#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nbe s THR 2 N 0.00 3.13 -0.22 1.12 2.01 -1.26 -5.10 115.64 115.32 1nbe s THR 2 Ca 0.00 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.38 1nbe s THR 2 Cb 0.00 -2.33 0.05 0.00 0.01 0.00 0.00 72.50 70.23 1nbe s THR 2 CO 0.00 0.51 -0.08 -1.00 -0.69 0.00 0.00 174.62 173.37 1nbe s HIS 3 N 0.47 2.45 -0.10 4.92 0.09 -1.26 -5.08 115.29 116.78 1nbe s HIS 3 Ca -0.09 -1.72 0.04 0.00 -0.00 0.00 0.00 55.06 53.30 1nbe s HIS 3 Cb -0.16 -1.62 0.00 0.00 -0.00 0.00 0.00 32.58 30.80 1nbe s HIS 3 CO 0.04 -0.77 -0.24 0.34 -0.00 0.00 0.00 174.74 174.12 1nbe s ASP 4 N 1.38 3.07 -0.17 1.40 2.15 -1.26 -5.04 116.67 118.21 1nbe s ASP 4 Ca -0.04 -0.56 0.17 0.00 0.43 0.00 0.00 52.55 52.55 1nbe s ASP 4 Cb -0.18 -1.40 0.49 0.00 -0.30 0.00 0.00 42.92 41.53 1nbe s ASP 4 CO -0.07 0.15 1.39 -3.20 -0.17 0.00 0.00 175.17 173.27 1nbe n ASN 5 N 3.56 3.68 0.03 -0.34 5.15 -1.26 -4.46 115.26 121.62 1nbe n ASN 5 Ca -0.19 -2.98 0.00 0.00 -0.60 0.00 0.00 54.58 50.81 1nbe n ASN 5 Cb 0.53 -0.52 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 1nbe n ASN 5 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1nbe n LYS 6 N -0.56 0.00 -3.23 1.20 5.02 -1.26 -4.87 118.16 114.46 1nbe n LYS 6 Ca 0.20 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 56.03 1nbe n LYS 6 Cb 0.84 -0.13 -0.04 0.00 -0.02 0.00 0.00 35.03 35.68 1nbe n LYS 6 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nbe s LEU 7 N -5.76 6.05 0.28 -0.35 1.02 -1.26 -5.03 118.68 113.62 1nbe s LEU 7 Ca 0.00 -2.00 -0.10 0.00 0.02 0.00 0.00 54.13 52.06 1nbe s LEU 7 Cb 0.00 -2.25 -0.07 0.00 0.02 0.00 0.00 46.19 43.89 1nbe s LEU 7 CO 0.00 -0.86 0.61 -1.10 0.02 0.00 0.00 176.35 175.02 1nbe s GLN 8 N 1.55 3.80 -0.18 1.70 1.11 -1.26 -4.83 119.66 121.55 1nbe s GLN 8 Ca 0.13 0.31 0.00 0.00 0.01 0.00 0.00 55.36 55.81 1nbe s GLN 8 Cb -0.20 -2.58 0.01 0.00 -1.01 0.00 0.00 33.01 29.23 1nbe s GLN 8 CO -0.01 0.23 -0.16 0.08 0.01 0.00 0.00 175.29 175.44 1nbe s VAL 9 N -1.96 2.47 0.75 1.09 1.01 -1.26 -5.12 120.40 117.38 1nbe s VAL 9 Ca 0.48 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 1nbe s VAL 9 Cb -0.11 -2.05 0.05 0.00 0.00 0.00 0.00 36.38 34.27 1nbe s VAL 9 CO 0.23 0.51 1.18 -1.83 0.00 0.00 0.00 175.10 175.20 1nbe s GLU 10 N 1.13 2.07 0.02 2.72 1.03 -1.26 -5.01 118.70 119.41 1nbe s GLU 10 Ca 0.01 1.65 0.08 0.00 0.03 0.00 0.00 54.97 56.74 1nbe s GLU 10 Cb -0.14 -1.84 -0.03 0.00 -0.80 0.00 0.00 34.13 31.32 1nbe s GLU 10 CO -0.06 -1.86 -0.22 0.00 -1.33 0.00 0.00 175.26 171.79 1nbe s ALA 11 N -2.17 2.41 0.85 -0.84 0.00 -1.26 -5.15 121.76 115.60 1nbe s ALA 11 Ca 0.72 -1.18 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 1nbe s ALA 11 Cb -0.27 -0.65 0.10 0.00 0.00 0.00 0.00 23.12 22.31 1nbe s ALA 11 CO 0.47 0.55 1.16 0.96 0.00 0.00 0.00 175.76 178.90 1nbe s ILE 12 N -0.80 2.08 -0.15 0.00 -4.36 -1.26 -5.03 121.20 111.69 1nbe s ILE 12 Ca 0.12 0.02 -0.15 0.00 -0.26 0.00 0.00 60.65 60.39 1nbe s ILE 12 Cb -0.10 -2.91 -0.12 0.00 1.25 0.00 0.00 42.46 40.58 1nbe s ILE 12 CO 0.02 -0.03 0.22 0.50 0.24 0.00 0.00 174.94 175.89 1nbe h LYS 13 N -1.24 0.00 -5.00 0.37 3.64 -1.95 -3.41 116.57 108.98 1nbe h LYS 13 Ca -0.48 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 58.59 1nbe h LYS 13 Cb 1.33 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.99 1nbe h LYS 13 CO 0.64 0.51 -0.72 0.50 -2.27 0.00 0.00 179.45 178.11 1nbe s ARG 14 N -2.08 0.99 0.00 1.90 3.52 -1.26 -1.46 118.95 120.56 1nbe s ARG 14 Ca -0.15 -1.38 0.00 0.00 -0.13 0.00 0.00 55.73 54.07 1nbe s ARG 14 Cb 0.01 -0.55 0.00 0.00 -1.56 0.00 0.00 34.95 32.85 1nbe s ARG 14 CO 0.38 0.07 0.00 0.41 -0.81 0.00 0.00 175.30 175.34 1nbe n GLY 15 N -0.02 0.41 2.96 8.12 0.00 -0.56 -1.78 105.19 114.32 1nbe n GLY 15 Ca -0.12 -1.92 -0.17 0.00 0.00 0.00 0.00 46.02 43.81 1nbe n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nbe s THR 16 N -1.24 0.51 -0.33 2.61 2.01 -0.16 -1.40 115.64 117.64 1nbe s THR 16 Ca 0.00 -0.23 -0.06 0.00 0.31 0.00 0.00 61.69 61.71 1nbe s THR 16 Cb 0.00 -0.46 0.04 0.00 0.01 0.00 0.00 72.50 72.09 1nbe s THR 16 CO 0.00 0.16 0.09 -0.69 -0.69 0.00 0.00 174.62 173.50 1nbe s VAL 17 N 0.12 3.74 -0.86 3.82 1.01 -0.56 -0.97 120.40 126.71 1nbe s VAL 17 Ca -0.01 -1.10 -0.18 0.00 0.00 0.00 0.00 61.98 60.69 1nbe s VAL 17 Cb -0.06 -3.10 0.14 0.00 0.00 0.00 0.00 36.38 33.36 1nbe s VAL 17 CO -0.00 -0.14 1.00 -0.63 0.00 0.00 0.00 175.10 175.33 1nbe s ILE 18 N 1.40 4.88 0.46 2.22 1.01 0.88 -1.15 121.20 130.90 1nbe s ILE 18 Ca -0.01 -1.61 -0.00 0.00 0.00 0.00 0.00 60.65 59.02 1nbe s ILE 18 Cb -0.19 -4.68 -0.00 0.00 0.01 0.00 0.00 42.46 37.59 1nbe s ILE 18 CO 0.02 -1.37 0.69 -0.62 0.00 0.00 0.00 174.94 173.66 1nbe s ASP 19 N 3.35 5.82 -1.08 3.58 2.15 -0.40 -2.00 116.67 128.08 1nbe s ASP 19 Ca 0.27 0.33 -0.15 0.00 0.43 0.00 0.00 52.55 53.42 1nbe s ASP 19 Cb -0.09 -1.55 -0.03 0.00 -0.30 0.00 0.00 42.92 40.95 1nbe s ASP 19 CO -0.06 -0.73 0.82 1.41 -0.17 0.00 0.00 175.17 176.44 1nbe n HIS 20 N -2.12 -2.12 -3.77 -5.34 8.25 -1.25 -0.44 115.22 108.43 1nbe n HIS 20 Ca 0.02 0.60 -0.36 0.00 -0.26 0.00 0.00 57.72 57.72 1nbe n HIS 20 Cb 0.58 -3.64 -0.09 0.00 1.12 0.00 0.00 29.99 27.95 1nbe n HIS 20 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1nbe s ILE 21 N -3.41 5.15 0.54 1.59 1.01 -0.96 -3.26 121.20 121.87 1nbe s ILE 21 Ca 0.44 0.10 -0.22 0.00 0.00 0.00 0.00 60.65 60.97 1nbe s ILE 21 Cb -0.13 -3.37 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 1nbe s ILE 21 CO 0.82 0.40 1.35 -2.16 0.00 0.00 0.00 174.94 175.35 1nbe s PRO 22 N 0.75 3.19 0.71 2.79 0.04 -1.26 -0.04 135.00 141.18 1nbe s PRO 22 Ca 0.06 2.22 -0.16 0.00 0.04 0.00 0.00 61.00 63.16 1nbe s PRO 22 Cb -0.13 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 1nbe s PRO 22 CO 0.02 -1.14 0.59 0.00 0.04 0.00 0.00 177.00 176.51 1nbe n ALA 23 N -0.97 -1.29 -0.12 8.56 0.00 -1.23 -2.39 120.51 123.08 1nbe n ALA 23 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1nbe n ALA 23 Cb 0.45 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1nbe n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1nbe n GLN 24 N -0.84 0.00 -0.05 0.00 1.13 -1.26 -4.75 117.38 111.61 1nbe n GLN 24 Ca 0.11 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 55.08 1nbe n GLN 24 Cb 0.50 -3.14 -0.15 0.00 0.11 0.00 0.00 30.24 27.56 1nbe n GLN 24 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1nbe n ILE 25 N -2.00 1.49 0.26 5.09 2.08 -1.01 -4.26 119.36 121.02 1nbe n ILE 25 Ca 0.00 -0.82 0.15 0.00 0.56 0.00 0.00 62.75 62.64 1nbe n ILE 25 Cb 0.00 -0.77 0.68 0.00 -0.75 0.00 0.00 39.64 38.79 1nbe n ILE 25 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1nbe h GLY 26 N 3.73 0.00 0.69 7.39 0.00 -1.86 0.12 103.07 113.14 1nbe h GLY 26 Ca -0.39 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.59 1nbe h GLY 26 CO 0.06 0.00 -1.94 0.33 0.00 0.00 0.00 176.54 174.99 1nbe n PHE 27 N -3.02 1.17 0.20 5.60 7.35 -1.26 -2.64 117.46 124.85 1nbe n PHE 27 Ca 0.01 0.29 -0.16 0.00 -0.76 0.00 0.00 57.45 56.83 1nbe n PHE 27 Cb 0.57 -1.17 -0.08 0.00 0.35 0.00 0.00 39.48 39.15 1nbe n PHE 27 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1nbe h LYS 28 N 0.05 -0.75 -0.78 -4.13 3.64 -1.02 0.53 116.57 114.12 1nbe h LYS 28 Ca -0.39 0.05 0.17 0.00 -1.27 0.00 0.00 60.65 59.21 1nbe h LYS 28 Cb 2.03 0.17 -0.14 0.00 -0.41 0.00 0.00 32.23 33.88 1nbe h LYS 28 CO 0.08 -0.50 -0.07 -0.07 -2.27 0.00 0.00 179.45 176.63 1nbe h LEU 29 N -0.78 -0.50 -0.05 5.20 3.38 -1.41 0.67 115.31 121.84 1nbe h LEU 29 Ca -0.01 0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.20 1nbe h LEU 29 Cb 0.73 0.41 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 1nbe h LEU 29 CO -0.14 -0.22 -0.12 -0.07 0.09 0.00 0.00 178.44 177.98 1nbe h LEU 30 N 0.06 -0.35 0.47 1.67 3.38 -0.90 -2.38 115.31 117.26 1nbe h LEU 30 Ca 0.41 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.42 1nbe h LEU 30 Cb 0.71 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1nbe h LEU 30 CO -0.74 -0.16 -0.23 0.28 0.09 0.00 0.00 178.44 177.68 1nbe h SER 31 N -0.18 -0.54 -0.87 -0.43 0.02 0.12 -2.60 113.55 109.08 1nbe h SER 31 Ca 0.06 0.02 0.23 0.00 -0.84 0.00 0.00 61.79 61.25 1nbe h SER 31 Cb 0.26 0.14 -0.15 0.00 0.14 0.00 0.00 62.40 62.79 1nbe h SER 31 CO -0.15 -0.22 0.15 -0.07 -1.14 0.00 0.00 176.83 175.40 1nbe h LEU 32 N -0.98 -0.15 -2.61 5.07 3.38 0.20 -1.48 115.31 118.75 1nbe h LEU 32 Ca -0.07 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1nbe h LEU 32 Cb 0.49 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1nbe h LEU 32 CO 0.11 -0.19 0.00 0.49 0.09 0.00 0.00 178.44 178.94 1nbe n PHE 33 N -5.29 0.67 -3.72 1.13 3.01 -0.90 -4.89 117.46 107.47 1nbe n PHE 33 Ca 0.20 -0.41 -0.33 0.00 1.01 0.00 0.00 57.45 57.92 1nbe n PHE 33 Cb 0.65 -0.01 0.04 0.00 -0.01 0.00 0.00 39.48 40.15 1nbe n PHE 33 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1nbe n LYS 34 N 1.26 -1.08 0.07 -1.08 5.02 -0.56 -4.90 118.16 116.89 1nbe n LYS 34 Ca 0.19 0.44 0.13 0.00 -2.02 0.00 0.00 58.31 57.06 1nbe n LYS 34 Cb 0.55 -3.85 0.46 0.00 -0.02 0.00 0.00 35.03 32.16 1nbe n LYS 34 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1nbe n LEU 35 N -4.17 0.54 0.03 -0.35 4.77 -0.99 -3.53 117.00 113.30 1nbe n LEU 35 Ca -0.10 0.52 0.01 0.00 -0.03 0.00 0.00 56.01 56.40 1nbe n LEU 35 Cb 0.59 -0.37 -0.08 0.00 -2.33 0.00 0.00 43.42 41.23 1nbe n LEU 35 CO 0.68 -0.11 -0.30 0.35 -1.33 0.00 0.00 177.39 176.67 1nbe n THR 36 N -1.99 1.14 -0.54 -5.08 -2.24 -1.26 -4.53 114.28 99.77 1nbe n THR 36 Ca 0.06 -0.68 -0.16 0.00 -2.27 0.00 0.00 64.05 60.99 1nbe n THR 36 Cb 0.40 -0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 67.92 1nbe n THR 36 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nbe n GLU 37 N -2.86 1.49 -3.69 -0.78 1.02 -1.23 -4.69 120.64 109.90 1nbe n GLU 37 Ca -0.10 -1.20 -0.12 0.00 -0.02 0.00 0.00 57.16 55.72 1nbe n GLU 37 Cb 0.82 -2.34 -0.07 0.00 -0.02 0.00 0.00 31.44 29.84 1nbe n GLU 37 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1nbe s THR 38 N 3.90 0.06 -0.23 2.62 -1.32 -1.26 -5.06 115.64 114.35 1nbe s THR 38 Ca 0.29 -0.51 0.19 0.00 -1.21 0.00 0.00 61.69 60.45 1nbe s THR 38 Cb 0.07 -0.95 0.06 0.00 -1.51 0.00 0.00 72.50 70.17 1nbe s THR 38 CO -0.02 -0.28 1.21 -2.24 -2.21 0.00 0.00 174.62 171.08 1nbe h ASP 39 N 3.05 0.00 -3.38 8.08 2.03 -1.97 -3.47 116.42 120.75 1nbe h ASP 39 Ca -0.31 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.42 1nbe h ASP 39 Cb 1.20 0.00 0.18 0.00 -0.83 0.00 0.00 39.33 39.88 1nbe h ASP 39 CO 0.44 0.27 -0.15 0.00 -1.03 0.00 0.00 179.24 178.76 1nbe n GLN 40 N -2.96 0.53 -2.44 4.15 1.13 -1.26 -4.86 117.38 111.67 1nbe n GLN 40 Ca -0.01 0.22 -0.43 0.00 -1.94 0.00 0.00 57.00 54.84 1nbe n GLN 40 Cb 0.66 -1.98 -0.02 0.00 0.11 0.00 0.00 30.24 29.01 1nbe n GLN 40 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1nbe s ARG 41 N -2.75 3.60 0.27 -1.09 3.52 -1.26 -4.87 118.95 116.37 1nbe s ARG 41 Ca 0.71 0.76 0.06 0.00 -0.13 0.00 0.00 55.73 57.13 1nbe s ARG 41 Cb -0.38 -3.99 -0.03 0.00 -1.56 0.00 0.00 34.95 28.98 1nbe s ARG 41 CO 0.52 -1.54 0.31 0.42 -0.81 0.00 0.00 175.30 174.21 1nbe s ILE 42 N 5.15 4.52 -0.08 4.11 1.01 -1.26 -1.64 121.20 133.01 1nbe s ILE 42 Ca 0.56 -1.19 -0.04 0.00 0.00 0.00 0.00 60.65 59.97 1nbe s ILE 42 Cb -0.11 -3.53 0.04 0.00 0.01 0.00 0.00 42.46 38.87 1nbe s ILE 42 CO 0.32 -0.28 0.19 -0.89 0.00 0.00 0.00 174.94 174.27 1nbe s THR 43 N -2.12 -0.04 0.08 2.92 2.01 -0.24 -4.99 115.64 113.27 1nbe s THR 43 Ca 0.36 0.13 0.07 0.00 0.31 0.00 0.00 61.69 62.57 1nbe s THR 43 Cb -0.08 -0.29 -0.03 0.00 0.01 0.00 0.00 72.50 72.10 1nbe s THR 43 CO 0.28 0.05 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.44 1nbe s ILE 44 N 0.98 1.49 -0.06 1.82 1.01 -1.26 -0.58 121.20 124.60 1nbe s ILE 44 Ca -0.07 -1.40 -0.01 0.00 0.00 0.00 0.00 60.65 59.17 1nbe s ILE 44 Cb -0.09 -1.37 0.03 0.00 0.01 0.00 0.00 42.46 41.04 1nbe s ILE 44 CO -0.06 -0.07 0.01 -0.83 0.00 0.00 0.00 174.94 173.99 1nbe s GLY 45 N -1.73 0.38 -0.06 6.18 0.00 0.71 -5.01 107.32 107.80 1nbe s GLY 45 Ca 0.04 -0.01 0.04 0.00 0.00 0.00 0.00 44.72 44.79 1nbe s GLY 45 CO 0.03 1.02 -0.17 1.08 0.00 0.00 0.00 173.10 175.07 1nbe s LEU 46 N 1.74 2.56 -1.14 0.66 1.43 -1.26 -0.56 118.68 122.11 1nbe s LEU 46 Ca 0.01 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 1nbe s LEU 46 Cb -0.13 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.58 1nbe s LEU 46 CO -0.04 0.31 0.00 0.59 0.23 0.00 0.00 176.35 177.44 1nbe n ASN 47 N 2.56 -4.67 -4.74 2.29 3.02 0.12 -4.95 115.26 108.89 1nbe n ASN 47 Ca -0.17 0.26 -0.42 0.00 -0.03 0.00 0.00 54.58 54.23 1nbe n ASN 47 Cb 0.52 -3.11 -0.02 0.00 -0.61 0.00 0.00 39.78 36.56 1nbe n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1nbe s LEU 48 N -2.43 4.35 0.44 3.41 1.43 0.61 -4.33 118.68 122.16 1nbe s LEU 48 Ca 0.00 2.92 -0.16 0.00 -1.03 0.00 0.00 54.13 55.86 1nbe s LEU 48 Cb 0.00 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.51 1nbe s LEU 48 CO 0.00 -0.92 0.89 -2.16 0.23 0.00 0.00 176.35 174.39 1nbe s PRO 49 N -0.13 3.97 -0.36 1.29 0.04 -1.26 0.24 135.00 138.79 1nbe s PRO 49 Ca 0.66 0.83 -0.03 0.00 0.04 0.00 0.00 61.00 62.50 1nbe s PRO 49 Cb -0.48 -2.25 0.19 0.00 0.04 0.00 0.00 34.50 32.00 1nbe s PRO 49 CO 0.44 -0.11 0.90 -1.12 0.04 0.00 0.00 177.00 177.15 1nbe s SER 50 N -2.80 -0.77 0.25 6.66 0.01 -1.06 -4.89 113.70 111.11 1nbe s SER 50 Ca 0.57 -0.41 0.21 0.00 1.31 0.00 0.00 55.95 57.63 1nbe s SER 50 Cb -0.10 0.98 0.81 0.00 0.21 0.00 0.00 66.02 67.92 1nbe s SER 50 CO 0.26 -0.08 0.77 0.61 0.41 0.00 0.00 173.24 175.20 1nbe n GLY 51 N 3.90 -0.46 0.00 3.44 0.00 -1.26 -1.44 105.19 109.37 1nbe n GLY 51 Ca 0.08 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1nbe n GLY 51 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1nbe n GLU 52 N -3.21 0.00 0.00 1.61 0.28 -1.26 -2.78 120.64 115.28 1nbe n GLU 52 Ca 0.21 0.30 0.00 0.00 -0.16 0.00 0.00 57.16 57.51 1nbe n GLU 52 Cb 0.91 -1.56 0.00 0.00 1.43 0.00 0.00 31.44 32.22 1nbe n GLU 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1nbe n MET 53 N -1.28 0.00 0.00 3.44 0.00 -0.52 -5.11 117.12 113.64 1nbe n MET 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1nbe n MET 53 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 33.22 33.25 1nbe n MET 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1nbe n GLY 54 N 0.00 0.91 3.31 3.17 0.00 -0.94 -4.89 105.19 106.75 1nbe n GLY 54 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 1nbe n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nbe s ARG 55 N 0.00 1.86 0.23 1.61 0.52 -1.26 -2.56 118.95 119.35 1nbe s ARG 55 Ca 0.00 -0.98 -0.02 0.00 -0.52 0.00 0.00 55.73 54.21 1nbe s ARG 55 Cb 0.00 -1.91 -0.03 0.00 0.52 0.00 0.00 34.95 33.53 1nbe s ARG 55 CO 0.00 0.51 0.22 -1.59 0.02 0.00 0.00 175.30 174.46 1nbe s LYS 56 N -0.90 1.35 0.26 3.54 -2.85 0.14 -3.46 119.74 117.82 1nbe s LYS 56 Ca 0.10 -1.62 0.10 0.00 -1.00 0.00 0.00 55.97 53.56 1nbe s LYS 56 Cb -0.10 0.32 -0.05 0.00 -2.06 0.00 0.00 37.83 35.95 1nbe s LYS 56 CO 0.01 -0.48 -0.09 -0.51 0.10 0.00 0.00 175.35 174.38 1nbe s ASP 57 N -3.16 4.16 -0.26 0.03 1.01 0.94 0.13 116.67 119.51 1nbe s ASP 57 Ca 0.36 -0.77 -0.11 0.00 0.71 0.00 0.00 52.55 52.74 1nbe s ASP 57 Cb 0.05 -0.63 0.10 0.00 1.01 0.00 0.00 42.92 43.45 1nbe s ASP 57 CO 0.14 0.03 0.59 -0.22 0.21 0.00 0.00 175.17 175.92 1nbe s LEU 58 N -3.50 -0.88 -0.11 1.23 2.96 0.27 -2.25 118.68 116.41 1nbe s LEU 58 Ca 0.30 1.38 0.03 0.00 -0.22 0.00 0.00 54.13 55.62 1nbe s LEU 58 Cb -0.06 2.05 0.01 0.00 0.50 0.00 0.00 46.19 48.68 1nbe s LEU 58 CO 0.17 -0.22 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.13 1nbe s ILE 59 N 2.31 1.91 -0.11 6.68 1.01 -0.85 -0.21 121.20 131.94 1nbe s ILE 59 Ca -0.07 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.67 1nbe s ILE 59 Cb -0.10 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 1nbe s ILE 59 CO -0.17 0.53 -0.13 -0.54 0.00 0.00 0.00 174.94 174.62 1nbe s LYS 60 N 0.54 3.22 -0.17 2.79 1.02 0.25 -0.08 119.74 127.31 1nbe s LYS 60 Ca -0.15 -0.68 0.01 0.00 0.02 0.00 0.00 55.97 55.17 1nbe s LYS 60 Cb -0.17 -2.59 0.03 0.00 -0.52 0.00 0.00 37.83 34.58 1nbe s LYS 60 CO 0.05 0.30 -0.15 0.42 -0.92 0.00 0.00 175.35 175.05 1nbe s ILE 61 N 0.12 1.75 0.25 2.17 1.01 -0.14 -1.08 121.20 125.28 1nbe s ILE 61 Ca -0.06 -0.83 -0.30 0.00 0.00 0.00 0.00 60.65 59.46 1nbe s ILE 61 Cb -0.15 -1.66 -0.09 0.00 0.01 0.00 0.00 42.46 40.57 1nbe s ILE 61 CO 0.05 0.41 0.98 -0.70 0.00 0.00 0.00 174.94 175.68 1nbe s GLU 62 N 1.40 4.79 -1.39 2.79 2.12 -0.65 -0.99 118.70 126.77 1nbe s GLU 62 Ca 0.03 1.58 -0.05 0.00 0.36 0.00 0.00 54.97 56.89 1nbe s GLU 62 Cb -0.14 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.01 1nbe s GLU 62 CO -0.11 0.43 0.40 0.09 -0.54 0.00 0.00 175.26 175.53 1nbe n ASN 63 N 1.39 -0.96 -3.68 -1.70 3.02 -0.74 -4.56 115.26 108.03 1nbe n ASN 63 Ca -0.02 -1.09 -0.11 0.00 -0.03 0.00 0.00 54.58 53.34 1nbe n ASN 63 Cb 0.46 -2.70 -0.09 0.00 -0.61 0.00 0.00 39.78 36.84 1nbe n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1nbe s THR 64 N -3.95 -0.01 0.14 3.41 2.01 -1.26 -4.93 115.64 111.06 1nbe s THR 64 Ca 0.10 0.03 0.10 0.00 0.31 0.00 0.00 61.69 62.22 1nbe s THR 64 Cb -0.04 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 1nbe s THR 64 CO 0.91 0.01 -0.22 -0.36 -0.69 0.00 0.00 174.62 174.27 1nbe s PHE 65 N 0.89 2.02 -0.04 4.92 0.40 -1.26 -2.52 117.98 122.39 1nbe s PHE 65 Ca -0.05 -0.41 -0.00 0.00 -0.60 0.00 0.00 56.93 55.87 1nbe s PHE 65 Cb -0.05 -1.06 -0.04 0.00 0.51 0.00 0.00 43.02 42.38 1nbe s PHE 65 CO -0.07 0.32 0.01 -0.51 0.70 0.00 0.00 175.22 175.67 1nbe s LEU 66 N -2.26 3.60 0.87 -0.37 1.43 -1.26 -5.07 118.68 115.62 1nbe s LEU 66 Ca 0.13 0.08 -0.13 0.00 -1.03 0.00 0.00 54.13 53.18 1nbe s LEU 66 Cb -0.09 -1.98 0.12 0.00 0.03 0.00 0.00 46.19 44.28 1nbe s LEU 66 CO 0.06 0.32 1.19 -0.94 0.23 0.00 0.00 176.35 177.21 1nbe s SER 67 N -1.32 3.93 0.25 2.29 1.04 -1.26 -4.84 113.70 113.79 1nbe s SER 67 Ca 0.18 0.73 -0.05 0.00 0.48 0.00 0.00 55.95 57.28 1nbe s SER 67 Cb -0.11 -1.15 0.31 0.00 0.10 0.00 0.00 66.02 65.17 1nbe s SER 67 CO 0.08 -2.26 1.89 1.05 0.98 0.00 0.00 173.24 174.98 1nbe h GLU 68 N -1.30 1.16 0.88 4.02 4.11 -2.00 -1.77 114.58 119.69 1nbe h GLU 68 Ca -0.47 -0.07 -0.04 0.00 0.07 0.00 0.00 59.36 58.85 1nbe h GLU 68 Cb 1.31 -0.26 0.01 0.00 0.50 0.00 0.00 28.75 30.31 1nbe h GLU 68 CO 0.59 0.77 -0.42 -0.44 0.07 0.00 0.00 179.01 179.58 1nbe h ASP 69 N 1.20 -1.00 -1.00 3.06 3.32 -2.01 -2.63 116.42 117.36 1nbe h ASP 69 Ca 0.38 0.03 0.23 0.00 0.02 0.00 0.00 57.03 57.70 1nbe h ASP 69 Cb 0.02 0.26 -0.12 0.00 0.22 0.00 0.00 39.33 39.70 1nbe h ASP 69 CO -0.13 -0.65 0.60 1.56 -1.72 0.00 0.00 179.24 178.90 1nbe h GLN 70 N -1.30 0.60 -0.59 3.56 4.20 -1.88 0.12 115.11 119.81 1nbe h GLN 70 Ca -0.12 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.45 1nbe h GLN 70 Cb 0.91 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 1nbe h GLN 70 CO 0.20 0.40 -0.03 0.28 -0.67 0.00 0.00 178.83 179.00 1nbe h VAL 71 N 0.62 1.27 -0.23 -0.54 2.07 -1.27 -3.17 116.25 115.00 1nbe h VAL 71 Ca 0.63 -1.19 0.03 0.00 0.82 0.00 0.00 66.70 67.00 1nbe h VAL 71 Cb 1.16 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1nbe h VAL 71 CO -0.46 0.43 0.16 0.44 0.02 0.00 0.00 177.57 178.16 1nbe h ASP 72 N 0.96 0.14 0.07 0.57 3.32 -0.58 -2.69 116.42 118.20 1nbe h ASP 72 Ca 0.16 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1nbe h ASP 72 Cb 0.60 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1nbe h ASP 72 CO 0.04 0.10 0.00 0.00 -1.72 0.00 0.00 179.24 177.65 1nbe n GLN 73 N -4.49 0.06 0.00 3.56 1.13 -1.19 -0.58 117.38 115.86 1nbe n GLN 73 Ca 0.02 0.53 0.12 0.00 -1.94 0.00 0.00 57.00 55.73 1nbe n GLN 73 Cb 0.19 -1.68 0.30 0.00 0.11 0.00 0.00 30.24 29.16 1nbe n GLN 73 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1nbe n LEU 74 N -1.80 0.67 -0.28 1.08 4.77 -1.01 -4.10 117.00 116.33 1nbe n LEU 74 Ca -0.00 -0.09 0.09 0.00 -0.03 0.00 0.00 56.01 55.98 1nbe n LEU 74 Cb 0.04 -0.21 0.24 0.00 -2.33 0.00 0.00 43.42 41.16 1nbe n LEU 74 CO 0.05 0.15 0.97 0.00 -1.33 0.00 0.00 177.39 177.23 1nbe h ALA 75 N 3.23 1.16 0.00 -1.18 0.00 -1.02 -0.96 119.26 120.49 1nbe h ALA 75 Ca 0.00 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1nbe h ALA 75 Cb 0.50 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1nbe h ALA 75 CO 0.00 -0.36 -0.28 -0.07 0.00 0.00 0.00 179.25 178.54 1nbe h LEU 76 N 0.30 0.00 0.00 0.00 3.38 -1.79 -3.03 115.31 114.17 1nbe h LEU 76 Ca 0.49 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.36 1nbe h LEU 76 Cb 0.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1nbe h LEU 76 CO -0.55 0.28 -1.29 -1.22 0.09 0.00 0.00 178.44 175.75 1nbe n TYR 77 N -3.49 0.00 -3.54 1.13 4.01 -0.48 -4.78 117.16 110.01 1nbe n TYR 77 Ca -0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.45 1nbe n TYR 77 Cb 0.44 -0.59 -0.09 0.00 -0.31 0.00 0.00 39.34 38.80 1nbe n TYR 77 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nbe n ALA 78 N -4.39 3.94 -0.04 -0.72 0.00 -0.52 -4.93 120.51 113.86 1nbe n ALA 78 Ca -0.22 -4.71 0.24 0.00 0.00 0.00 0.00 53.44 48.75 1nbe n ALA 78 Cb 0.58 -1.04 0.72 0.00 0.00 0.00 0.00 19.45 19.71 1nbe n ALA 78 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1nbe h PRO 79 N 4.64 0.00 -0.38 0.00 0.13 -1.59 -0.53 132.00 134.28 1nbe h PRO 79 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1nbe h PRO 79 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1nbe h PRO 79 CO 0.83 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.60 1nbe n GLN 80 N -3.92 3.01 -2.04 0.86 -0.00 -1.26 -4.14 117.38 109.89 1nbe n GLN 80 Ca 0.13 -2.43 -0.38 0.00 -0.00 0.00 0.00 57.00 54.32 1nbe n GLN 80 Cb 0.81 -1.54 0.01 0.00 -0.00 0.00 0.00 30.24 29.52 1nbe n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1nbe s ALA 81 N -1.66 3.06 -0.29 2.61 0.00 -0.21 -4.84 121.76 120.43 1nbe s ALA 81 Ca 0.34 1.18 -0.04 0.00 0.00 0.00 0.00 51.96 53.43 1nbe s ALA 81 Cb 0.22 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.89 1nbe s ALA 81 CO 0.16 -0.92 0.03 0.00 0.00 0.00 0.00 175.76 175.02 1nbe s ALA 82 N -1.35 2.90 -0.65 0.00 0.00 0.42 -4.04 121.76 119.04 1nbe s ALA 82 Ca 0.63 -1.58 -0.21 0.00 0.00 0.00 0.00 51.96 50.79 1nbe s ALA 82 Cb -0.36 -2.00 0.09 0.00 0.00 0.00 0.00 23.12 20.85 1nbe s ALA 82 CO 0.45 -1.05 0.88 0.08 0.00 0.00 0.00 175.76 176.11 1nbe s VAL 83 N 1.38 4.52 -0.50 0.00 1.01 -0.21 -1.28 120.40 125.32 1nbe s VAL 83 Ca -0.01 -0.65 -0.22 0.00 0.00 0.00 0.00 61.98 61.10 1nbe s VAL 83 Cb -0.18 -4.62 0.04 0.00 0.00 0.00 0.00 36.38 31.62 1nbe s VAL 83 CO -0.00 -1.34 0.77 0.20 0.00 0.00 0.00 175.10 174.73 1nbe s ASN 84 N 3.66 6.32 0.50 3.32 0.01 -0.30 -1.56 114.94 126.88 1nbe s ASN 84 Ca 0.19 -0.46 -0.20 0.00 -0.71 0.00 0.00 52.86 51.67 1nbe s ASN 84 Cb -0.19 -2.37 -0.08 0.00 0.41 0.00 0.00 41.25 39.03 1nbe s ASN 84 CO 0.08 -1.00 1.06 -0.60 -1.51 0.00 0.00 177.10 175.13 1nbe s ARG 85 N 3.27 3.71 -0.04 -0.60 3.52 0.57 -1.50 118.95 127.88 1nbe s ARG 85 Ca 0.25 1.42 -0.04 0.00 -0.13 0.00 0.00 55.73 57.22 1nbe s ARG 85 Cb -0.15 -2.08 0.01 0.00 -1.56 0.00 0.00 34.95 31.17 1nbe s ARG 85 CO 0.18 -0.52 0.12 0.42 -0.81 0.00 0.00 175.30 174.69 1nbe s ILE 86 N -1.93 0.01 -0.22 4.11 1.01 -0.49 -2.27 121.20 121.42 1nbe s ILE 86 Ca 0.68 -0.10 -0.13 0.00 0.00 0.00 0.00 60.65 61.10 1nbe s ILE 86 Cb -0.18 -0.21 0.07 0.00 0.01 0.00 0.00 42.46 42.15 1nbe s ILE 86 CO 0.22 -0.05 0.54 -0.62 0.00 0.00 0.00 174.94 175.02 1nbe s ASP 87 N -0.13 -0.69 -0.91 3.58 2.15 -0.94 -1.49 116.67 118.24 1nbe s ASP 87 Ca -0.02 1.17 -0.01 0.00 0.43 0.00 0.00 52.55 54.12 1nbe s ASP 87 Cb -0.02 1.06 0.00 0.00 -0.30 0.00 0.00 42.92 43.66 1nbe s ASP 87 CO 0.00 -0.21 0.76 0.59 -0.17 0.00 0.00 175.17 176.14 1nbe n ASN 88 N 4.08 -2.33 0.00 -0.34 3.02 -0.97 -3.23 115.26 115.49 1nbe n ASN 88 Ca -0.21 -0.46 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 1nbe n ASN 88 Cb 0.57 -3.95 0.00 0.00 -0.61 0.00 0.00 39.78 35.79 1nbe n ASN 88 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1nbe n TYR 89 N -3.43 0.00 -3.87 3.10 4.02 -0.53 -4.96 117.16 111.49 1nbe n TYR 89 Ca -0.20 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.58 1nbe n TYR 89 Cb 0.62 -1.19 -0.10 0.00 -0.02 0.00 0.00 39.34 38.65 1nbe n TYR 89 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1nbe s GLU 90 N -0.97 0.45 -0.42 -0.72 0.41 -1.20 -5.00 118.70 111.25 1nbe s GLU 90 Ca 0.00 -0.35 -0.29 0.00 -0.41 0.00 0.00 54.97 53.92 1nbe s GLU 90 Cb 0.00 0.19 -0.08 0.00 -1.78 0.00 0.00 34.13 32.45 1nbe s GLU 90 CO 0.00 -0.10 2.34 0.28 -0.49 0.00 0.00 175.26 177.28 1nbe n VAL 91 N 1.60 0.11 0.09 2.63 0.31 -1.26 -2.22 118.33 119.59 1nbe n VAL 91 Ca -0.22 -0.52 0.04 0.00 -0.01 0.00 0.00 64.34 63.63 1nbe n VAL 91 Cb 0.56 -2.31 0.21 0.00 -0.91 0.00 0.00 33.84 31.39 1nbe n VAL 91 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1nbe n VAL 92 N 7.73 1.34 0.00 2.52 3.14 -0.96 -4.88 118.33 127.22 1nbe n VAL 92 Ca 0.38 -0.70 0.00 0.00 -2.96 0.00 0.00 64.34 61.06 1nbe n VAL 92 Cb 0.41 -0.32 0.00 0.00 -1.06 0.00 0.00 33.84 32.87 1nbe n VAL 92 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1nbe n GLY 93 N 0.40 4.01 3.95 7.55 0.00 -1.24 -4.94 105.19 114.92 1nbe n GLY 93 Ca 0.14 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 1nbe n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nbe s LYS 94 N -2.80 3.08 -0.21 1.61 2.20 -1.26 -0.32 119.74 122.03 1nbe s LYS 94 Ca 0.00 -1.03 -0.24 0.00 -0.36 0.00 0.00 55.97 54.33 1nbe s LYS 94 Cb 0.00 -2.74 0.06 0.00 -1.51 0.00 0.00 37.83 33.64 1nbe s LYS 94 CO 0.00 0.16 0.66 -1.12 -0.36 0.00 0.00 175.35 174.69 1nbe s SER 95 N -4.08 -0.68 0.20 1.43 0.01 -0.60 -4.89 113.70 105.09 1nbe s SER 95 Ca 0.41 1.22 0.08 0.00 1.31 0.00 0.00 55.95 58.97 1nbe s SER 95 Cb -0.08 1.21 -0.04 0.00 0.21 0.00 0.00 66.02 67.31 1nbe s SER 95 CO 0.29 -0.30 -0.03 -0.60 0.41 0.00 0.00 173.24 173.01 1nbe s ARG 96 N 0.06 2.26 -0.38 12.44 3.52 -1.26 -1.04 118.95 134.56 1nbe s ARG 96 Ca -0.02 -1.25 -0.29 0.00 -0.13 0.00 0.00 55.73 54.04 1nbe s ARG 96 Cb -0.04 -2.24 0.00 0.00 -1.56 0.00 0.00 34.95 31.12 1nbe s ARG 96 CO 0.02 0.42 1.42 -2.14 -0.81 0.00 0.00 175.30 174.22 1nbe s PRO 97 N -3.11 3.64 -0.06 5.12 0.02 -1.26 -4.89 135.00 134.47 1nbe s PRO 97 Ca 0.28 1.06 -0.15 0.00 0.02 0.00 0.00 61.00 62.20 1nbe s PRO 97 Cb -0.08 -4.00 -0.05 0.00 0.02 0.00 0.00 34.50 30.38 1nbe s PRO 97 CO 0.18 -1.48 0.41 -1.12 -0.33 0.00 0.00 177.00 174.66 1nbe s SER 98 N 3.82 6.72 -0.02 2.53 0.01 -1.26 -4.77 113.70 120.72 1nbe s SER 98 Ca 0.62 0.85 -0.30 0.00 1.31 0.00 0.00 55.95 58.43 1nbe s SER 98 Cb -0.15 -2.25 -0.06 0.00 0.21 0.00 0.00 66.02 63.77 1nbe s SER 98 CO 0.31 0.20 1.67 -0.22 0.41 0.00 0.00 173.24 175.61 1nbe s LEU 99 N -0.38 4.34 0.82 2.44 2.96 -1.26 -4.48 118.68 123.12 1nbe s LEU 99 Ca 0.23 2.31 -0.12 0.00 -0.22 0.00 0.00 54.13 56.33 1nbe s LEU 99 Cb -0.16 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.07 1nbe s LEU 99 CO 0.11 -0.92 1.12 -2.16 -1.32 0.00 0.00 176.35 173.18 1nbe s PRO 100 N 3.74 1.93 0.13 0.98 0.04 -1.26 -4.96 135.00 135.60 1nbe s PRO 100 Ca 0.74 0.43 0.24 0.00 0.04 0.00 0.00 61.00 62.45 1nbe s PRO 100 Cb -0.35 -1.92 0.36 0.00 0.04 0.00 0.00 34.50 32.63 1nbe s PRO 100 CO 0.31 -1.68 1.35 1.05 0.04 0.00 0.00 177.00 178.07 1nbe h GLU 101 N -1.12 0.00 -2.79 4.56 -0.00 -1.93 -3.42 114.58 109.87 1nbe h GLU 101 Ca -0.47 0.00 -0.11 0.00 -0.00 0.00 0.00 59.36 58.77 1nbe h GLU 101 Cb 1.29 0.00 -0.22 0.00 -0.00 0.00 0.00 28.75 29.82 1nbe h GLU 101 CO 0.62 0.00 -0.21 0.50 -0.00 0.00 0.00 179.01 179.92 1nbe s ARG 102 N -3.17 0.61 -0.15 1.06 3.52 -1.26 -0.79 118.95 118.78 1nbe s ARG 102 Ca 0.06 0.24 -0.01 0.00 -0.13 0.00 0.00 55.73 55.89 1nbe s ARG 102 Cb 0.13 0.28 0.04 0.00 -1.56 0.00 0.00 34.95 33.84 1nbe s ARG 102 CO 0.71 -0.13 -0.03 0.42 -0.81 0.00 0.00 175.30 175.46 1nbe s ILE 103 N -0.53 0.89 0.58 4.11 1.01 0.26 -4.92 121.20 122.61 1nbe s ILE 103 Ca -0.06 -0.44 0.10 0.00 0.00 0.00 0.00 60.65 60.24 1nbe s ILE 103 Cb -0.04 -1.09 0.10 0.00 0.01 0.00 0.00 42.46 41.44 1nbe s ILE 103 CO 0.03 0.14 0.80 0.47 0.00 0.00 0.00 174.94 176.38 1nbe n ASP 104 N 4.95 2.13 0.00 3.58 8.00 -1.26 -1.04 116.55 132.91 1nbe n ASP 104 Ca -0.11 -2.55 0.00 0.00 0.71 0.00 0.00 54.79 52.84 1nbe n ASP 104 Cb 0.48 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1nbe n ASP 104 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1nbe n ASN 105 N -2.32 0.00 -0.00 -2.24 4.13 -0.93 -4.33 115.26 109.56 1nbe n ASN 105 Ca 0.16 0.00 0.01 0.00 1.68 0.00 0.00 54.58 56.43 1nbe n ASN 105 Cb 0.60 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.83 1nbe n ASN 105 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1nbe n VAL 106 N 0.29 0.00 -2.94 2.41 0.24 -1.26 -4.85 118.33 112.23 1nbe n VAL 106 Ca 0.00 -0.06 -0.22 0.00 -2.04 0.00 0.00 64.34 62.02 1nbe n VAL 106 Cb 0.00 0.49 0.02 0.00 -1.47 0.00 0.00 33.84 32.88 1nbe n VAL 106 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1nbe s LEU 107 N -3.06 3.57 0.04 1.34 1.43 -1.26 -5.10 118.68 115.64 1nbe s LEU 107 Ca -0.01 0.12 0.08 0.00 -1.03 0.00 0.00 54.13 53.29 1nbe s LEU 107 Cb 0.01 -3.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 1nbe s LEU 107 CO 0.07 -0.80 -0.22 -0.69 0.23 0.00 0.00 176.35 174.94 1nbe s VAL 108 N -2.57 1.79 -0.07 -1.59 1.01 -1.26 -4.77 120.40 112.94 1nbe s VAL 108 Ca 0.51 -1.22 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 1nbe s VAL 108 Cb -0.10 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 1nbe s VAL 108 CO 0.37 0.27 1.11 0.00 0.00 0.00 0.00 175.10 176.86 1nbe h PRO 110 N 7.26 0.00 -6.36 0.00 0.13 -1.92 -3.43 132.00 127.68 1nbe h PRO 110 Ca -0.33 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.23 1nbe h PRO 110 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 1nbe h PRO 110 CO 0.86 0.00 1.08 1.21 -0.23 0.00 0.00 178.00 180.92 1nbe s ASN 111 N -4.88 6.42 0.43 1.44 2.47 -1.26 -4.88 114.94 114.67 1nbe s ASN 111 Ca 0.01 1.29 0.10 0.00 0.42 0.00 0.00 52.86 54.67 1nbe s ASN 111 Cb 0.09 -2.54 0.93 0.00 -1.45 0.00 0.00 41.25 38.28 1nbe s ASN 111 CO 0.42 -1.28 2.03 0.28 -3.72 0.00 0.00 177.10 174.83 1nbe h SER 112 N 10.46 0.29 0.43 -4.21 0.02 -2.04 -2.38 113.55 116.12 1nbe h SER 112 Ca -0.30 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1nbe h SER 112 Cb 1.13 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1nbe h SER 112 CO 1.03 0.28 -0.25 -3.20 -1.14 0.00 0.00 176.83 173.56 1nbe n ASN 113 N -4.42 0.59 -4.71 3.07 5.15 -1.26 -4.88 115.26 108.80 1nbe n ASN 113 Ca 0.00 -0.47 -0.42 0.00 -0.60 0.00 0.00 54.58 53.10 1nbe n ASN 113 Cb 0.14 0.03 -0.03 0.00 -0.53 0.00 0.00 39.78 39.38 1nbe n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1nbe h ILE 115 N 4.25 0.55 0.00 0.00 6.09 -1.89 -2.86 117.51 123.66 1nbe h ILE 115 Ca -0.43 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.06 1nbe h ILE 115 Cb 1.20 0.96 0.00 0.00 0.47 0.00 0.00 36.82 39.45 1nbe h ILE 115 CO 0.93 0.00 0.30 0.77 -3.07 0.00 0.00 178.15 177.08 1nbe h SER 116 N 0.00 0.00 -0.24 2.19 4.64 -1.94 -2.88 113.55 115.32 1nbe h SER 116 Ca 0.02 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 1nbe h SER 116 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1nbe h SER 116 CO -0.00 0.00 -0.05 0.45 -0.87 0.00 0.00 176.83 176.36 1nbe h HIS 117 N 0.00 0.52 -0.32 4.77 3.86 -1.88 -3.33 115.15 118.77 1nbe h HIS 117 Ca 0.00 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1nbe h HIS 117 Cb 0.59 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.94 1nbe h HIS 117 CO 0.00 0.68 0.00 0.00 0.86 0.00 0.00 177.93 179.47 1nbe n ALA 118 N -2.38 2.42 -2.58 2.45 0.00 -1.09 -5.02 120.51 114.31 1nbe n ALA 118 Ca -0.04 -0.94 -0.22 0.00 0.00 0.00 0.00 53.44 52.24 1nbe n ALA 118 Cb 0.29 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 18.85 1nbe n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nbe s GLU 119 N -1.54 2.53 0.00 0.00 0.41 -1.22 -5.00 118.70 113.88 1nbe s GLU 119 Ca 0.36 -1.39 -0.02 0.00 -0.41 0.00 0.00 54.97 53.51 1nbe s GLU 119 Cb 0.22 -2.31 -0.09 0.00 -1.78 0.00 0.00 34.13 30.17 1nbe s GLU 119 CO 0.30 0.19 2.25 -2.30 -0.49 0.00 0.00 175.26 175.22 1nbe n PRO 120 N -1.17 1.17 -5.19 0.39 -0.02 -1.26 -4.82 135.00 124.09 1nbe n PRO 120 Ca -0.04 -0.32 -0.32 0.00 -2.02 0.00 0.00 63.50 60.80 1nbe n PRO 120 Cb 0.60 -1.40 -0.16 0.00 -0.02 0.00 0.00 33.50 32.53 1nbe n PRO 120 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1nbe s VAL 121 N 0.68 2.29 0.03 -1.45 -7.23 -1.26 -5.10 120.40 108.36 1nbe s VAL 121 Ca 0.22 -1.00 -0.30 0.00 -1.81 0.00 0.00 61.98 59.08 1nbe s VAL 121 Cb 0.10 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 1nbe s VAL 121 CO 0.00 0.58 0.99 -0.44 -0.31 0.00 0.00 175.10 175.92 1nbe s SER 122 N -0.46 7.38 0.97 4.85 0.01 -1.26 -5.00 113.70 120.19 1nbe s SER 122 Ca 0.05 1.72 -0.11 0.00 1.31 0.00 0.00 55.95 58.92 1nbe s SER 122 Cb -0.12 -2.57 0.17 0.00 0.21 0.00 0.00 66.02 63.71 1nbe s SER 122 CO 0.01 -0.23 1.09 -0.94 0.41 0.00 0.00 173.24 173.58 1nbe s SER 123 N 0.78 2.69 -0.28 2.44 1.04 -1.26 -4.81 113.70 114.30 1nbe s SER 123 Ca 0.51 1.74 -0.15 0.00 0.48 0.00 0.00 55.95 58.54 1nbe s SER 123 Cb -0.22 -2.36 0.10 0.00 0.10 0.00 0.00 66.02 63.64 1nbe s SER 123 CO 0.29 -3.17 0.73 -0.55 0.98 0.00 0.00 173.24 171.52 1nbe s SER 124 N -2.94 -0.91 0.06 7.02 0.15 -1.26 -2.19 113.70 113.64 1nbe s SER 124 Ca 0.66 1.41 0.08 0.00 0.70 0.00 0.00 55.95 58.80 1nbe s SER 124 Cb -0.21 1.50 -0.03 0.00 -1.71 0.00 0.00 66.02 65.57 1nbe s SER 124 CO 0.59 -0.22 -0.22 -0.36 1.20 0.00 0.00 173.24 174.23 1nbe s PHE 125 N 1.80 1.92 0.00 3.44 0.40 -0.20 -1.56 117.98 123.78 1nbe s PHE 125 Ca -0.09 -0.39 -0.10 0.00 -0.60 0.00 0.00 56.93 55.75 1nbe s PHE 125 Cb -0.06 -1.12 -0.05 0.00 0.51 0.00 0.00 43.02 42.30 1nbe s PHE 125 CO -0.19 0.13 0.33 0.00 0.70 0.00 0.00 175.22 176.19 1nbe s ALA 126 N -0.88 3.77 0.04 5.36 0.00 -0.86 -0.57 121.76 128.62 1nbe s ALA 126 Ca 0.08 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.65 1nbe s ALA 126 Cb -0.09 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 1nbe s ALA 126 CO 0.03 0.56 0.06 0.08 0.00 0.00 0.00 175.76 176.48 1nbe s VAL 127 N -1.20 4.47 -0.30 0.00 1.01 0.03 -1.65 120.40 122.76 1nbe s VAL 127 Ca 0.25 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.62 1nbe s VAL 127 Cb -0.14 -3.08 0.17 0.00 0.00 0.00 0.00 36.38 33.32 1nbe s VAL 127 CO 0.14 0.25 0.44 -0.60 0.00 0.00 0.00 175.10 175.33 1nbe s ARG 128 N -2.00 0.47 -0.67 2.72 3.52 0.02 -4.82 118.95 118.19 1nbe s ARG 128 Ca 0.25 0.10 -0.26 0.00 -0.13 0.00 0.00 55.73 55.69 1nbe s ARG 128 Cb -0.12 -0.23 -0.02 0.00 -1.56 0.00 0.00 34.95 33.02 1nbe s ARG 128 CO 0.17 -1.06 1.82 0.21 -0.81 0.00 0.00 175.30 175.63 1nbe s LYS 129 N 2.48 2.67 -0.12 5.12 2.20 -1.26 -2.01 119.74 128.82 1nbe s LYS 129 Ca 0.10 0.39 -0.01 0.00 -0.36 0.00 0.00 55.97 56.09 1nbe s LYS 129 Cb -0.12 -4.49 -0.02 0.00 -1.51 0.00 0.00 37.83 31.69 1nbe s LYS 129 CO -0.27 -2.78 -0.08 -0.98 -0.36 0.00 0.00 175.35 170.88 1nbe s ARG 130 N 6.91 3.26 0.00 4.03 1.70 -0.88 -5.00 118.95 128.97 1nbe s ARG 130 Ca 0.65 -0.59 0.00 0.00 -0.47 0.00 0.00 55.73 55.31 1nbe s ARG 130 Cb -0.11 -2.70 0.00 0.00 -0.57 0.00 0.00 34.95 31.57 1nbe s ARG 130 CO 0.17 0.37 0.00 0.00 -1.08 0.00 0.00 175.30 174.75 1nbe n ALA 131 N 3.11 0.00 0.00 7.88 0.00 -1.26 -1.57 120.51 128.66 1nbe n ALA 131 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1nbe n ALA 131 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1nbe n ALA 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1nbe n ASN 132 N 0.00 0.00 -4.17 0.00 5.15 -1.26 -4.97 115.26 110.01 1nbe n ASN 132 Ca 0.00 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.84 1nbe n ASN 132 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 1nbe n ASN 132 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1nbe s ASP 133 N 0.00 0.60 -0.11 1.20 -4.77 -0.61 -5.15 116.67 107.83 1nbe s ASP 133 Ca 0.00 -1.42 -0.15 0.00 -3.30 0.00 0.00 52.55 47.68 1nbe s ASP 133 Cb 0.00 0.34 -0.05 0.00 -1.09 0.00 0.00 42.92 42.12 1nbe s ASP 133 CO 0.00 -0.83 0.36 -0.63 0.70 0.00 0.00 175.17 174.77 1nbe s ILE 134 N -3.98 5.22 -0.09 2.11 -1.09 -1.26 -2.07 121.20 120.05 1nbe s ILE 134 Ca 0.39 0.71 -0.04 0.00 -2.23 0.00 0.00 60.65 59.47 1nbe s ILE 134 Cb 0.07 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 1nbe s ILE 134 CO 0.14 0.42 0.08 0.00 -1.23 0.00 0.00 174.94 174.35 1nbe s ALA 135 N 0.12 3.61 -0.16 9.38 0.00 -0.85 -0.90 121.76 132.97 1nbe s ALA 135 Ca 0.21 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.41 1nbe s ALA 135 Cb -0.14 -1.72 0.05 0.00 0.00 0.00 0.00 23.12 21.30 1nbe s ALA 135 CO 0.08 0.62 -0.01 -0.51 0.00 0.00 0.00 175.76 175.94 1nbe s LEU 136 N -1.10 1.24 -0.36 0.00 1.43 -0.68 -0.80 118.68 118.41 1nbe s LEU 136 Ca 0.16 -0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 52.54 1nbe s LEU 136 Cb -0.12 -0.69 0.01 0.00 0.03 0.00 0.00 46.19 45.42 1nbe s LEU 136 CO 0.05 -0.23 0.22 -0.75 0.23 0.00 0.00 176.35 175.87 1nbe s LYS 137 N 1.79 3.07 0.46 1.70 2.20 -0.66 -1.05 119.74 127.26 1nbe s LYS 137 Ca 0.01 -0.93 -0.23 0.00 -0.36 0.00 0.00 55.97 54.46 1nbe s LYS 137 Cb -0.15 -3.76 -0.09 0.00 -1.51 0.00 0.00 37.83 32.31 1nbe s LYS 137 CO -0.07 -0.61 1.07 0.00 -0.36 0.00 0.00 175.35 175.37 1nbe h LYS 139 N 1.43 0.90 0.00 0.00 3.64 -1.66 -2.53 116.57 118.35 1nbe h LYS 139 Ca -0.46 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 58.40 1nbe h LYS 139 Cb 1.33 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1nbe h LYS 139 CO 0.56 1.17 -0.24 1.88 -2.27 0.00 0.00 179.45 180.55 1nbe h TYR 140 N 0.71 0.00 0.00 1.91 -1.99 -1.91 -3.38 116.97 112.30 1nbe h TYR 140 Ca 0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.77 1nbe h TYR 140 Cb 1.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.79 1nbe h TYR 140 CO 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.23 1nbe n GLU 142 N -1.40 -1.59 -2.62 0.00 1.02 -0.95 -4.94 120.64 110.16 1nbe n GLU 142 Ca 0.10 0.40 -0.42 0.00 -0.02 0.00 0.00 57.16 57.22 1nbe n GLU 142 Cb 0.28 -4.87 -0.03 0.00 -0.02 0.00 0.00 31.44 26.80 1nbe n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1nbe s LYS 143 N -1.78 4.57 -0.12 3.49 -0.14 -1.26 -4.64 119.74 119.87 1nbe s LYS 143 Ca 0.00 1.55 -0.15 0.00 -1.36 0.00 0.00 55.97 56.01 1nbe s LYS 143 Cb 0.00 -3.39 -0.05 0.00 -1.68 0.00 0.00 37.83 32.72 1nbe s LYS 143 CO 0.00 -0.01 0.36 -2.00 -0.76 0.00 0.00 175.35 172.93 1nbe s GLU 144 N 0.57 4.18 0.14 1.68 2.12 -1.26 -2.41 118.70 123.72 1nbe s GLU 144 Ca 0.52 0.24 0.07 0.00 0.36 0.00 0.00 54.97 56.16 1nbe s GLU 144 Cb -0.25 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 1nbe s GLU 144 CO 0.30 0.32 -0.15 -0.06 -0.54 0.00 0.00 175.26 175.13 1nbe s PHE 145 N 0.16 1.55 0.32 5.30 0.40 -0.21 -4.93 117.98 120.58 1nbe s PHE 145 Ca 0.20 -0.53 -0.28 0.00 -0.60 0.00 0.00 56.93 55.72 1nbe s PHE 145 Cb -0.14 -0.79 -0.09 0.00 0.51 0.00 0.00 43.02 42.50 1nbe s PHE 145 CO 0.07 0.21 1.11 0.45 0.70 0.00 0.00 175.22 177.77 1nbe s SER 146 N -2.58 7.03 0.31 1.36 0.15 -1.26 -1.69 113.70 117.02 1nbe s SER 146 Ca 0.12 2.26 0.01 0.00 0.70 0.00 0.00 55.95 59.04 1nbe s SER 146 Cb -0.05 -2.62 0.56 0.00 -1.71 0.00 0.00 66.02 62.20 1nbe s SER 146 CO 0.04 -0.31 1.92 1.12 1.20 0.00 0.00 173.24 177.21 1nbe h HIS 147 N 3.34 1.00 -1.04 3.44 2.07 -1.38 -0.12 115.15 122.46 1nbe h HIS 147 Ca -0.47 0.03 0.27 0.00 -2.85 0.00 0.00 60.37 57.34 1nbe h HIS 147 Cb 1.22 -0.33 -0.11 0.00 2.57 0.00 0.00 27.41 30.75 1nbe h HIS 147 CO 0.58 0.53 0.64 -0.91 -3.07 0.00 0.00 177.93 175.70 1nbe h ASN 148 N 0.99 0.54 0.28 3.10 2.35 -1.89 0.15 115.58 121.09 1nbe h ASN 148 Ca 0.37 0.12 -0.27 0.00 -0.55 0.00 0.00 56.30 55.97 1nbe h ASN 148 Cb 0.19 0.04 0.02 0.00 0.05 0.00 0.00 38.32 38.61 1nbe h ASN 148 CO -0.13 0.06 -1.15 0.58 -1.65 0.00 0.00 177.43 175.14 1nbe h VAL 149 N 0.45 1.36 0.00 2.81 2.07 -1.39 -3.20 116.25 118.35 1nbe h VAL 149 Ca 0.64 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 65.60 1nbe h VAL 149 Cb 1.47 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 33.89 1nbe h VAL 149 CO -0.40 0.77 0.00 0.58 0.02 0.00 0.00 177.57 178.54 1nbe h VAL 150 N 0.23 0.00 -3.34 2.57 2.07 -0.47 -3.17 116.25 114.13 1nbe h VAL 150 Ca -0.15 -0.07 -0.80 0.00 0.82 0.00 0.00 66.70 66.50 1nbe h VAL 150 Cb 1.82 0.72 -0.28 0.00 -1.52 0.00 0.00 31.29 32.03 1nbe h VAL 150 CO 0.21 0.00 0.57 0.18 0.02 0.00 0.00 177.57 178.55 1nbe n LEU 151 N -2.44 5.81 -4.70 2.57 4.32 -1.00 -4.54 117.00 117.01 1nbe n LEU 151 Ca -0.01 -5.09 -0.32 0.00 -0.02 0.00 0.00 56.01 50.57 1nbe n LEU 151 Cb 0.09 -1.42 0.14 0.00 -1.62 0.00 0.00 43.42 40.61 1nbe n LEU 151 CO 0.14 1.45 0.71 0.00 -1.22 0.00 0.00 177.39 178.48 1nbe s ALA 152 N -1.73 1.73 0.00 -1.18 0.00 -1.20 -5.00 121.76 114.37 1nbe s ALA 152 Ca 0.31 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1nbe s ALA 152 Cb -0.05 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1nbe s ALA 152 CO -0.02 -2.43 0.00 0.27 0.00 0.00 0.00 175.76 173.58