca 0.00 0.36 0.08 0.00 -1.94 0.00 0.00 57.00 55.50 1rac n GLN 24 Cb 0.00 -4.77 -0.09 0.00 0.11 0.00 0.00 30.24 25.50 1rac n GLN 24 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1rac n ILE 25 N -2.04 0.53 0.26 5.09 2.08 -1.26 -4.33 119.36 119.68 1rac n ILE 25 Ca 0.00 -0.57 -0.17 0.00 0.56 0.00 0.00 62.75 62.56 1rac n ILE 25 Cb 0.36 -0.28 -0.09 0.00 -0.75 0.00 0.00 39.64 38.88 1rac n ILE 25 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1rac h GLY 26 N 3.96 -1.13 1.40 7.39 0.00 -1.92 0.10 103.07 112.86 1rac h GLY 26 Ca -0.06 0.54 0.01 0.00 0.00 0.00 0.00 47.33 47.82 1rac h GLY 26 CO 0.01 -0.35 0.40 -2.75 0.00 0.00 0.00 176.54 173.85 1rac h PHE 27 N -0.92 0.74 -0.75 5.60 3.57 -1.99 -1.12 116.94 122.06 1rac h PHE 27 Ca -0.05 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.51 1rac h PHE 27 Cb 0.82 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 1rac h PHE 27 CO -0.26 0.46 0.47 0.87 -2.23 0.00 0.00 178.31 177.62 1rac h LYS 28 N 0.79 0.86 -0.53 1.11 1.57 -1.51 0.37 116.57 119.24 1rac h LYS 28 Ca 0.22 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.87 1rac h LYS 28 Cb -0.07 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 1rac h LYS 28 CO -0.05 0.57 0.00 -0.07 -0.57 0.00 0.00 179.45 179.33 1rac h LEU 29 N 0.89 0.91 -0.55 2.94 3.38 0.15 0.15 115.31 123.18 1rac h LEU 29 Ca 0.31 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1rac h LEU 29 Cb 0.08 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1rac h LEU 29 CO -0.13 0.99 0.23 -0.07 0.09 0.00 0.00 178.44 179.55 1rac h LEU 30 N 0.80 0.75 0.59 1.67 -0.00 -0.68 -1.66 115.31 116.78 1rac h LEU 30 Ca 0.15 -0.16 -0.03 0.00 -0.00 0.00 0.00 57.88 57.84 1rac h LEU 30 Cb 0.53 -0.19 0.01 0.00 -0.00 0.00 0.00 40.66 41.00 1rac h LEU 30 CO 0.03 0.70 -0.28 0.28 -0.00 0.00 0.00 178.44 179.17 1rac h SER 31 N 0.75 -0.67 -1.00 -0.43 0.02 -0.59 -2.80 113.55 108.83 1rac h SER 31 Ca 0.18 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.22 1rac h SER 31 Cb 0.18 0.17 -0.07 0.00 0.14 0.00 0.00 62.40 62.83 1rac h SER 31 CO -0.02 -0.44 0.65 -0.07 -1.14 0.00 0.00 176.83 175.81 1rac h LEU 32 N -0.87 1.04 -3.04 5.07 4.07 -0.74 -2.86 115.31 117.98 1rac h LEU 32 Ca -0.08 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1rac h LEU 32 Cb 0.61 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1rac h LEU 32 CO 0.13 0.67 0.00 0.49 -1.08 0.00 0.00 178.44 178.65 1rac n PHE 33 N -4.50 1.00 -4.40 1.13 3.72 -0.62 -4.94 117.46 108.85 1rac n PHE 33 Ca 0.15 -0.62 -0.38 0.00 -0.05 0.00 0.00 57.45 56.56 1rac n PHE 33 Cb 0.18 -0.16 -0.07 0.00 -0.94 0.00 0.00 39.48 38.49 1rac n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1rac n LYS 34 N 0.66 -1.41 0.07 -1.08 5.02 -1.06 -4.80 118.16 115.57 1rac n LYS 34 Ca 0.20 0.19 0.09 0.00 -2.02 0.00 0.00 58.31 56.77 1rac n LYS 34 Cb 0.72 -4.52 0.38 0.00 -0.02 0.00 0.00 35.03 31.59 1rac n LYS 34 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1rac n LEU 35 N -4.27 0.35 0.14 -0.35 4.77 -1.19 -1.90 117.00 114.54 1rac n LEU 35 Ca -0.02 0.60 0.09 0.00 -0.03 0.00 0.00 56.01 56.65 1rac n LEU 35 Cb 0.53 -0.57 0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1rac n LEU 35 CO 0.91 -0.50 0.32 0.71 -1.33 0.00 0.00 177.39 177.50 1rac h THR 36 N 0.00 0.21 0.00 -5.08 1.35 -1.87 -3.33 112.91 104.19 1rac h THR 36 Ca 0.00 -1.34 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 1rac h THR 36 Cb 0.24 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1rac h THR 36 CO 0.00 0.12 0.00 1.21 -0.25 0.00 0.00 175.52 176.60 1rac n GLU 37 N -2.94 0.72 -2.46 4.72 4.07 -0.80 -4.74 120.64 119.20 1rac n GLU 37 Ca 0.00 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 56.87 1rac n GLU 37 Cb 0.61 -1.07 0.06 0.00 -0.06 0.00 0.00 31.44 30.98 1rac n GLU 37 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1rac s THR 38 N -1.80 2.45 -1.23 6.31 2.01 -1.25 -5.01 115.64 117.11 1rac s THR 38 Ca 0.00 -0.50 0.10 0.00 0.31 0.00 0.00 61.69 61.60 1rac s THR 38 Cb 0.00 -2.94 0.11 0.00 0.01 0.00 0.00 72.50 69.68 1rac s THR 38 CO 0.00 0.00 0.89 -0.67 -0.69 0.00 0.00 174.62 174.15 1rac n ASP 39 N -2.64 2.02 -4.81 3.53 2.03 -1.26 -5.03 116.55 110.40 1rac n ASP 39 Ca 0.09 -1.52 -0.29 0.00 0.52 0.00 0.00 54.79 53.59 1rac n ASP 39 Cb 0.60 -0.03 0.10 0.00 -0.72 0.00 0.00 41.12 41.07 1rac n ASP 39 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1rac s GLN 40 N -0.89 1.82 0.07 -0.67 -1.52 -1.26 -5.00 119.66 112.21 1rac s GLN 40 Ca 0.14 -0.02 -0.31 0.00 -1.95 0.00 0.00 55.36 53.22 1rac s GLN 40 Cb 0.09 -1.97 -0.06 0.00 -0.22 0.00 0.00 33.01 30.84 1rac s GLN 40 CO 0.13 -1.65 1.31 1.03 -0.25 0.00 0.00 175.29 175.86 1rac s ARG 41 N -5.57 4.36 0.00 2.91 0.52 -1.26 -4.94 118.95 114.98 1rac s ARG 41 Ca 0.63 1.92 0.08 0.00 -0.52 0.00 0.00 55.73 57.84 1rac s ARG 41 Cb -0.10 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 32.00 1rac s ARG 41 CO 0.49 -0.38 -0.23 0.42 0.02 0.00 0.00 175.30 175.61 1rac s ILE 42 N 1.29 2.32 -0.01 1.52 1.01 -1.26 -2.31 121.20 123.76 1rac s ILE 42 Ca 0.62 -1.16 0.06 0.00 0.00 0.00 0.00 60.65 60.17 1rac s ILE 42 Cb -0.33 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.26 1rac s ILE 42 CO 0.29 0.48 -0.18 -0.89 0.00 0.00 0.00 174.94 174.64 1rac s THR 43 N -0.73 1.46 -0.01 2.92 2.01 -0.11 -4.99 115.64 116.18 1rac s THR 43 Ca 0.11 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.33 1rac s THR 43 Cb -0.10 -1.21 0.00 0.00 0.01 0.00 0.00 72.50 71.20 1rac s THR 43 CO 0.01 0.40 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.66 1rac s ILE 44 N -0.45 0.45 -0.17 1.82 1.01 -1.26 -0.20 121.20 122.40 1rac s ILE 44 Ca 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 60.65 60.51 1rac s ILE 44 Cb -0.07 -0.41 -0.01 0.00 0.01 0.00 0.00 42.46 41.98 1rac s ILE 44 CO -0.01 0.15 -0.11 -0.83 0.00 0.00 0.00 174.94 174.14 1rac s GLY 45 N 0.16 1.54 0.04 6.18 0.00 -0.45 -5.01 107.32 109.77 1rac s GLY 45 Ca -0.02 -1.04 0.09 0.00 0.00 0.00 0.00 44.72 43.76 1rac s GLY 45 CO -0.00 0.09 -0.26 1.08 0.00 0.00 0.00 173.10 174.01 1rac s LEU 46 N 0.88 2.15 -0.65 0.66 1.02 -1.26 -1.35 118.68 120.13 1rac s LEU 46 Ca -0.03 -0.57 -0.16 0.00 0.02 0.00 0.00 54.13 53.40 1rac s LEU 46 Cb -0.15 -1.27 0.02 0.00 0.02 0.00 0.00 46.19 44.82 1rac s LEU 46 CO -0.00 0.26 0.64 0.59 0.02 0.00 0.00 176.35 177.85 1rac n ASN 47 N 1.88 -5.56 -4.80 2.29 3.02 -1.20 -4.99 115.26 105.90 1rac n ASN 47 Ca -0.17 -0.48 -0.27 0.00 -0.03 0.00 0.00 54.58 53.63 1rac n ASN 47 Cb 0.52 -2.24 -0.06 0.00 -0.61 0.00 0.00 39.78 37.39 1rac n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1rac s LEU 48 N -3.78 3.83 -1.29 3.41 1.43 0.24 -4.85 118.68 117.66 1rac s LEU 48 Ca 0.16 -0.10 -0.05 0.00 -1.03 0.00 0.00 54.13 53.11 1rac s LEU 48 Cb -0.02 -2.45 0.13 0.00 0.03 0.00 0.00 46.19 43.88 1rac s LEU 48 CO 0.87 0.09 2.36 -0.81 0.23 0.00 0.00 176.35 179.09 1rac n PRO 49 N -0.21 4.62 0.00 1.29 -0.04 -1.25 -1.91 135.00 137.49 1rac n PRO 49 Ca -0.08 -3.51 0.00 0.00 -0.04 0.00 0.00 63.50 59.86 1rac n PRO 49 Cb 0.54 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 1rac n PRO 49 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1rac n SER 50 N 1.60 0.00 -4.42 3.54 7.64 0.30 -4.96 113.62 117.32 1rac n SER 50 Ca 0.61 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 60.10 1rac n SER 50 Cb 0.25 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.48 1rac n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rac n GLY 51 N 0.00 -1.81 3.56 0.23 0.00 -1.26 -3.32 105.19 102.59 1rac n GLY 51 Ca 0.00 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 1rac n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rac s GLU 52 N -1.75 2.91 0.00 1.61 0.41 -1.26 -0.90 118.70 119.72 1rac s GLU 52 Ca 0.65 -0.68 0.00 0.00 -0.41 0.00 0.00 54.97 54.53 1rac s GLU 52 Cb -0.50 -5.19 0.00 0.00 -1.78 0.00 0.00 34.13 26.67 1rac s GLU 52 CO 0.57 -3.05 0.00 -1.33 -0.49 0.00 0.00 175.26 170.96 1rac n MET 53 N 8.79 0.28 0.00 1.61 2.81 -1.26 -5.09 117.12 124.26 1rac n MET 53 Ca 0.39 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.28 1rac n MET 53 Cb 0.48 -0.15 0.00 0.00 -0.71 0.00 0.00 33.22 32.84 1rac n MET 53 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rac n GLY 54 N -0.17 1.88 3.93 3.03 0.00 -0.08 -4.85 105.19 108.93 1rac n GLY 54 Ca 0.00 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 1rac n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rac s ARG 55 N 0.00 3.47 0.31 1.61 0.52 -1.25 0.11 118.95 123.72 1rac s ARG 55 Ca 0.00 -0.44 -0.13 0.00 -0.52 0.00 0.00 55.73 54.64 1rac s ARG 55 Cb 0.00 -2.96 0.02 0.00 0.52 0.00 0.00 34.95 32.52 1rac s ARG 55 CO 0.00 0.53 0.61 -1.59 0.02 0.00 0.00 175.30 174.88 1rac s LYS 56 N -2.89 1.87 0.38 3.54 -2.85 -0.80 -4.84 119.74 114.15 1rac s LYS 56 Ca 0.36 -1.36 0.08 0.00 -1.00 0.00 0.00 55.97 54.05 1rac s LYS 56 Cb -0.12 0.54 -0.07 0.00 -2.06 0.00 0.00 37.83 36.11 1rac s LYS 56 CO 0.28 -0.82 -0.04 -0.51 0.10 0.00 0.00 175.35 174.36 1rac s ASP 57 N -3.06 3.77 -0.12 0.03 1.01 -0.34 -0.59 116.67 117.37 1rac s ASP 57 Ca 0.20 -1.29 -0.18 0.00 0.71 0.00 0.00 52.55 51.98 1rac s ASP 57 Cb -0.03 -0.37 0.04 0.00 1.01 0.00 0.00 42.92 43.58 1rac s ASP 57 CO 0.12 -0.35 0.47 -0.22 0.21 0.00 0.00 175.17 175.40 1rac s LEU 58 N -3.66 0.22 -0.04 1.23 0.20 -0.46 -2.92 118.68 113.26 1rac s LEU 58 Ca 0.34 0.73 0.02 0.00 0.69 0.00 0.00 54.13 55.91 1rac s LEU 58 Cb 0.07 1.68 0.01 0.00 -0.43 0.00 0.00 46.19 47.51 1rac s LEU 58 CO 0.17 -0.29 -0.09 -0.63 -0.29 0.00 0.00 176.35 175.23 1rac s ILE 59 N -0.30 0.79 -0.18 6.68 1.01 -0.47 -1.35 121.20 127.38 1rac s ILE 59 Ca -0.05 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.29 1rac s ILE 59 Cb -0.03 -0.73 0.03 0.00 0.01 0.00 0.00 42.46 41.74 1rac s ILE 59 CO 0.03 0.26 -0.14 -0.54 0.00 0.00 0.00 174.94 174.55 1rac s LYS 60 N 0.45 2.35 -0.31 2.79 1.02 0.71 -1.27 119.74 125.49 1rac s LYS 60 Ca -0.07 -0.78 -0.03 0.00 0.02 0.00 0.00 55.97 55.11 1rac s LYS 60 Cb -0.11 -2.37 0.05 0.00 -0.52 0.00 0.00 37.83 34.87 1rac s LYS 60 CO 0.01 -0.32 0.03 0.42 -0.92 0.00 0.00 175.35 174.56 1rac s ILE 61 N 1.38 3.14 0.52 2.17 1.01 0.00 -0.94 121.20 128.49 1rac s ILE 61 Ca 0.02 -1.36 -0.17 0.00 0.00 0.00 0.00 60.65 59.13 1rac s ILE 61 Cb -0.15 -2.82 -0.07 0.00 0.01 0.00 0.00 42.46 39.43 1rac s ILE 61 CO -0.10 -0.14 1.00 -1.61 0.00 0.00 0.00 174.94 174.09 1rac s GLU 62 N 1.28 3.85 0.00 2.79 2.02 -0.98 -0.45 118.70 127.21 1rac s GLU 62 Ca -0.04 1.05 0.00 0.00 0.02 0.00 0.00 54.97 56.00 1rac s GLU 62 Cb -0.20 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 31.91 1rac s GLU 62 CO -0.00 -0.35 0.00 0.09 0.02 0.00 0.00 175.26 175.01 1rac n ASN 63 N -1.51 -2.62 -4.48 -0.19 5.03 0.32 -4.69 115.26 107.13 1rac n ASN 63 Ca 0.07 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.20 1rac n ASN 63 Cb 0.54 -2.82 -0.13 0.00 -1.02 0.00 0.00 39.78 36.35 1rac n ASN 63 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1rac s THR 64 N -1.10 3.01 -0.09 3.41 2.01 -1.26 -4.95 115.64 116.68 1rac s THR 64 Ca 0.00 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.17 1rac s THR 64 Cb 0.00 -2.21 0.01 0.00 0.01 0.00 0.00 72.50 70.32 1rac s THR 64 CO 0.00 0.52 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.95 1rac s PHE 65 N -0.79 1.77 0.04 4.92 0.08 -1.26 -3.38 117.98 119.36 1rac s PHE 65 Ca 0.13 -0.76 0.09 0.00 0.12 0.00 0.00 56.93 56.50 1rac s PHE 65 Cb -0.11 -1.29 -0.03 0.00 -0.57 0.00 0.00 43.02 41.03 1rac s PHE 65 CO 0.02 -0.40 -0.26 -0.48 -0.10 0.00 0.00 175.22 174.01 1rac s LEU 66 N 0.88 2.21 0.00 -0.37 0.05 -1.26 -5.11 118.68 115.08 1rac s LEU 66 Ca -0.10 -0.56 -0.21 0.00 0.05 0.00 0.00 54.13 53.31 1rac s LEU 66 Cb -0.15 -1.31 0.07 0.00 -2.05 0.00 0.00 46.19 42.74 1rac s LEU 66 CO 0.01 0.26 0.98 -1.20 -0.55 0.00 0.00 176.35 175.85 1rac n SER 67 N 1.80 -1.34 0.00 1.48 7.64 -1.26 -4.79 113.62 117.15 1rac n SER 67 Ca -0.17 -1.59 0.00 0.00 1.01 0.00 0.00 58.87 58.13 1rac n SER 67 Cb 0.52 2.16 0.00 0.00 -1.01 0.00 0.00 64.21 65.88 1rac n SER 67 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1rac n GLU 68 N -0.69 0.00 0.10 1.43 4.71 -1.26 -2.00 120.64 122.93 1rac n GLU 68 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.19 1rac n GLU 68 Cb 0.51 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.93 1rac n GLU 68 CO 0.00 0.00 0.00 0.38 0.09 0.00 0.00 177.13 177.60 1rac h ASP 69 N 0.00 0.00 -0.93 1.62 3.04 -1.99 -3.18 116.42 114.98 1rac h ASP 69 Ca 0.00 0.00 0.01 0.00 -3.24 0.00 0.00 57.03 53.80 1rac h ASP 69 Cb 0.00 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.24 1rac h ASP 69 CO 0.00 0.38 0.62 1.56 -2.04 0.00 0.00 179.24 179.76 1rac h GLN 70 N 0.00 1.21 0.00 4.15 4.20 -1.77 -0.91 115.11 122.00 1rac h GLN 70 Ca -0.07 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 1rac h GLN 70 Cb 1.35 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 28.85 1rac h GLN 70 CO 0.04 0.80 -0.14 0.28 -0.67 0.00 0.00 178.83 179.14 1rac h VAL 71 N 1.25 1.08 0.00 -0.54 2.07 -1.75 -2.71 116.25 115.65 1rac h VAL 71 Ca 0.35 -0.48 -0.11 0.00 0.82 0.00 0.00 66.70 67.28 1rac h VAL 71 Cb -0.12 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1rac h VAL 71 CO -0.08 0.14 -0.64 0.44 0.02 0.00 0.00 177.57 177.44 1rac h ASP 72 N 0.00 0.00 0.64 0.57 3.32 -1.17 -2.85 116.42 116.92 1rac h ASP 72 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1rac h ASP 72 Cb 0.25 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1rac h ASP 72 CO 0.02 0.48 -0.09 1.56 -1.72 0.00 0.00 179.24 179.48 1rac h GLN 73 N 0.00 0.00 0.00 3.56 1.08 -1.01 -1.97 115.11 116.77 1rac h GLN 73 Ca -0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1rac h GLN 73 Cb 1.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.82 1rac h GLN 73 CO 0.06 0.09 0.00 -0.07 -0.95 0.00 0.00 178.83 177.96 1rac h LEU 74 N 0.00 0.00 -1.32 1.46 3.38 -1.51 -3.34 115.31 113.98 1rac h LEU 74 Ca -0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1rac h LEU 74 Cb 0.44 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1rac h LEU 74 CO 0.01 0.00 0.51 0.00 0.09 0.00 0.00 178.44 179.05 1rac h ALA 75 N 2.03 1.68 0.00 1.53 0.00 -1.46 0.13 119.26 123.16 1rac h ALA 75 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1rac h ALA 75 Cb 0.47 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1rac h ALA 75 CO 0.00 0.18 -0.17 -0.07 0.00 0.00 0.00 179.25 179.20 1rac h LEU 76 N 0.80 0.00 0.00 0.00 3.38 -1.80 -3.22 115.31 114.48 1rac h LEU 76 Ca 0.35 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.14 1rac h LEU 76 Cb 0.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1rac h LEU 76 CO -0.12 0.17 -1.67 -1.22 0.09 0.00 0.00 178.44 175.68 1rac n TYR 77 N -3.65 0.00 -3.18 1.13 4.02 -0.94 -4.85 117.16 109.69 1rac n TYR 77 Ca -0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.68 1rac n TYR 77 Cb 0.29 -0.47 -0.04 0.00 -0.02 0.00 0.00 39.34 39.11 1rac n TYR 77 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1rac n ALA 78 N -2.60 2.16 0.36 -0.72 0.00 0.41 -4.78 120.51 115.34 1rac n ALA 78 Ca -0.18 -3.45 0.14 0.00 0.00 0.00 0.00 53.44 49.94 1rac n ALA 78 Cb 0.77 -0.91 0.55 0.00 0.00 0.00 0.00 19.45 19.87 1rac n ALA 78 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1rac h PRO 79 N 3.15 0.00 -0.36 0.00 0.13 -1.69 -2.82 132.00 130.40 1rac h PRO 79 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1rac h PRO 79 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1rac h PRO 79 CO 0.51 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.32 1rac n GLN 80 N -2.61 2.89 -1.47 0.86 6.02 -1.26 -4.37 117.38 117.43 1rac n GLN 80 Ca 0.02 -2.15 -0.30 0.00 -0.01 0.00 0.00 57.00 54.56 1rac n GLN 80 Cb 0.28 -1.33 0.09 0.00 1.02 0.00 0.00 30.24 30.30 1rac n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rac s ALA 81 N -1.16 2.21 0.00 -1.58 0.00 -1.07 -4.82 121.76 115.34 1rac s ALA 81 Ca 0.26 -0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.21 1rac s ALA 81 Cb 0.15 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.10 1rac s ALA 81 CO 0.16 -1.75 -0.23 0.99 0.00 0.00 0.00 175.76 174.93 1rac s THR 82 N -3.07 1.82 -0.24 0.00 2.01 -0.02 -4.28 115.64 111.85 1rac s THR 82 Ca 0.61 -1.07 0.03 0.00 0.31 0.00 0.00 61.69 61.57 1rac s THR 82 Cb -0.15 -1.53 0.05 0.00 0.01 0.00 0.00 72.50 70.88 1rac s THR 82 CO 0.55 0.44 -0.12 -0.69 -0.69 0.00 0.00 174.62 174.11 1rac s VAL 83 N -0.61 2.12 -0.20 3.82 1.01 0.86 -1.99 120.40 125.42 1rac s VAL 83 Ca 0.09 -1.50 -0.10 0.00 0.00 0.00 0.00 61.98 60.47 1rac s VAL 83 Cb -0.09 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 1rac s VAL 83 CO -0.00 0.07 0.15 0.20 0.00 0.00 0.00 175.10 175.51 1rac s ASN 84 N 1.15 6.23 -0.16 3.32 0.01 0.57 -0.74 114.94 125.32 1rac s ASN 84 Ca -0.06 0.26 -0.05 0.00 -0.71 0.00 0.00 52.86 52.29 1rac s ASN 84 Cb -0.19 -2.10 -0.03 0.00 0.41 0.00 0.00 41.25 39.34 1rac s ASN 84 CO -0.06 0.17 0.00 -0.60 -1.51 0.00 0.00 177.10 175.10 1rac s ARG 85 N 0.37 3.76 -0.05 -0.60 3.52 0.89 -0.60 118.95 126.24 1rac s ARG 85 Ca 0.09 -0.44 0.02 0.00 -0.13 0.00 0.00 55.73 55.26 1rac s ARG 85 Cb -0.11 -3.03 0.02 0.00 -1.56 0.00 0.00 34.95 30.27 1rac s ARG 85 CO -0.01 0.28 -0.09 0.42 -0.81 0.00 0.00 175.30 175.09 1rac s ILE 86 N 0.29 0.85 -0.04 4.11 1.09 -0.48 -1.40 121.20 125.63 1rac s ILE 86 Ca -0.01 -0.31 0.01 0.00 -1.10 0.00 0.00 60.65 59.24 1rac s ILE 86 Cb -0.13 -0.81 0.02 0.00 -1.06 0.00 0.00 42.46 40.48 1rac s ILE 86 CO 0.02 0.29 -0.04 -0.62 -0.10 0.00 0.00 174.94 174.49 1rac s ASP 87 N 0.76 0.89 -1.26 3.58 2.15 0.05 -1.41 116.67 121.44 1rac s ASP 87 Ca -0.13 -0.12 -0.10 0.00 0.43 0.00 0.00 52.55 52.62 1rac s ASP 87 Cb -0.15 -0.43 -0.00 0.00 -0.30 0.00 0.00 42.92 42.03 1rac s ASP 87 CO 0.02 -0.05 0.65 -3.20 -0.17 0.00 0.00 175.17 172.42 1rac n ASN 88 N 3.99 -2.89 0.00 -0.34 4.05 -1.26 -0.34 115.26 118.47 1rac n ASN 88 Ca -0.25 -0.98 0.00 0.00 0.45 0.00 0.00 54.58 53.79 1rac n ASN 88 Cb 0.51 -3.38 0.00 0.00 1.23 0.00 0.00 39.78 38.14 1rac n ASN 88 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1rac n TYR 89 N -4.27 0.00 -5.25 1.20 4.01 -1.26 -4.99 117.16 106.60 1rac n TYR 89 Ca -0.20 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.23 1rac n TYR 89 Cb 0.64 -1.19 -0.16 0.00 -0.31 0.00 0.00 39.34 38.31 1rac n TYR 89 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1rac s GLU 90 N -0.97 2.29 -1.15 -0.72 0.41 0.53 -5.04 118.70 114.06 1rac s GLU 90 Ca 0.00 -0.89 -0.23 0.00 -0.41 0.00 0.00 54.97 53.44 1rac s GLU 90 Cb 0.00 -2.05 -0.11 0.00 -1.78 0.00 0.00 34.13 30.19 1rac s GLU 90 CO 0.00 0.44 1.94 0.28 -0.49 0.00 0.00 175.26 177.44 1rac n VAL 91 N 2.75 1.78 1.57 2.63 0.31 -1.26 -0.77 118.33 125.33 1rac n VAL 91 Ca -0.17 -1.84 0.10 0.00 -0.01 0.00 0.00 64.34 62.43 1rac n VAL 91 Cb 0.52 -2.17 0.59 0.00 -0.91 0.00 0.00 33.84 31.87 1rac n VAL 91 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1rac n VAL 92 N 7.78 0.00 -3.62 2.52 3.14 -0.49 -4.80 118.33 122.86 1rac n VAL 92 Ca 0.45 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.79 1rac n VAL 92 Cb 0.46 -0.50 -0.06 0.00 -1.06 0.00 0.00 33.84 32.68 1rac n VAL 92 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1rac s GLY 93 N -1.84 -0.44 -0.17 7.55 0.00 -0.93 -4.96 107.32 106.53 1rac s GLY 93 Ca 0.30 2.66 0.01 0.00 0.00 0.00 0.00 44.72 47.69 1rac s GLY 93 CO 0.23 2.67 -0.14 0.54 0.00 0.00 0.00 173.10 176.40 1rac s LYS 94 N 1.89 2.32 0.31 2.90 1.02 -1.26 -0.07 119.74 126.85 1rac s LYS 94 Ca -0.08 -0.68 0.08 0.00 0.02 0.00 0.00 55.97 55.31 1rac s LYS 94 Cb -0.06 -2.26 -0.06 0.00 -0.52 0.00 0.00 37.83 34.92 1rac s LYS 94 CO -0.18 -0.29 -0.08 0.45 -0.92 0.00 0.00 175.35 174.32 1rac s SER 95 N 1.43 3.27 0.13 2.83 0.15 0.09 -4.92 113.70 116.68 1rac s SER 95 Ca 0.03 -1.19 0.02 0.00 0.70 0.00 0.00 55.95 55.52 1rac s SER 95 Cb -0.14 -0.26 -0.04 0.00 -1.71 0.00 0.00 66.02 63.87 1rac s SER 95 CO -0.10 -0.26 -0.05 -0.13 1.20 0.00 0.00 173.24 173.90 1rac s ARG 96 N -3.66 0.96 0.55 5.44 0.52 -1.26 -0.10 118.95 121.40 1rac s ARG 96 Ca 0.31 -1.42 -0.05 0.00 -0.52 0.00 0.00 55.73 54.05 1rac s ARG 96 Cb 0.03 -0.31 -0.01 0.00 0.52 0.00 0.00 34.95 35.18 1rac s ARG 96 CO 0.14 -0.03 0.85 -2.14 0.02 0.00 0.00 175.30 174.14 1rac s PRO 97 N -3.84 3.16 0.02 3.54 0.02 -1.26 -4.89 135.00 131.74 1rac s PRO 97 Ca 0.16 0.06 -0.00 0.00 0.02 0.00 0.00 61.00 61.24 1rac s PRO 97 Cb 0.05 -2.32 -0.02 0.00 0.02 0.00 0.00 34.50 32.23 1rac s PRO 97 CO -0.01 -0.50 -0.02 -1.12 -0.33 0.00 0.00 177.00 175.01 1rac s SER 98 N -4.23 0.20 0.09 2.53 0.01 -1.26 -4.95 113.70 106.09 1rac s SER 98 Ca 0.51 -0.42 -0.32 0.00 1.31 0.00 0.00 55.95 57.04 1rac s SER 98 Cb -0.10 0.09 -0.11 0.00 0.21 0.00 0.00 66.02 66.11 1rac s SER 98 CO 0.45 -0.26 1.85 0.18 0.41 0.00 0.00 173.24 175.87 1rac n LEU 99 N 1.82 3.95 0.00 2.44 7.99 -1.26 -4.69 117.00 127.25 1rac n LEU 99 Ca -0.22 0.98 0.00 0.00 -0.01 0.00 0.00 56.01 56.75 1rac n LEU 99 Cb 0.56 -1.52 0.00 0.00 -0.11 0.00 0.00 43.42 42.35 1rac n LEU 99 CO 0.21 0.13 0.00 -0.81 -1.51 0.00 0.00 177.39 175.41 1rac n PRO 100 N 5.94 -0.33 0.00 3.23 -0.04 -1.26 -5.00 135.00 137.53 1rac n PRO 100 Ca 0.19 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.71 1rac n PRO 100 Cb 0.37 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.78 1rac n PRO 100 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1rac n GLU 101 N -1.15 2.43 -3.77 0.54 0.28 -1.26 -4.68 120.64 113.03 1rac n GLU 101 Ca 0.00 -0.30 -0.13 0.00 -0.16 0.00 0.00 57.16 56.58 1rac n GLU 101 Cb 0.00 -1.13 -0.12 0.00 1.43 0.00 0.00 31.44 31.62 1rac n GLU 101 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1rac s ARG 102 N -1.97 0.31 -0.30 3.44 3.52 -1.26 -2.68 118.95 120.02 1rac s ARG 102 Ca 0.07 0.42 0.03 0.00 -0.13 0.00 0.00 55.73 56.12 1rac s ARG 102 Cb 0.10 0.11 0.08 0.00 -1.56 0.00 0.00 34.95 33.69 1rac s ARG 102 CO 0.44 -0.06 0.00 0.42 -0.81 0.00 0.00 175.30 175.29 1rac s ILE 103 N 0.35 1.95 0.29 4.11 1.01 -1.14 -4.94 121.20 122.83 1rac s ILE 103 Ca -0.02 -1.88 -0.09 0.00 0.00 0.00 0.00 60.65 58.67 1rac s ILE 103 Cb -0.03 -2.31 -0.07 0.00 0.01 0.00 0.00 42.46 40.06 1rac s ILE 103 CO -0.01 -0.40 0.60 -1.81 0.00 0.00 0.00 174.94 173.32 1rac s ASP 104 N 1.12 6.56 0.00 3.58 1.11 -1.26 -3.39 116.67 124.39 1rac s ASP 104 Ca 0.03 0.92 0.00 0.00 0.18 0.00 0.00 52.55 53.68 1rac s ASP 104 Cb -0.19 -2.23 0.00 0.00 1.07 0.00 0.00 42.92 41.57 1rac s ASP 104 CO -0.09 -0.18 0.00 0.59 1.18 0.00 0.00 175.17 176.67 1rac n ASN 105 N -0.63 0.00 0.15 0.27 3.02 0.39 -4.66 115.26 113.80 1rac n ASN 105 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.66 1rac n ASN 105 Cb 0.53 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.76 1rac n ASN 105 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1rac h VAL 106 N 0.00 0.08 -1.39 2.41 2.07 -1.84 -3.41 116.25 114.17 1rac h VAL 106 Ca 0.00 -1.14 -0.43 0.00 0.82 0.00 0.00 66.70 65.95 1rac h VAL 106 Cb 0.00 1.78 0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1rac h VAL 106 CO 0.00 0.05 -0.23 -0.76 0.02 0.00 0.00 177.57 176.65 1rac s LEU 107 N -5.78 3.57 -0.04 2.57 1.43 -1.26 -5.11 118.68 114.06 1rac s LEU 107 Ca 0.02 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1rac s LEU 107 Cb 0.08 -2.52 0.02 0.00 0.03 0.00 0.00 46.19 43.80 1rac s LEU 107 CO 0.74 -0.86 -0.03 -0.69 0.23 0.00 0.00 176.35 175.75 1rac s VAL 108 N -2.41 0.42 0.12 -1.59 1.01 -1.26 -4.73 120.40 111.95 1rac s VAL 108 Ca 0.56 -0.05 -0.31 0.00 0.00 0.00 0.00 61.98 62.18 1rac s VAL 108 Cb -0.09 -0.47 -0.09 0.00 0.00 0.00 0.00 36.38 35.72 1rac s VAL 108 CO 0.34 0.20 1.66 0.00 0.00 0.00 0.00 175.10 177.30 1rac n PRO 110 N 4.98 0.24 -2.75 0.00 -0.04 -1.26 -4.68 135.00 131.49 1rac n PRO 110 Ca 0.16 0.05 -0.43 0.00 -0.04 0.00 0.00 63.50 63.24 1rac n PRO 110 Cb 0.39 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.32 1rac n PRO 110 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1rac s ASN 111 N -2.72 6.54 0.43 3.54 2.47 -1.26 -4.92 114.94 119.02 1rac s ASN 111 Ca 0.20 0.24 0.30 0.00 0.42 0.00 0.00 52.86 54.02 1rac s ASN 111 Cb 0.17 -2.48 1.35 0.00 -1.45 0.00 0.00 41.25 38.84 1rac s ASN 111 CO 0.42 -1.11 1.90 0.77 -3.72 0.00 0.00 177.10 175.36 1rac h SER 112 N 9.11 0.00 0.09 -4.21 4.64 -2.03 -1.83 113.55 119.33 1rac h SER 112 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1rac h SER 112 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1rac h SER 112 CO 1.06 0.00 -0.06 -3.20 -0.87 0.00 0.00 176.83 173.76 1rac n ASN 113 N -2.67 0.98 -4.77 4.97 5.15 -1.26 -4.88 115.26 112.78 1rac n ASN 113 Ca 0.00 -1.15 -0.40 0.00 -0.60 0.00 0.00 54.58 52.43 1rac n ASN 113 Cb 0.21 0.01 -0.01 0.00 -0.53 0.00 0.00 39.78 39.46 1rac n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rac h ILE 115 N 2.76 0.00 0.00 0.00 6.09 -1.89 -3.21 117.51 121.26 1rac h ILE 115 Ca -0.50 -0.75 0.00 0.00 -1.37 0.00 0.00 64.86 62.24 1rac h ILE 115 Cb 1.24 1.73 0.00 0.00 0.47 0.00 0.00 36.82 40.26 1rac h ILE 115 CO 0.64 0.00 0.00 0.77 -3.07 0.00 0.00 178.15 176.49 1rac h SER 116 N 0.00 0.00 0.40 2.19 4.64 -1.94 -2.89 113.55 115.95 1rac h SER 116 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1rac h SER 116 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1rac h SER 116 CO 0.00 0.00 -0.19 0.45 -0.87 0.00 0.00 176.83 176.22 1rac h HIS 117 N 0.00 -0.50 0.00 4.77 3.86 -1.95 -3.30 115.15 118.03 1rac h HIS 117 Ca 0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1rac h HIS 117 Cb 0.10 0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1rac h HIS 117 CO 0.00 -0.17 0.00 0.00 0.86 0.00 0.00 177.93 178.62 1rac n ALA 118 N -2.57 1.77 -2.45 2.45 0.00 -1.09 -4.94 120.51 113.68 1rac n ALA 118 Ca -0.10 0.01 -0.23 0.00 0.00 0.00 0.00 53.44 53.12 1rac n ALA 118 Cb 0.29 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.29 1rac n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1rac s GLU 119 N -3.15 1.61 -0.01 0.00 0.41 -1.24 -5.00 118.70 111.32 1rac s GLU 119 Ca 0.07 -1.73 -0.02 0.00 -0.41 0.00 0.00 54.97 52.89 1rac s GLU 119 Cb 0.10 -1.66 -0.07 0.00 -1.78 0.00 0.00 34.13 30.72 1rac s GLU 119 CO 0.37 0.31 1.30 -0.35 -0.49 0.00 0.00 175.26 176.40 1rac n PRO 120 N -0.53 0.51 -4.29 0.39 -0.04 -1.26 -4.74 135.00 125.04 1rac n PRO 120 Ca -0.06 -0.27 -0.21 0.00 -0.04 0.00 0.00 63.50 62.93 1rac n PRO 120 Cb 0.60 -1.64 -0.11 0.00 -0.04 0.00 0.00 33.50 32.31 1rac n PRO 120 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1rac s VAL 121 N 2.53 1.63 0.20 0.52 -7.23 -1.26 -5.15 120.40 111.64 1rac s VAL 121 Ca 0.17 -1.80 -0.19 0.00 -1.81 0.00 0.00 61.98 58.36 1rac s VAL 121 Cb 0.08 -1.69 -0.08 0.00 0.56 0.00 0.00 36.38 35.25 1rac s VAL 121 CO -0.00 -0.32 0.68 -0.44 -0.31 0.00 0.00 175.10 174.71 1rac s SER 122 N -2.49 7.01 0.67 4.85 0.01 -1.26 -5.02 113.70 117.48 1rac s SER 122 Ca 0.12 1.34 -0.16 0.00 1.31 0.00 0.00 55.95 58.57 1rac s SER 122 Cb -0.06 -2.39 0.01 0.00 0.21 0.00 0.00 66.02 63.79 1rac s SER 122 CO 0.05 0.06 1.15 -0.94 0.41 0.00 0.00 173.24 173.97 1rac s SER 123 N -1.63 4.84 -0.23 2.44 1.04 -1.26 -4.81 113.70 114.09 1rac s SER 123 Ca 0.41 2.17 -0.19 0.00 0.48 0.00 0.00 55.95 58.82 1rac s SER 123 Cb -0.17 -2.57 0.06 0.00 0.10 0.00 0.00 66.02 63.44 1rac s SER 123 CO 0.21 -1.82 0.59 -0.55 0.98 0.00 0.00 173.24 172.65 1rac s SER 124 N -2.24 -0.65 -0.05 7.02 0.15 -1.26 -0.46 113.70 116.21 1rac s SER 124 Ca 0.71 1.22 0.00 0.00 0.70 0.00 0.00 55.95 58.58 1rac s SER 124 Cb -0.25 1.21 0.02 0.00 -1.71 0.00 0.00 66.02 65.29 1rac s SER 124 CO 0.41 -0.21 -0.02 -0.36 1.20 0.00 0.00 173.24 174.26 1rac s PHE 125 N 0.56 0.61 0.04 3.44 0.08 -1.22 -1.35 117.98 120.14 1rac s PHE 125 Ca -0.02 -0.14 -0.30 0.00 0.12 0.00 0.00 56.93 56.59 1rac s PHE 125 Cb -0.05 -0.62 -0.05 0.00 -0.57 0.00 0.00 43.02 41.74 1rac s PHE 125 CO -0.03 -0.20 1.13 0.00 -0.10 0.00 0.00 175.22 176.02 1rac s ALA 126 N 1.16 3.32 0.27 5.36 0.00 -0.06 -2.87 121.76 128.93 1rac s ALA 126 Ca -0.08 0.73 -0.12 0.00 0.00 0.00 0.00 51.96 52.49 1rac s ALA 126 Cb -0.14 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.49 1rac s ALA 126 CO -0.01 -0.38 0.64 0.08 0.00 0.00 0.00 175.76 176.08 1rac s VAL 127 N 1.10 4.80 0.19 0.00 1.01 -1.09 -1.34 120.40 125.07 1rac s VAL 127 Ca 0.56 0.72 -0.23 0.00 0.00 0.00 0.00 61.98 63.03 1rac s VAL 127 Cb -0.26 -3.63 0.05 0.00 0.00 0.00 0.00 36.38 32.54 1rac s VAL 127 CO 0.28 -0.10 0.76 0.00 0.00 0.00 0.00 175.10 176.05 1rac s ARG 128 N -2.83 1.43 -0.38 2.72 1.70 -0.55 -4.88 118.95 116.17 1rac s ARG 128 Ca 0.50 -0.72 -0.13 0.00 -0.47 0.00 0.00 55.73 54.91 1rac s ARG 128 Cb -0.11 0.54 0.02 0.00 -0.57 0.00 0.00 34.95 34.82 1rac s ARG 128 CO 0.19 -0.65 0.51 1.17 -1.08 0.00 0.00 175.30 175.44 1rac n LYS 129 N -0.42 -2.19 -1.69 3.89 4.81 -1.26 -2.34 118.16 118.95 1rac n LYS 129 Ca -0.08 1.99 -0.39 0.00 -0.87 0.00 0.00 58.31 58.96 1rac n LYS 129 Cb 0.61 -5.22 0.04 0.00 0.02 0.00 0.00 35.03 30.47 1rac n LYS 129 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1rac n ARG 130 N -0.27 1.50 -0.06 1.64 1.74 -1.26 -2.60 116.66 117.35 1rac n ARG 130 Ca 0.10 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 1rac n ARG 130 Cb 0.39 -2.38 0.00 0.00 -1.02 0.00 0.00 32.46 29.44 1rac n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rac n ALA 131 N -1.01 0.00 -0.04 7.54 0.00 -1.26 -4.35 120.51 121.39 1rac n ALA 131 Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.57 1rac n ALA 131 Cb 0.44 -0.01 -0.15 0.00 0.00 0.00 0.00 19.45 19.72 1rac n ALA 131 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1rac n ASN 132 N 0.63 0.46 0.00 0.00 0.23 -1.26 -5.00 115.26 110.31 1rac n ASN 132 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1rac n ASN 132 Cb 0.00 1.56 0.00 0.00 -2.08 0.00 0.00 39.78 39.26 1rac n ASN 132 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1rac n ASP 133 N -2.37 0.00 0.00 0.53 9.92 -1.25 -5.15 116.55 118.23 1rac n ASP 133 Ca -0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 1rac n ASP 133 Cb 0.73 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.21 1rac n ASP 133 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1rac n ILE 134 N 0.00 0.00 -4.54 0.53 2.08 -1.07 -4.67 119.36 111.69 1rac n ILE 134 Ca 0.00 0.00 -0.33 0.00 0.56 0.00 0.00 62.75 62.98 1rac n ILE 134 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 39.64 38.78 1rac n ILE 134 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1rac s ALA 135 N 0.00 2.97 -0.13 -1.39 0.00 -0.99 -0.65 121.76 121.58 1rac s ALA 135 Ca 0.00 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1rac s ALA 135 Cb 0.00 -1.13 0.02 0.00 0.00 0.00 0.00 23.12 22.01 1rac s ALA 135 CO 0.00 0.60 -0.14 -0.51 0.00 0.00 0.00 175.76 175.71 1rac s LEU 136 N -1.21 1.67 -0.19 0.00 1.43 -0.70 -1.48 118.68 118.20 1rac s LEU 136 Ca 0.15 -0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 52.76 1rac s LEU 136 Cb -0.11 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 1rac s LEU 136 CO 0.05 -0.03 -0.01 -0.75 0.23 0.00 0.00 176.35 175.85 1rac s LYS 137 N 1.27 3.63 0.29 1.70 2.20 -0.45 -1.38 119.74 127.00 1rac s LYS 137 Ca -0.00 -0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 54.79 1rac s LYS 137 Cb -0.14 -3.04 -0.10 0.00 -1.51 0.00 0.00 37.83 33.04 1rac s LYS 137 CO -0.06 0.06 1.29 0.00 -0.36 0.00 0.00 175.35 176.28 1rac h LYS 139 N 3.94 0.45 0.00 0.00 3.64 -1.58 -2.54 116.57 120.49 1rac h LYS 139 Ca -0.48 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1rac h LYS 139 Cb 1.22 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1rac h LYS 139 CO 0.69 0.30 -0.06 1.88 -2.27 0.00 0.00 179.45 179.99 1rac h TYR 140 N 0.47 0.00 -0.00 1.91 0.05 -1.91 -3.40 116.97 114.09 1rac h TYR 140 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.03 1rac h TYR 140 Cb 0.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.95 1rac h TYR 140 CO -0.12 0.00 -0.29 0.00 -1.05 0.00 0.00 178.16 176.70 1rac n GLU 142 N -1.18 -3.93 -3.68 0.00 1.02 -0.95 -4.99 120.64 106.93 1rac n GLU 142 Ca 0.09 0.50 -0.37 0.00 -0.02 0.00 0.00 57.16 57.36 1rac n GLU 142 Cb 0.33 -5.27 -0.06 0.00 -0.02 0.00 0.00 31.44 26.42 1rac n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1rac s LYS 143 N -6.36 3.72 -0.18 3.49 -0.14 -1.26 -4.84 119.74 114.17 1rac s LYS 143 Ca 0.54 0.13 -0.04 0.00 -1.36 0.00 0.00 55.97 55.24 1rac s LYS 143 Cb -0.28 -3.22 -0.02 0.00 -1.68 0.00 0.00 37.83 32.62 1rac s LYS 143 CO 0.67 0.70 -0.03 -2.00 -0.76 0.00 0.00 175.35 173.93 1rac s GLU 144 N -0.93 3.60 0.43 1.68 2.12 -1.26 -2.15 118.70 122.18 1rac s GLU 144 Ca 0.19 -0.54 0.05 0.00 0.36 0.00 0.00 54.97 55.02 1rac s GLU 144 Cb -0.14 -2.97 -0.06 0.00 0.26 0.00 0.00 34.13 31.23 1rac s GLU 144 CO 0.08 0.11 0.02 -0.06 -0.54 0.00 0.00 175.26 174.87 1rac s PHE 145 N 0.72 2.23 0.12 5.30 0.08 -0.48 -4.94 117.98 121.01 1rac s PHE 145 Ca -0.01 -0.82 -0.24 0.00 0.12 0.00 0.00 56.93 55.98 1rac s PHE 145 Cb -0.14 -1.63 -0.07 0.00 -0.57 0.00 0.00 43.02 40.60 1rac s PHE 145 CO 0.02 0.29 0.73 0.45 -0.10 0.00 0.00 175.22 176.61 1rac s SER 146 N -3.72 7.29 0.20 1.36 0.15 -1.26 -1.73 113.70 115.99 1rac s SER 146 Ca 0.27 1.53 -0.10 0.00 0.70 0.00 0.00 55.95 58.34 1rac s SER 146 Cb 0.07 -2.46 0.25 0.00 -1.71 0.00 0.00 66.02 62.17 1rac s SER 146 CO 0.13 0.18 1.76 1.12 1.20 0.00 0.00 173.24 177.63 1rac h HIS 147 N 4.65 0.44 -0.94 3.44 2.07 -1.15 0.40 115.15 124.06 1rac h HIS 147 Ca -0.47 0.03 0.14 0.00 -2.85 0.00 0.00 60.37 57.22 1rac h HIS 147 Cb 1.21 -0.11 -0.08 0.00 2.57 0.00 0.00 27.41 31.00 1rac h HIS 147 CO 0.65 0.15 0.60 -2.95 -3.07 0.00 0.00 177.93 173.31 1rac h ASN 148 N 0.45 0.77 0.05 3.10 -1.07 -1.94 -0.15 115.58 116.80 1rac h ASN 148 Ca 0.29 0.05 -0.00 0.00 0.07 0.00 0.00 56.30 56.71 1rac h ASN 148 Cb 0.32 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 36.46 1rac h ASN 148 CO -0.27 0.39 -0.02 0.58 0.07 0.00 0.00 177.43 178.18 1rac h VAL 149 N 0.82 1.11 -0.29 6.14 2.07 -1.31 -0.94 116.25 123.85 1rac h VAL 149 Ca 0.48 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1rac h VAL 149 Cb 0.64 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1rac h VAL 149 CO -0.24 0.13 0.03 0.58 0.02 0.00 0.00 177.57 178.09 1rac h VAL 150 N -0.30 1.16 0.00 2.57 2.07 -0.82 -1.46 116.25 119.47 1rac h VAL 150 Ca -0.01 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1rac h VAL 150 Cb 0.27 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1rac h VAL 150 CO 0.01 0.20 0.00 -0.07 0.02 0.00 0.00 177.57 177.74 1rac h LEU 151 N 0.41 0.00 -0.02 2.57 3.38 -0.97 -3.22 115.31 117.47 1rac h LEU 151 Ca 0.10 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1rac h LEU 151 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1rac h LEU 151 CO 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 178.44 178.33 1rac h ALA 152 N 2.02 0.05 0.00 1.53 0.00 -0.04 -3.50 119.26 119.32 1rac h ALA 152 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1rac h ALA 152 Cb 0.74 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1rac h ALA 152 CO 0.00 0.05 0.00 -1.71 0.00 0.00 0.00 179.25 177.59