#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 0.46 -0.12 2.03 2.01 -1.26 -4.88 115.64 113.88 1nbe s THR 2 Ca 0.00 -0.71 -0.19 0.00 0.31 0.00 0.00 61.69 61.10 1nbe s THR 2 Cb 0.00 -1.10 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 1nbe s THR 2 CO 0.00 -0.37 0.52 -2.28 -0.69 0.00 0.00 174.62 171.79 1nbe s HIS 3 N 1.87 3.51 -0.30 4.92 2.46 -1.26 -5.03 115.29 121.45 1nbe s HIS 3 Ca 0.03 0.93 -0.06 0.00 0.47 0.00 0.00 55.06 56.43 1nbe s HIS 3 Cb -0.17 -2.60 0.18 0.00 -0.13 0.00 0.00 32.58 29.86 1nbe s HIS 3 CO -0.15 0.12 0.75 -0.51 -2.47 0.00 0.00 174.74 172.48 1nbe s ASP 4 N 0.71 -1.08 -0.14 9.88 1.11 -1.26 -4.06 116.67 121.83 1nbe s ASP 4 Ca 0.27 0.76 -0.14 0.00 0.18 0.00 0.00 52.55 53.62 1nbe s ASP 4 Cb -0.16 1.94 -0.11 0.00 1.07 0.00 0.00 42.92 45.66 1nbe s ASP 4 CO 0.11 -0.20 0.20 0.78 1.18 0.00 0.00 175.17 177.24 1nbe h ASN 5 N 7.98 0.00 0.00 0.27 -0.26 -1.99 -3.46 115.58 118.12 1nbe h ASN 5 Ca -0.20 -0.36 0.00 0.00 -0.56 0.00 0.00 56.30 55.18 1nbe h ASN 5 Cb 1.16 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.42 1nbe h ASN 5 CO 0.14 0.89 0.00 0.29 -1.06 0.00 0.00 177.43 177.69 1nbe n LYS 6 N -4.63 0.00 -4.61 0.81 5.02 -1.26 -5.12 118.16 108.37 1nbe n LYS 6 Ca -0.11 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.85 1nbe n LYS 6 Cb 0.32 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.20 1nbe n LYS 6 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1nbe s LEU 7 N 0.00 2.91 -0.48 -0.35 2.34 -1.26 -5.06 118.68 116.78 1nbe s LEU 7 Ca 0.00 -0.26 -0.45 0.00 0.06 0.00 0.00 54.13 53.48 1nbe s LEU 7 Cb 0.00 -1.68 -0.19 0.00 -0.56 0.00 0.00 46.19 43.77 1nbe s LEU 7 CO 0.00 0.16 1.86 0.00 -1.06 0.00 0.00 176.35 177.31 1nbe n GLN 8 N 3.57 0.13 -4.18 1.48 6.02 -1.26 -4.63 117.38 118.51 1nbe n GLN 8 Ca -0.18 0.04 -0.18 0.00 -0.01 0.00 0.00 57.00 56.68 1nbe n GLN 8 Cb 0.53 -1.59 -0.12 0.00 1.02 0.00 0.00 30.24 30.08 1nbe n GLN 8 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1nbe s VAL 9 N 4.48 1.14 0.48 5.09 1.01 -1.26 -5.10 120.40 126.24 1nbe s VAL 9 Ca 1.11 -1.41 -0.18 0.00 0.00 0.00 0.00 61.98 61.50 1nbe s VAL 9 Cb -1.44 -1.18 -0.09 0.00 0.00 0.00 0.00 36.38 33.67 1nbe s VAL 9 CO 0.73 -0.29 0.96 -1.83 0.00 0.00 0.00 175.10 174.67 1nbe s GLU 10 N -2.00 4.05 -0.27 2.72 4.04 -1.26 -4.82 118.70 121.17 1nbe s GLU 10 Ca 0.01 1.00 -0.01 0.00 0.04 0.00 0.00 54.97 56.00 1nbe s GLU 10 Cb -0.08 -2.17 0.15 0.00 0.02 0.00 0.00 34.13 32.05 1nbe s GLU 10 CO 0.02 -0.16 0.43 0.00 -1.84 0.00 0.00 175.26 173.71 1nbe s ALA 11 N -2.44 -1.39 0.86 -0.84 0.00 -1.26 -4.79 121.76 111.91 1nbe s ALA 11 Ca 0.60 0.93 -0.17 0.00 0.00 0.00 0.00 51.96 53.32 1nbe s ALA 11 Cb -0.10 -1.89 -0.12 0.00 0.00 0.00 0.00 23.12 21.01 1nbe s ALA 11 CO 0.24 -1.41 -0.39 0.44 0.00 0.00 0.00 175.76 174.64 1nbe n ILE 12 N 5.38 0.17 0.00 0.00 -5.35 -1.26 -4.95 119.36 113.35 1nbe n ILE 12 Ca -0.02 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 1nbe n ILE 12 Cb 0.50 -0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.26 1nbe n ILE 12 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1nbe n LYS 13 N 1.47 0.00 -4.25 6.28 5.02 -1.26 -4.58 118.16 120.84 1nbe n LYS 13 Ca 0.02 0.45 -0.19 0.00 -2.02 0.00 0.00 58.31 56.57 1nbe n LYS 13 Cb 0.53 -1.22 -0.16 0.00 -0.02 0.00 0.00 35.03 34.17 1nbe n LYS 13 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1nbe s ARG 14 N -1.93 0.79 0.00 1.97 3.52 -1.26 -1.76 118.95 120.29 1nbe s ARG 14 Ca 0.00 -0.20 0.00 0.00 -0.13 0.00 0.00 55.73 55.40 1nbe s ARG 14 Cb 0.00 -0.77 0.00 0.00 -1.56 0.00 0.00 34.95 32.62 1nbe s ARG 14 CO 0.00 0.04 0.00 0.41 -0.81 0.00 0.00 175.30 174.94 1nbe n GLY 15 N 3.52 -0.89 3.65 8.12 0.00 0.09 0.70 105.19 120.39 1nbe n GLY 15 Ca -0.20 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.94 3.79 -0.27 2.61 2.01 -0.80 0.79 115.64 120.82 1nbe s THR 16 Ca 0.00 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 60.86 1nbe s THR 16 Cb 0.00 -2.81 0.08 0.00 0.01 0.00 0.00 72.50 69.78 1nbe s THR 16 CO 0.00 0.08 0.03 -0.69 -0.69 0.00 0.00 174.62 173.35 1nbe s VAL 17 N -1.36 1.23 -0.77 3.82 1.01 0.03 -0.65 120.40 123.71 1nbe s VAL 17 Ca 0.25 -1.33 -0.20 0.00 0.00 0.00 0.00 61.98 60.70 1nbe s VAL 17 Cb -0.11 -1.74 0.11 0.00 0.00 0.00 0.00 36.38 34.63 1nbe s VAL 17 CO 0.17 -0.39 0.99 -0.63 0.00 0.00 0.00 175.10 175.23 1nbe s ILE 18 N 1.49 4.62 0.23 2.22 1.01 0.24 -1.22 121.20 129.80 1nbe s ILE 18 Ca 0.03 -1.06 0.06 0.00 0.00 0.00 0.00 60.65 59.67 1nbe s ILE 18 Cb -0.18 -4.69 -0.03 0.00 0.01 0.00 0.00 42.46 37.57 1nbe s ILE 18 CO -0.14 -1.41 0.26 -0.62 0.00 0.00 0.00 174.94 173.04 1nbe s ASP 19 N 3.61 5.90 -0.60 3.58 2.15 -0.46 -1.92 116.67 128.94 1nbe s ASP 19 Ca 0.25 -0.08 -0.03 0.00 0.43 0.00 0.00 52.55 53.12 1nbe s ASP 19 Cb -0.13 -1.63 0.00 0.00 -0.30 0.00 0.00 42.92 40.87 1nbe s ASP 19 CO 0.00 -0.04 0.52 1.57 -0.17 0.00 0.00 175.17 177.06 1nbe n HIS 20 N -1.16 -1.23 -3.33 -5.34 -0.00 -1.25 -1.09 115.22 101.82 1nbe n HIS 20 Ca -0.08 0.46 -0.38 0.00 0.46 0.00 0.00 57.72 58.17 1nbe n HIS 20 Cb 0.57 -3.03 -0.06 0.00 -0.12 0.00 0.00 29.99 27.35 1nbe n HIS 20 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1nbe s ILE 21 N -3.15 4.98 0.67 3.57 1.01 -1.13 -3.62 121.20 123.52 1nbe s ILE 21 Ca 0.18 1.05 -0.15 0.00 0.00 0.00 0.00 60.65 61.73 1nbe s ILE 21 Cb -0.08 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.56 1nbe s ILE 21 CO 0.33 0.47 1.14 -2.16 0.00 0.00 0.00 174.94 174.73 1nbe s PRO 22 N -0.43 2.61 0.51 2.79 0.04 -1.26 0.16 135.00 139.42 1nbe s PRO 22 Ca 0.27 1.53 -0.21 0.00 0.04 0.00 0.00 61.00 62.64 1nbe s PRO 22 Cb -0.17 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 1nbe s PRO 22 CO 0.15 -1.42 0.74 0.00 0.04 0.00 0.00 177.00 176.51 1nbe n ALA 23 N -2.44 -0.60 0.00 8.56 0.00 -1.21 -1.75 120.51 123.08 1nbe n ALA 23 Ca 0.11 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1nbe n ALA 23 Cb 0.51 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 -0.06 0.00 0.10 0.00 1.13 -1.26 -4.67 117.38 112.62 1nbe n GLN 24 Ca 0.11 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 55.20 1nbe n GLN 24 Cb 0.44 -3.18 -0.01 0.00 0.11 0.00 0.00 30.24 27.60 1nbe n GLN 24 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1nbe h ILE 25 N 0.00 0.58 -0.01 5.09 1.08 -1.71 -3.38 117.51 119.16 1nbe h ILE 25 Ca 0.00 -1.93 0.00 0.00 -0.39 0.00 0.00 64.86 62.55 1nbe h ILE 25 Cb 0.00 2.15 -0.00 0.00 -3.07 0.00 0.00 36.82 35.89 1nbe h ILE 25 CO 0.00 0.33 -0.02 1.23 -0.69 0.00 0.00 178.15 179.00 1nbe h GLY 26 N 3.66 -1.61 0.36 5.37 0.00 -1.83 -2.16 103.07 106.87 1nbe h GLY 26 Ca -0.06 0.70 0.16 0.00 0.00 0.00 0.00 47.33 48.13 1nbe h GLY 26 CO 0.05 -0.61 0.60 -2.75 0.00 0.00 0.00 176.54 173.83 1nbe h PHE 27 N -0.02 0.90 -0.10 5.60 3.57 -1.94 0.40 116.94 125.34 1nbe h PHE 27 Ca 0.00 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1nbe h PHE 27 Cb 0.02 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.44 1nbe h PHE 27 CO -0.47 0.28 -0.17 0.87 -2.23 0.00 0.00 178.31 176.59 1nbe h LYS 28 N 0.71 -0.22 -0.51 1.11 1.57 -1.67 0.77 116.57 118.34 1nbe h LYS 28 Ca 0.50 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.38 1nbe h LYS 28 Cb 0.81 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.10 1nbe h LYS 28 CO -0.26 -0.15 0.08 -0.07 -0.57 0.00 0.00 179.45 178.49 1nbe h LEU 29 N -0.23 -0.04 -1.06 2.94 3.38 -0.29 0.53 115.31 120.54 1nbe h LEU 29 Ca 0.09 0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.26 1nbe h LEU 29 Cb 0.35 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.17 1nbe h LEU 29 CO -0.24 0.01 0.62 -0.07 0.09 0.00 0.00 178.44 178.85 1nbe h LEU 30 N 0.21 0.91 0.18 1.67 3.38 -0.63 -2.43 115.31 118.61 1nbe h LEU 30 Ca 0.26 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1nbe h LEU 30 Cb 0.36 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1nbe h LEU 30 CO -0.35 0.52 -0.09 0.28 0.09 0.00 0.00 178.44 178.89 1nbe h SER 31 N 1.00 -0.20 -0.73 -0.43 0.02 0.17 -1.98 113.55 111.39 1nbe h SER 31 Ca 0.46 0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.49 1nbe h SER 31 Cb 0.42 0.05 -0.09 0.00 0.14 0.00 0.00 62.40 62.92 1nbe h SER 31 CO -0.22 -0.00 -0.43 0.18 -1.14 0.00 0.00 176.83 175.21 1nbe n LEU 32 N -3.41 -0.78 -0.27 5.07 4.77 0.15 -0.70 117.00 121.83 1nbe n LEU 32 Ca -0.03 1.49 0.13 0.00 -0.03 0.00 0.00 56.01 57.57 1nbe n LEU 32 Cb 0.09 -0.26 0.62 0.00 -2.33 0.00 0.00 43.42 41.54 1nbe n LEU 32 CO 0.07 -1.16 0.91 0.49 -1.33 0.00 0.00 177.39 176.38 1nbe n PHE 33 N -4.70 0.04 -3.82 -1.77 3.72 -0.92 -4.94 117.46 105.08 1nbe n PHE 33 Ca 0.01 -0.02 -0.24 0.00 -0.05 0.00 0.00 57.45 57.16 1nbe n PHE 33 Cb 0.19 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.74 1nbe n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1nbe n LYS 34 N -0.30 -4.24 0.17 -1.08 5.02 0.13 -4.88 118.16 112.97 1nbe n LYS 34 Ca 0.19 0.53 0.02 0.00 -2.02 0.00 0.00 58.31 57.03 1nbe n LYS 34 Cb 0.23 -4.92 0.29 0.00 -0.02 0.00 0.00 35.03 30.60 1nbe n LYS 34 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1nbe h LEU 35 N -1.86 0.00 0.00 -0.35 3.38 -1.58 -3.20 115.31 111.70 1nbe h LEU 35 Ca -0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1nbe h LEU 35 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1nbe h LEU 35 CO 0.60 0.47 0.00 0.35 0.09 0.00 0.00 178.44 179.94 1nbe n THR 36 N -3.81 0.53 0.61 0.22 -2.24 -1.26 -4.23 114.28 104.09 1nbe n THR 36 Ca -0.01 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1nbe n THR 36 Cb 0.51 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 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 -1.44 0.61 -4.57 -0.78 1.02 -1.21 -4.85 120.64 109.41 1nbe n GLU 37 Ca 0.06 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.89 1nbe n GLU 37 Cb 0.22 -1.27 -0.06 0.00 -0.02 0.00 0.00 31.44 30.30 1nbe n GLU 37 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1nbe s THR 38 N -0.62 1.31 -2.18 2.62 -4.23 -1.26 -5.03 115.64 106.26 1nbe s THR 38 Ca 0.00 -1.89 0.18 0.00 -1.18 0.00 0.00 61.69 58.80 1nbe s THR 38 Cb 0.00 -2.20 0.43 0.00 1.34 0.00 0.00 72.50 72.06 1nbe s THR 38 CO 0.00 0.00 1.42 -0.90 -0.54 0.00 0.00 174.62 174.60 1nbe n ASP 39 N -1.36 2.37 -4.84 3.99 5.75 -1.26 -4.95 116.55 116.25 1nbe n ASP 39 Ca -0.15 -1.90 -0.32 0.00 -0.01 0.00 0.00 54.79 52.41 1nbe n ASP 39 Cb 0.66 -0.23 -0.03 0.00 -1.03 0.00 0.00 41.12 40.49 1nbe n ASP 39 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1nbe s GLN 40 N -1.54 3.90 -0.84 0.11 -1.52 -1.26 -5.00 119.66 113.50 1nbe s GLN 40 Ca 0.33 0.98 -0.25 0.00 -1.95 0.00 0.00 55.36 54.46 1nbe s GLN 40 Cb 0.18 -2.13 0.02 0.00 -0.22 0.00 0.00 33.01 30.87 1nbe s GLN 40 CO 0.25 -0.32 1.46 0.50 -0.25 0.00 0.00 175.29 176.93 1nbe s ARG 41 N -4.07 3.22 -0.12 2.91 3.52 -1.26 -4.94 118.95 118.21 1nbe s ARG 41 Ca 0.59 -0.47 -0.12 0.00 -0.13 0.00 0.00 55.73 55.60 1nbe s ARG 41 Cb -0.10 -4.71 -0.05 0.00 -1.56 0.00 0.00 34.95 28.53 1nbe s ARG 41 CO 0.32 -2.35 0.27 0.42 -0.81 0.00 0.00 175.30 173.15 1nbe s ILE 42 N 6.22 5.30 -0.14 4.11 1.01 -1.26 -3.12 121.20 133.32 1nbe s ILE 42 Ca 0.46 0.51 0.02 0.00 0.00 0.00 0.00 60.65 61.64 1nbe s ILE 42 Cb -0.05 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.84 1nbe s ILE 42 CO 0.05 0.48 -0.20 -0.89 0.00 0.00 0.00 174.94 174.38 1nbe s THR 43 N -0.19 1.94 -0.06 2.92 2.01 -0.66 -4.99 115.64 116.61 1nbe s THR 43 Ca 0.17 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.29 1nbe s THR 43 Cb -0.13 -1.73 -0.02 0.00 0.01 0.00 0.00 72.50 70.62 1nbe s THR 43 CO 0.05 0.53 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.74 1nbe s ILE 44 N 0.89 3.09 -0.28 1.82 1.09 -1.26 -1.86 121.20 124.69 1nbe s ILE 44 Ca -0.06 -0.70 0.02 0.00 -1.10 0.00 0.00 60.65 58.81 1nbe s ILE 44 Cb -0.15 -2.23 0.07 0.00 -1.06 0.00 0.00 42.46 39.10 1nbe s ILE 44 CO -0.03 0.58 -0.03 -0.83 -0.10 0.00 0.00 174.94 174.53 1nbe s GLY 45 N -0.57 1.58 -0.04 6.18 0.00 0.94 -5.00 107.32 110.41 1nbe s GLY 45 Ca 0.08 -1.86 -0.03 0.00 0.00 0.00 0.00 44.72 42.92 1nbe s GLY 45 CO 0.01 0.87 0.11 1.08 0.00 0.00 0.00 173.10 175.18 1nbe s LEU 46 N 1.17 4.11 -1.27 0.66 1.43 -1.26 -0.26 118.68 123.25 1nbe s LEU 46 Ca -0.01 0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1nbe s LEU 46 Cb -0.19 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.77 1nbe s LEU 46 CO -0.08 0.32 0.86 0.59 0.23 0.00 0.00 176.35 178.27 1nbe n ASN 47 N 1.42 -1.90 -4.84 2.29 3.02 -0.97 -4.99 115.26 109.30 1nbe n ASN 47 Ca -0.15 -0.72 -0.34 0.00 -0.03 0.00 0.00 54.58 53.34 1nbe n ASN 47 Cb 0.53 -4.54 -0.06 0.00 -0.61 0.00 0.00 39.78 35.10 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 -6.59 4.23 -0.90 3.41 1.43 0.57 -4.80 118.68 116.02 1nbe s LEU 48 Ca 0.05 1.23 -0.25 0.00 -1.03 0.00 0.00 54.13 54.13 1nbe s LEU 48 Cb -0.03 -3.69 -0.09 0.00 0.03 0.00 0.00 46.19 42.42 1nbe s LEU 48 CO 0.77 -0.04 2.11 -2.84 0.23 0.00 0.00 176.35 176.58 1nbe s PRO 49 N -2.41 2.15 0.00 1.29 0.02 -1.26 -0.80 135.00 133.99 1nbe s PRO 49 Ca 0.46 -0.11 0.30 0.00 0.02 0.00 0.00 61.00 61.67 1nbe s PRO 49 Cb -0.13 -4.98 1.51 0.00 0.02 0.00 0.00 34.50 30.91 1nbe s PRO 49 CO 0.19 -3.91 2.03 0.45 -0.33 0.00 0.00 177.00 175.43 1nbe n SER 50 N 15.90 0.18 0.00 2.53 2.88 0.77 -4.90 113.62 130.98 1nbe n SER 50 Ca 0.43 -0.49 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1nbe n SER 50 Cb 0.46 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 1nbe n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nbe n GLY 51 N 1.22 -0.05 0.36 0.46 0.00 0.96 -0.53 105.19 107.61 1nbe n GLY 51 Ca 0.17 0.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 1nbe n GLY 51 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1nbe h GLU 52 N 0.00 1.12 -0.49 1.61 9.09 -2.01 -1.74 114.58 122.16 1nbe h GLU 52 Ca 0.00 -0.08 -0.32 0.00 0.05 0.00 0.00 59.36 59.01 1nbe h GLU 52 Cb 0.00 -0.25 -0.21 0.00 -1.65 0.00 0.00 28.75 26.65 1nbe h GLU 52 CO 0.00 0.76 -0.24 -0.12 0.05 0.00 0.00 179.01 179.46 1nbe n MET 53 N -4.39 2.39 0.00 1.06 0.00 0.31 -5.05 117.12 111.44 1nbe n MET 53 Ca 0.09 -3.50 0.00 0.00 0.00 0.00 0.00 57.70 54.30 1nbe n MET 53 Cb 0.04 -1.97 0.00 0.00 0.00 0.00 0.00 33.22 31.28 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 -0.99 0.39 3.13 -5.12 0.00 -0.66 -4.43 105.19 97.51 1nbe n GLY 54 Ca 0.38 0.66 -0.28 0.00 0.00 0.00 0.00 46.02 46.78 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 2.33 0.31 1.61 0.52 -1.25 0.27 118.95 122.74 1nbe s ARG 55 Ca 0.00 -0.66 0.03 0.00 -0.52 0.00 0.00 55.73 54.58 1nbe s ARG 55 Cb 0.00 -1.84 -0.06 0.00 0.52 0.00 0.00 34.95 33.57 1nbe s ARG 55 CO 0.00 0.14 0.07 -1.59 0.02 0.00 0.00 175.30 173.94 1nbe s LYS 56 N 0.41 1.61 0.37 3.54 -2.85 0.02 -3.33 119.74 119.50 1nbe s LYS 56 Ca -0.15 -1.90 0.08 0.00 -1.00 0.00 0.00 55.97 53.01 1nbe s LYS 56 Cb -0.16 -0.69 -0.04 0.00 -2.06 0.00 0.00 37.83 34.88 1nbe s LYS 56 CO 0.06 -0.24 0.20 -0.51 0.10 0.00 0.00 175.35 174.96 1nbe s ASP 57 N -3.45 4.73 -0.28 0.03 1.01 0.12 -0.32 116.67 118.51 1nbe s ASP 57 Ca 0.36 -0.81 -0.18 0.00 0.71 0.00 0.00 52.55 52.62 1nbe s ASP 57 Cb 0.08 -0.67 0.09 0.00 1.01 0.00 0.00 42.92 43.43 1nbe s ASP 57 CO 0.15 -0.41 0.74 -0.22 0.21 0.00 0.00 175.17 175.64 1nbe s LEU 58 N -3.91 -0.84 0.06 1.23 0.20 0.64 -2.84 118.68 113.21 1nbe s LEU 58 Ca 0.40 1.40 0.07 0.00 0.69 0.00 0.00 54.13 56.69 1nbe s LEU 58 Cb -0.01 2.31 -0.03 0.00 -0.43 0.00 0.00 46.19 48.03 1nbe s LEU 58 CO 0.24 -0.23 -0.19 -0.63 -0.29 0.00 0.00 176.35 175.25 1nbe s ILE 59 N 1.29 1.57 -0.13 6.68 1.01 -0.81 -0.04 121.20 130.77 1nbe s ILE 59 Ca -0.07 -1.26 -0.04 0.00 0.00 0.00 0.00 60.65 59.28 1nbe s ILE 59 Cb -0.05 -1.39 0.05 0.00 0.01 0.00 0.00 42.46 41.08 1nbe s ILE 59 CO -0.15 0.09 0.07 -0.54 0.00 0.00 0.00 174.94 174.41 1nbe s LYS 60 N -1.39 0.15 -0.49 2.79 1.02 -0.78 -0.59 119.74 120.45 1nbe s LYS 60 Ca 0.06 0.02 -0.05 0.00 0.02 0.00 0.00 55.97 56.02 1nbe s LYS 60 Cb -0.09 -1.41 0.13 0.00 -0.52 0.00 0.00 37.83 35.94 1nbe s LYS 60 CO 0.02 -0.54 0.32 0.42 -0.92 0.00 0.00 175.35 174.66 1nbe s ILE 61 N 2.10 3.75 0.20 2.17 1.01 0.18 -1.65 121.20 128.96 1nbe s ILE 61 Ca 0.03 -2.19 -0.30 0.00 0.00 0.00 0.00 60.65 58.18 1nbe s ILE 61 Cb -0.15 -3.50 -0.09 0.00 0.01 0.00 0.00 42.46 38.73 1nbe s ILE 61 CO -0.07 -0.77 1.39 -0.70 0.00 0.00 0.00 174.94 174.79 1nbe s GLU 62 N 0.90 4.32 -1.25 2.79 2.12 -1.18 -1.90 118.70 124.50 1nbe s GLU 62 Ca 0.10 2.17 -0.02 0.00 0.36 0.00 0.00 54.97 57.57 1nbe s GLU 62 Cb -0.23 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 30.99 1nbe s GLU 62 CO -0.03 -0.37 0.31 0.09 -0.54 0.00 0.00 175.26 174.72 1nbe n ASN 63 N 2.88 -4.96 -3.54 -1.70 5.03 0.22 -4.44 115.26 108.75 1nbe n ASN 63 Ca 0.08 -0.15 -0.16 0.00 0.87 0.00 0.00 54.58 55.22 1nbe n ASN 63 Cb 0.41 -3.90 -0.13 0.00 -1.02 0.00 0.00 39.78 35.15 1nbe n ASN 63 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1nbe s THR 64 N -2.95 -0.38 0.07 3.41 2.01 -1.17 -4.98 115.64 111.65 1nbe s THR 64 Ca 0.16 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.22 1nbe s THR 64 Cb -0.07 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1nbe s THR 64 CO 0.19 -0.07 0.15 -0.36 -0.69 0.00 0.00 174.62 173.85 1nbe s PHE 65 N 2.38 3.36 -0.19 4.92 0.08 -1.26 -2.42 117.98 124.85 1nbe s PHE 65 Ca 0.05 0.16 -0.06 0.00 0.12 0.00 0.00 56.93 57.21 1nbe s PHE 65 Cb -0.14 -1.69 -0.03 0.00 -0.57 0.00 0.00 43.02 40.59 1nbe s PHE 65 CO -0.11 0.55 0.03 -0.51 -0.10 0.00 0.00 175.22 175.08 1nbe s LEU 66 N -2.49 3.49 0.45 -0.37 1.43 -1.26 -5.05 118.68 114.88 1nbe s LEU 66 Ca 0.32 -0.08 -0.25 0.00 -1.03 0.00 0.00 54.13 53.09 1nbe s LEU 66 Cb -0.12 -1.88 -0.08 0.00 0.03 0.00 0.00 46.19 44.13 1nbe s LEU 66 CO 0.25 0.11 1.35 -0.94 0.23 0.00 0.00 176.35 177.35 1nbe s SER 67 N 0.73 5.97 0.55 2.29 1.04 -1.26 -4.75 113.70 118.27 1nbe s SER 67 Ca 0.01 2.74 0.37 0.00 0.48 0.00 0.00 55.95 59.56 1nbe s SER 67 Cb -0.14 -2.64 1.54 0.00 0.10 0.00 0.00 66.02 64.88 1nbe s SER 67 CO 0.02 -1.09 1.75 1.05 0.98 0.00 0.00 173.24 175.95 1nbe h GLU 68 N 2.30 0.00 -0.33 4.02 9.09 -1.98 0.32 114.58 128.00 1nbe h GLU 68 Ca -0.50 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 58.84 1nbe h GLU 68 Cb 1.26 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.35 1nbe h GLU 68 CO 0.61 0.00 -0.06 -0.44 0.05 0.00 0.00 179.01 179.17 1nbe h ASP 69 N 0.00 0.62 0.27 3.06 3.32 -2.00 -2.05 116.42 119.63 1nbe h ASP 69 Ca 0.58 -0.35 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 1nbe h ASP 69 Cb 2.43 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 41.80 1nbe h ASP 69 CO -0.01 0.82 -0.19 1.56 -1.72 0.00 0.00 179.24 179.71 1nbe h GLN 70 N 0.40 0.00 -0.12 3.56 4.20 -0.72 -1.86 115.11 120.57 1nbe h GLN 70 Ca 0.09 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.65 1nbe h GLN 70 Cb 0.54 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1nbe h GLN 70 CO 0.03 0.19 -0.56 0.28 -0.67 0.00 0.00 178.83 178.10 1nbe h VAL 71 N 0.00 1.35 0.00 -0.54 2.07 -0.98 -3.10 116.25 115.05 1nbe h VAL 71 Ca -0.00 -1.85 -0.06 0.00 0.82 0.00 0.00 66.70 65.60 1nbe h VAL 71 Cb 0.38 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1nbe h VAL 71 CO 0.02 0.56 -0.31 0.44 0.02 0.00 0.00 177.57 178.30 1nbe h ASP 72 N 0.27 0.00 0.32 0.57 5.19 -0.63 -2.86 116.42 119.28 1nbe h ASP 72 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1nbe h ASP 72 Cb 1.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.57 1nbe h ASP 72 CO 0.09 0.31 0.00 1.56 -3.12 0.00 0.00 179.24 178.08 1nbe h GLN 73 N 0.00 0.00 0.00 3.56 1.08 -1.44 -1.93 115.11 116.38 1nbe h GLN 73 Ca -0.00 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.07 1nbe h GLN 73 Cb 0.79 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.20 1nbe h GLN 73 CO 0.04 0.00 -0.59 -0.07 -0.95 0.00 0.00 178.83 177.26 1nbe h LEU 74 N 0.00 0.00 -0.09 1.46 3.38 -1.66 -3.40 115.31 114.99 1nbe h LEU 74 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1nbe h LEU 74 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1nbe h LEU 74 CO 0.00 0.59 -0.05 0.00 0.09 0.00 0.00 178.44 179.07 1nbe n ALA 75 N -2.27 -0.06 -0.33 1.53 0.00 -0.73 -0.02 120.51 118.63 1nbe n ALA 75 Ca 0.01 0.08 0.28 0.00 0.00 0.00 0.00 53.44 53.81 1nbe n ALA 75 Cb 0.73 0.23 0.59 0.00 0.00 0.00 0.00 19.45 21.00 1nbe n ALA 75 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1nbe h LEU 76 N 0.00 0.30 0.04 0.00 3.38 -1.83 -2.66 115.31 114.54 1nbe h LEU 76 Ca 0.01 0.06 -0.36 0.00 0.09 0.00 0.00 57.88 57.69 1nbe h LEU 76 Cb 0.04 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1nbe h LEU 76 CO -0.09 0.03 -2.02 -1.22 0.09 0.00 0.00 178.44 175.24 1nbe n TYR 77 N -4.50 0.69 -3.27 1.13 4.02 0.05 -4.87 117.16 110.42 1nbe n TYR 77 Ca 0.27 0.20 -0.21 0.00 -0.01 0.00 0.00 57.90 58.15 1nbe n TYR 77 Cb 1.04 -1.08 -0.08 0.00 -0.02 0.00 0.00 39.34 39.20 1nbe n TYR 77 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1nbe s ALA 78 N -2.49 0.42 0.15 -0.72 0.00 0.97 -4.88 121.76 115.20 1nbe s ALA 78 Ca -0.30 -1.80 0.03 0.00 0.00 0.00 0.00 51.96 49.89 1nbe s ALA 78 Cb 0.08 -1.88 -0.06 0.00 0.00 0.00 0.00 23.12 21.27 1nbe s ALA 78 CO 0.64 -2.06 1.34 -1.00 0.00 0.00 0.00 175.76 174.68 1nbe h PRO 79 N 5.83 0.14 0.00 0.00 0.13 -1.65 -3.16 132.00 133.29 1nbe h PRO 79 Ca 0.18 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1nbe h PRO 79 Cb 0.97 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1nbe h PRO 79 CO 0.27 0.97 0.00 1.04 -0.23 0.00 0.00 178.00 180.04 1nbe n GLN 80 N -3.58 0.15 -1.71 0.86 1.13 -1.26 -4.39 117.38 108.58 1nbe n GLN 80 Ca -0.03 0.02 -0.40 0.00 -1.94 0.00 0.00 57.00 54.65 1nbe n GLN 80 Cb 0.85 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.72 1nbe n GLN 80 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1nbe n ALA 81 N -1.42 1.37 -3.07 -1.58 0.00 -1.19 -4.94 120.51 109.69 1nbe n ALA 81 Ca 0.09 0.24 -0.32 0.00 0.00 0.00 0.00 53.44 53.45 1nbe n ALA 81 Cb 0.29 -2.28 -0.16 0.00 0.00 0.00 0.00 19.45 17.30 1nbe n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nbe s ALA 82 N -1.22 2.37 -0.26 0.00 0.00 -0.25 -3.98 121.76 118.42 1nbe s ALA 82 Ca 0.63 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 51.56 1nbe s ALA 82 Cb -0.49 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 1nbe s ALA 82 CO 0.57 0.30 0.10 0.08 0.00 0.00 0.00 175.76 176.81 1nbe s VAL 83 N 0.23 4.48 -0.17 0.00 1.01 -0.54 -1.35 120.40 124.05 1nbe s VAL 83 Ca -0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 1nbe s VAL 83 Cb -0.16 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1nbe s VAL 83 CO 0.07 0.29 -0.03 0.20 0.00 0.00 0.00 175.10 175.64 1nbe s ASN 84 N 1.63 4.78 -0.28 3.32 0.01 -0.35 -0.05 114.94 124.00 1nbe s ASN 84 Ca 0.06 -0.17 -0.20 0.00 -0.71 0.00 0.00 52.86 51.85 1nbe s ASN 84 Cb -0.15 -1.79 -0.02 0.00 0.41 0.00 0.00 41.25 39.70 1nbe s ASN 84 CO 0.05 0.13 0.61 -0.13 -1.51 0.00 0.00 177.10 176.25 1nbe s ARG 85 N 0.62 4.00 -0.13 -0.60 0.52 0.21 -0.79 118.95 122.77 1nbe s ARG 85 Ca -0.02 0.39 -0.02 0.00 -0.52 0.00 0.00 55.73 55.56 1nbe s ARG 85 Cb -0.14 -3.69 -0.02 0.00 0.52 0.00 0.00 34.95 31.61 1nbe s ARG 85 CO 0.02 -0.48 -0.07 0.42 0.02 0.00 0.00 175.30 175.21 1nbe s ILE 86 N 2.53 3.60 -0.01 1.52 1.09 0.24 -0.84 121.20 129.32 1nbe s ILE 86 Ca 0.25 -0.47 -0.01 0.00 -1.10 0.00 0.00 60.65 59.32 1nbe s ILE 86 Cb -0.15 -2.54 0.00 0.00 -1.06 0.00 0.00 42.46 38.70 1nbe s ILE 86 CO 0.10 0.52 0.02 -0.62 -0.10 0.00 0.00 174.94 174.86 1nbe s ASP 87 N 0.19 -0.01 -1.35 3.58 -1.08 0.30 -0.73 116.67 117.56 1nbe s ASP 87 Ca -0.04 0.02 -0.03 0.00 -0.52 0.00 0.00 52.55 51.98 1nbe s ASP 87 Cb -0.14 0.06 0.02 0.00 -1.46 0.00 0.00 42.92 41.39 1nbe s ASP 87 CO 0.04 -0.03 0.76 -3.20 0.52 0.00 0.00 175.17 173.25 1nbe n ASN 88 N 2.97 -1.92 -2.23 -0.34 5.15 -1.22 -0.46 115.26 117.20 1nbe n ASN 88 Ca -0.13 -0.81 -0.15 0.00 -0.60 0.00 0.00 54.58 52.88 1nbe n ASN 88 Cb 0.60 -4.01 -0.02 0.00 -0.53 0.00 0.00 39.78 35.81 1nbe n ASN 88 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1nbe n TYR 89 N -4.37 -1.06 -3.82 1.20 4.01 -0.72 -4.94 117.16 107.47 1nbe n TYR 89 Ca -0.23 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.39 1nbe n TYR 89 Cb 0.65 -3.13 -0.10 0.00 -0.31 0.00 0.00 39.34 36.44 1nbe n TYR 89 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1nbe s GLU 90 N -4.68 0.48 -0.59 -0.72 0.41 0.39 -5.11 118.70 108.88 1nbe s GLU 90 Ca 0.00 -0.15 -0.27 0.00 -0.41 0.00 0.00 54.97 54.14 1nbe s GLU 90 Cb 0.00 0.21 -0.00 0.00 -1.78 0.00 0.00 34.13 32.56 1nbe s GLU 90 CO 0.00 -0.11 1.61 0.08 -0.49 0.00 0.00 175.26 176.35 1nbe s VAL 91 N -0.97 3.57 -0.08 2.63 1.01 -1.26 -0.54 120.40 124.76 1nbe s VAL 91 Ca -0.10 0.43 0.14 0.00 0.00 0.00 0.00 61.98 62.44 1nbe s VAL 91 Cb -0.05 -4.24 -0.13 0.00 0.00 0.00 0.00 36.38 31.96 1nbe s VAL 91 CO 0.02 -1.10 0.95 0.58 0.00 0.00 0.00 175.10 175.55 1nbe h VAL 92 N 6.57 0.78 -3.63 2.92 2.07 -1.28 -3.47 116.25 120.21 1nbe h VAL 92 Ca -0.27 -2.35 -0.23 0.00 0.82 0.00 0.00 66.70 64.66 1nbe h VAL 92 Cb 1.12 2.28 -0.28 0.00 -1.52 0.00 0.00 31.29 32.89 1nbe h VAL 92 CO 1.20 0.44 -0.68 -0.83 0.02 0.00 0.00 177.57 177.71 1nbe s GLY 93 N -4.80 -0.01 -0.45 2.17 0.00 -0.94 -4.98 107.32 98.32 1nbe s GLY 93 Ca -0.02 0.13 0.02 0.00 0.00 0.00 0.00 44.72 44.86 1nbe s GLY 93 CO 0.80 0.17 0.25 1.25 0.00 0.00 0.00 173.10 175.57 1nbe s LYS 94 N 0.15 1.30 0.57 2.90 2.20 -1.26 0.65 119.74 126.25 1nbe s LYS 94 Ca -0.01 -2.04 -0.04 0.00 -0.36 0.00 0.00 55.97 53.52 1nbe s LYS 94 Cb -0.02 -2.33 0.02 0.00 -1.51 0.00 0.00 37.83 33.99 1nbe s LYS 94 CO -0.00 -1.17 0.85 -1.12 -0.36 0.00 0.00 175.35 173.54 1nbe s SER 95 N 0.30 5.48 -0.02 1.43 0.01 0.93 -4.92 113.70 116.91 1nbe s SER 95 Ca 0.18 0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.92 1nbe s SER 95 Cb -0.23 -1.46 0.02 0.00 0.21 0.00 0.00 66.02 64.57 1nbe s SER 95 CO -0.01 -1.08 0.02 -0.13 0.41 0.00 0.00 173.24 172.45 1nbe s ARG 96 N -4.90 0.02 0.26 12.44 1.81 -1.26 -1.47 118.95 125.85 1nbe s ARG 96 Ca 0.54 0.12 -0.29 0.00 -1.72 0.00 0.00 55.73 54.39 1nbe s ARG 96 Cb -0.10 -0.22 -0.15 0.00 -0.45 0.00 0.00 34.95 34.03 1nbe s ARG 96 CO 0.43 -0.12 0.96 -2.30 -0.68 0.00 0.00 175.30 173.59 1nbe n PRO 97 N 3.88 1.13 -3.94 3.54 -0.02 -1.26 -4.93 135.00 133.41 1nbe n PRO 97 Ca -0.24 0.40 -0.12 0.00 -2.02 0.00 0.00 63.50 61.52 1nbe n PRO 97 Cb 0.53 -1.73 -0.14 0.00 -0.02 0.00 0.00 33.50 32.14 1nbe n PRO 97 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1nbe s SER 98 N -0.55 0.16 -0.34 2.55 0.15 -1.26 -4.92 113.70 109.48 1nbe s SER 98 Ca 0.61 -0.09 -0.36 0.00 0.70 0.00 0.00 55.95 56.81 1nbe s SER 98 Cb -0.75 0.00 -0.12 0.00 -1.71 0.00 0.00 66.02 63.44 1nbe s SER 98 CO 0.58 -0.03 2.15 0.18 1.20 0.00 0.00 173.24 177.33 1nbe n LEU 99 N 2.84 2.10 0.00 3.45 4.77 -1.26 -4.60 117.00 124.30 1nbe n LEU 99 Ca -0.14 0.48 -0.18 0.00 -0.03 0.00 0.00 56.01 56.14 1nbe n LEU 99 Cb 0.59 -1.24 0.15 0.00 -2.33 0.00 0.00 43.42 40.59 1nbe n LEU 99 CO 0.25 -0.70 0.39 -0.81 -1.33 0.00 0.00 177.39 175.19 1nbe n PRO 100 N 7.96 -2.10 -0.03 3.23 -0.04 -1.26 -4.99 135.00 137.77 1nbe n PRO 100 Ca 0.41 -1.07 0.01 0.00 -0.04 0.00 0.00 63.50 62.80 1nbe n PRO 100 Cb 0.21 -0.96 -0.09 0.00 -0.04 0.00 0.00 33.50 32.62 1nbe n PRO 100 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1nbe n GLU 101 N -3.41 1.25 -3.80 0.54 1.02 -1.26 -4.73 120.64 110.24 1nbe n GLU 101 Ca 0.09 -0.06 -0.13 0.00 -0.02 0.00 0.00 57.16 57.04 1nbe n GLU 101 Cb 0.35 -1.27 -0.15 0.00 -0.02 0.00 0.00 31.44 30.36 1nbe n GLU 101 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1nbe s ARG 102 N -2.54 0.02 -0.31 3.49 3.52 -1.26 0.21 118.95 122.09 1nbe s ARG 102 Ca -0.05 0.16 0.03 0.00 -0.13 0.00 0.00 55.73 55.75 1nbe s ARG 102 Cb 0.05 -0.12 0.09 0.00 -1.56 0.00 0.00 34.95 33.41 1nbe s ARG 102 CO 0.45 -0.10 0.02 0.42 -0.81 0.00 0.00 175.30 175.28 1nbe s ILE 103 N 0.63 1.95 0.51 4.11 1.01 -0.82 -4.96 121.20 123.64 1nbe s ILE 103 Ca -0.05 -1.93 -0.13 0.00 0.00 0.00 0.00 60.65 58.54 1nbe s ILE 103 Cb -0.07 -2.34 -0.06 0.00 0.01 0.00 0.00 42.46 39.99 1nbe s ILE 103 CO -0.02 -0.45 0.94 -1.81 0.00 0.00 0.00 174.94 173.59 1nbe s ASP 104 N 1.11 6.48 0.00 3.58 1.11 -1.26 -3.28 116.67 124.41 1nbe s ASP 104 Ca 0.05 1.39 0.00 0.00 0.18 0.00 0.00 52.55 54.17 1nbe s ASP 104 Cb -0.19 -2.44 0.00 0.00 1.07 0.00 0.00 42.92 41.36 1nbe s ASP 104 CO -0.10 -0.62 0.00 -0.46 1.18 0.00 0.00 175.17 175.18 1nbe n ASN 105 N -1.86 0.00 0.00 0.27 6.94 0.99 -4.55 115.26 117.06 1nbe n ASN 105 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.61 1nbe n ASN 105 Cb 0.54 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 1nbe n ASN 105 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1nbe n VAL 106 N -0.73 0.00 -3.74 3.53 0.24 -1.26 -4.79 118.33 111.58 1nbe n VAL 106 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 1nbe n VAL 106 Cb 0.00 -0.22 -0.02 0.00 -1.47 0.00 0.00 33.84 32.13 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 -1.89 4.20 -0.13 1.34 1.43 -1.26 -5.09 118.68 117.27 1nbe s LEU 107 Ca 0.00 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 1nbe s LEU 107 Cb 0.00 -3.03 0.01 0.00 0.03 0.00 0.00 46.19 43.19 1nbe s LEU 107 CO 0.00 -0.16 -0.21 -0.69 0.23 0.00 0.00 176.35 175.52 1nbe s VAL 108 N -2.11 2.19 -0.15 -1.59 1.01 -1.26 -4.72 120.40 113.76 1nbe s VAL 108 Ca 0.36 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 1nbe s VAL 108 Cb -0.09 -1.88 -0.06 0.00 0.00 0.00 0.00 36.38 34.36 1nbe s VAL 108 CO 0.32 0.55 2.06 0.00 0.00 0.00 0.00 175.10 178.02 1nbe h PRO 110 N 13.22 0.00 -6.42 0.00 0.13 -1.92 -3.39 132.00 133.63 1nbe h PRO 110 Ca -0.42 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.14 1nbe h PRO 110 Cb 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 1nbe h PRO 110 CO 0.96 0.00 1.15 1.21 -0.23 0.00 0.00 178.00 181.10 1nbe s ASN 111 N -5.09 6.13 0.52 1.44 3.84 -1.26 -4.85 114.94 115.67 1nbe s ASN 111 Ca -0.05 0.94 0.31 0.00 0.21 0.00 0.00 52.86 54.27 1nbe s ASN 111 Cb 0.12 -2.54 1.27 0.00 -0.55 0.00 0.00 41.25 39.56 1nbe s ASN 111 CO 0.40 -1.58 1.95 0.77 -2.79 0.00 0.00 177.10 175.85 1nbe h SER 112 N 11.63 0.00 -0.54 -4.21 4.64 -2.02 -2.34 113.55 120.71 1nbe h SER 112 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1nbe h SER 112 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1nbe h SER 112 CO 1.08 0.06 0.00 -3.20 -0.87 0.00 0.00 176.83 173.90 1nbe n ASN 113 N -3.19 4.33 -4.67 4.97 5.15 -1.26 -4.93 115.26 115.66 1nbe n ASN 113 Ca 0.00 -2.47 -0.42 0.00 -0.60 0.00 0.00 54.58 51.09 1nbe n ASN 113 Cb 0.33 -0.56 -0.03 0.00 -0.53 0.00 0.00 39.78 38.99 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 5.25 0.23 -0.38 0.00 6.09 -1.91 -1.16 117.51 125.62 1nbe h ILE 115 Ca -0.26 0.00 0.11 0.00 -1.37 0.00 0.00 64.86 63.34 1nbe h ILE 115 Cb 1.11 0.57 -0.02 0.00 0.47 0.00 0.00 36.82 38.96 1nbe h ILE 115 CO 0.90 0.00 0.35 0.77 -3.07 0.00 0.00 178.15 177.10 1nbe h SER 116 N 0.00 0.00 -0.30 2.19 4.64 -1.93 -3.08 113.55 115.06 1nbe h SER 116 Ca 0.16 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.46 1nbe h SER 116 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1nbe h SER 116 CO -0.00 0.00 0.09 0.45 -0.87 0.00 0.00 176.83 176.50 1nbe h HIS 117 N 0.00 0.49 0.00 4.77 3.86 -1.57 -3.37 115.15 119.33 1nbe h HIS 117 Ca 0.18 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 1nbe h HIS 117 Cb 0.89 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 29.21 1nbe h HIS 117 CO 0.00 0.51 -0.24 0.00 0.86 0.00 0.00 177.93 179.06 1nbe h ALA 118 N 0.93 0.03 -2.10 2.45 0.00 -1.78 -3.49 119.26 115.30 1nbe h ALA 118 Ca 0.10 -0.33 -0.51 0.00 0.00 0.00 0.00 54.91 54.17 1nbe h ALA 118 Cb 0.25 0.19 0.22 0.00 0.00 0.00 0.00 17.79 18.45 1nbe h ALA 118 CO -0.00 0.19 -0.45 0.39 0.00 0.00 0.00 179.25 179.38 1nbe n GLU 119 N -4.68 -0.78 -1.57 0.00 -0.58 -1.24 -4.87 120.64 106.92 1nbe n GLU 119 Ca -0.07 -0.19 -0.41 0.00 -0.42 0.00 0.00 57.16 56.08 1nbe n GLU 119 Cb 0.21 -1.97 -0.01 0.00 -0.57 0.00 0.00 31.44 29.11 1nbe n GLU 119 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1nbe n PRO 120 N -2.63 3.13 -4.25 3.49 -0.02 -1.26 -4.91 135.00 128.55 1nbe n PRO 120 Ca 0.06 -2.44 -0.17 0.00 -2.02 0.00 0.00 63.50 58.93 1nbe n PRO 120 Cb 0.55 -3.10 -0.11 0.00 -0.02 0.00 0.00 33.50 30.82 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 2.86 1.34 0.10 -1.45 -7.23 -1.26 -5.13 120.40 109.63 1nbe s VAL 121 Ca 0.55 -1.82 -0.14 0.00 -1.81 0.00 0.00 61.98 58.76 1nbe s VAL 121 Cb 0.15 -1.63 -0.06 0.00 0.56 0.00 0.00 36.38 35.40 1nbe s VAL 121 CO -0.08 -0.49 0.49 -0.44 -0.31 0.00 0.00 175.10 174.28 1nbe s SER 122 N -2.65 6.81 0.72 4.85 0.01 -1.26 -5.05 113.70 117.13 1nbe s SER 122 Ca 0.11 1.02 -0.13 0.00 1.31 0.00 0.00 55.95 58.26 1nbe s SER 122 Cb -0.03 -2.27 0.03 0.00 0.21 0.00 0.00 66.02 63.97 1nbe s SER 122 CO 0.03 0.18 1.12 -0.94 0.41 0.00 0.00 173.24 174.04 1nbe s SER 123 N -1.54 4.60 -0.30 2.44 1.04 -1.26 -4.73 113.70 113.95 1nbe s SER 123 Ca 0.33 2.03 -0.10 0.00 0.48 0.00 0.00 55.95 58.69 1nbe s SER 123 Cb -0.16 -2.55 0.14 0.00 0.10 0.00 0.00 66.02 63.56 1nbe s SER 123 CO 0.18 -1.97 0.70 -0.55 0.98 0.00 0.00 173.24 172.57 1nbe s SER 124 N -2.72 -1.09 -0.08 7.02 0.15 -1.26 -0.00 113.70 115.72 1nbe s SER 124 Ca 0.67 1.35 0.05 0.00 0.70 0.00 0.00 55.95 58.71 1nbe s SER 124 Cb -0.21 2.18 -0.00 0.00 -1.71 0.00 0.00 66.02 66.28 1nbe s SER 124 CO 0.47 -0.21 -0.23 -0.36 1.20 0.00 0.00 173.24 174.12 1nbe s PHE 125 N 2.83 2.35 -0.18 3.44 0.40 -1.20 -1.32 117.98 124.29 1nbe s PHE 125 Ca -0.02 -0.84 -0.27 0.00 -0.60 0.00 0.00 56.93 55.20 1nbe s PHE 125 Cb -0.12 -1.57 -0.01 0.00 0.51 0.00 0.00 43.02 41.84 1nbe s PHE 125 CO -0.19 -0.31 0.90 0.00 0.70 0.00 0.00 175.22 176.32 1nbe s ALA 126 N 0.16 3.54 0.38 5.36 0.00 -0.14 -1.94 121.76 129.13 1nbe s ALA 126 Ca -0.12 0.10 -0.18 0.00 0.00 0.00 0.00 51.96 51.76 1nbe s ALA 126 Cb -0.16 -3.33 -0.10 0.00 0.00 0.00 0.00 23.12 19.53 1nbe s ALA 126 CO 0.06 -0.75 0.86 0.08 0.00 0.00 0.00 175.76 176.01 1nbe s VAL 127 N 2.39 4.52 -0.28 0.00 1.01 0.13 -1.29 120.40 126.89 1nbe s VAL 127 Ca 0.41 1.24 -0.09 0.00 0.00 0.00 0.00 61.98 63.53 1nbe s VAL 127 Cb -0.16 -3.61 0.12 0.00 0.00 0.00 0.00 36.38 32.73 1nbe s VAL 127 CO 0.12 -0.27 0.60 -0.60 0.00 0.00 0.00 175.10 174.95 1nbe s ARG 128 N -3.11 0.53 0.31 2.72 3.52 -1.07 -4.85 118.95 116.99 1nbe s ARG 128 Ca 0.58 1.36 -0.07 0.00 -0.13 0.00 0.00 55.73 57.48 1nbe s ARG 128 Cb -0.10 0.74 -0.06 0.00 -1.56 0.00 0.00 34.95 33.98 1nbe s ARG 128 CO 0.15 -0.21 0.60 0.21 -0.81 0.00 0.00 175.30 175.24 1nbe s LYS 129 N 2.80 3.69 -0.25 5.12 2.20 -1.26 -1.95 119.74 130.07 1nbe s LYS 129 Ca -0.05 0.15 -0.04 0.00 -0.36 0.00 0.00 55.97 55.66 1nbe s LYS 129 Cb -0.12 -2.59 0.14 0.00 -1.51 0.00 0.00 37.83 33.75 1nbe s LYS 129 CO -0.18 0.17 0.47 0.50 -0.36 0.00 0.00 175.35 175.96 1nbe s ARG 130 N -3.51 0.42 -0.15 4.03 3.52 -0.77 -4.88 118.95 117.62 1nbe s ARG 130 Ca 0.46 0.86 -0.01 0.00 -0.13 0.00 0.00 55.73 56.91 1nbe s ARG 130 Cb -0.11 0.10 0.01 0.00 -1.56 0.00 0.00 34.95 33.39 1nbe s ARG 130 CO 0.29 -0.51 0.03 0.00 -0.81 0.00 0.00 175.30 174.29 1nbe n ALA 131 N 5.40 -1.00 -1.03 6.12 0.00 -1.26 0.34 120.51 129.08 1nbe n ALA 131 Ca -0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.38 1nbe n ALA 131 Cb 0.50 -0.65 -0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 -1.56 -3.33 -4.57 0.00 5.15 -1.26 -5.02 115.26 104.66 1nbe n ASN 132 Ca -0.00 0.03 -0.36 0.00 -0.60 0.00 0.00 54.58 53.64 1nbe n ASN 132 Cb 0.50 -0.93 -0.11 0.00 -0.53 0.00 0.00 39.78 38.72 1nbe n ASN 132 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1nbe s ASP 133 N -2.42 5.62 -0.41 1.20 2.15 1.03 -5.05 116.67 118.79 1nbe s ASP 133 Ca 0.00 -0.02 -0.21 0.00 0.43 0.00 0.00 52.55 52.76 1nbe s ASP 133 Cb 0.00 -2.00 0.02 0.00 -0.30 0.00 0.00 42.92 40.64 1nbe s ASP 133 CO 0.00 0.06 0.64 -0.63 -0.17 0.00 0.00 175.17 175.06 1nbe s ILE 134 N 1.10 4.85 0.12 4.11 1.09 -1.26 -1.86 121.20 129.35 1nbe s ILE 134 Ca 0.05 0.28 -0.19 0.00 -1.10 0.00 0.00 60.65 59.69 1nbe s ILE 134 Cb -0.14 -4.15 -0.07 0.00 -1.06 0.00 0.00 42.46 37.04 1nbe s ILE 134 CO 0.04 -0.49 0.61 0.00 -0.10 0.00 0.00 174.94 175.00 1nbe s ALA 135 N 2.77 3.55 -0.08 9.38 0.00 -0.82 -1.07 121.76 135.49 1nbe s ALA 135 Ca 0.23 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.28 1nbe s ALA 135 Cb -0.14 -2.67 0.01 0.00 0.00 0.00 0.00 23.12 20.31 1nbe s ALA 135 CO 0.17 0.39 -0.16 -0.51 0.00 0.00 0.00 175.76 175.65 1nbe s LEU 136 N -1.40 1.80 -0.29 0.00 1.43 0.32 -2.59 118.68 117.96 1nbe s LEU 136 Ca 0.33 -0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 53.00 1nbe s LEU 136 Cb -0.19 -1.02 0.02 0.00 0.03 0.00 0.00 46.19 45.04 1nbe s LEU 136 CO 0.20 0.08 0.04 -0.75 0.23 0.00 0.00 176.35 176.15 1nbe s LYS 137 N 0.53 2.89 0.16 1.70 2.20 -0.41 -1.10 119.74 125.70 1nbe s LYS 137 Ca -0.15 -0.98 -0.31 0.00 -0.36 0.00 0.00 55.97 54.16 1nbe s LYS 137 Cb -0.16 -3.26 -0.10 0.00 -1.51 0.00 0.00 37.83 32.80 1nbe s LYS 137 CO 0.05 -0.48 1.61 0.00 -0.36 0.00 0.00 175.35 176.17 1nbe h LYS 139 N 7.05 0.00 0.00 0.00 3.64 -1.55 -0.63 116.57 125.07 1nbe h LYS 139 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1nbe h LYS 139 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1nbe h LYS 139 CO 0.92 0.01 -0.07 0.66 -2.27 0.00 0.00 179.45 178.70 1nbe n TYR 140 N -4.49 0.10 0.62 1.91 4.01 -1.26 -4.39 117.16 113.65 1nbe n TYR 140 Ca -0.03 0.04 0.08 0.00 -0.16 0.00 0.00 57.90 57.83 1nbe n TYR 140 Cb 0.09 -0.27 0.37 0.00 -0.31 0.00 0.00 39.34 39.22 1nbe n TYR 140 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nbe n GLU 142 N -1.46 -1.72 -2.69 0.00 1.02 -0.24 -4.99 120.64 110.55 1nbe n GLU 142 Ca 0.05 0.71 -0.32 0.00 -0.02 0.00 0.00 57.16 57.58 1nbe n GLU 142 Cb 0.18 -5.09 -0.04 0.00 -0.02 0.00 0.00 31.44 26.46 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 -2.46 3.96 -0.11 3.49 -0.14 -1.25 -4.77 119.74 118.46 1nbe s LYS 143 Ca 0.00 0.82 0.01 0.00 -1.36 0.00 0.00 55.97 55.44 1nbe s LYS 143 Cb 0.00 -2.25 -0.02 0.00 -1.68 0.00 0.00 37.83 33.88 1nbe s LYS 143 CO 0.00 -0.11 -0.15 -2.00 -0.76 0.00 0.00 175.35 172.33 1nbe s GLU 144 N -3.70 3.12 0.36 1.68 2.12 -1.26 -1.84 118.70 119.18 1nbe s GLU 144 Ca 0.57 -0.72 0.04 0.00 0.36 0.00 0.00 54.97 55.22 1nbe s GLU 144 Cb -0.10 -2.52 -0.06 0.00 0.26 0.00 0.00 34.13 31.71 1nbe s GLU 144 CO 0.26 0.31 0.05 -0.06 -0.54 0.00 0.00 175.26 175.28 1nbe s PHE 145 N 0.09 2.09 0.14 5.30 0.08 -0.26 -4.96 117.98 120.47 1nbe s PHE 145 Ca -0.07 -0.91 -0.13 0.00 0.12 0.00 0.00 56.93 55.95 1nbe s PHE 145 Cb -0.15 -1.42 -0.07 0.00 -0.57 0.00 0.00 43.02 40.82 1nbe s PHE 145 CO 0.05 0.11 0.52 0.45 -0.10 0.00 0.00 175.22 176.25 1nbe s SER 146 N -3.57 6.76 0.55 1.36 0.15 -1.26 -0.52 113.70 117.17 1nbe s SER 146 Ca 0.34 1.00 0.23 0.00 0.70 0.00 0.00 55.95 58.22 1nbe s SER 146 Cb 0.08 -2.26 1.51 0.00 -1.71 0.00 0.00 66.02 63.64 1nbe s SER 146 CO 0.16 0.09 2.15 1.12 1.20 0.00 0.00 173.24 177.96 1nbe h HIS 147 N 3.45 0.00 -0.61 3.44 2.07 -1.44 0.52 115.15 122.59 1nbe h HIS 147 Ca -0.48 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.06 1nbe h HIS 147 Cb 1.19 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.13 1nbe h HIS 147 CO 0.65 0.00 0.37 -0.91 -3.07 0.00 0.00 177.93 174.97 1nbe h ASN 148 N 0.00 0.61 -0.17 3.10 -0.26 -1.93 0.15 115.58 117.08 1nbe h ASN 148 Ca 0.05 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.76 1nbe h ASN 148 Cb 0.22 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 1nbe h ASN 148 CO -0.00 0.42 -0.02 0.58 -1.06 0.00 0.00 177.43 177.35 1nbe h VAL 149 N 0.73 1.27 -0.08 2.81 2.07 -1.30 -2.94 116.25 118.82 1nbe h VAL 149 Ca 0.25 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1nbe h VAL 149 Cb 0.02 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1nbe h VAL 149 CO -0.10 0.28 -0.01 0.58 0.02 0.00 0.00 177.57 178.33 1nbe h VAL 150 N 0.05 1.28 -0.02 2.57 2.07 -1.16 -3.08 116.25 117.97 1nbe h VAL 150 Ca 0.05 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.67 1nbe h VAL 150 Cb 0.43 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1nbe h VAL 150 CO 0.01 0.25 0.04 -0.07 0.02 0.00 0.00 177.57 177.83 1nbe h LEU 151 N -0.18 0.00 0.00 2.57 3.38 -0.78 0.83 115.31 121.13 1nbe h LEU 151 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1nbe h LEU 151 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1nbe h LEU 151 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 1nbe n ALA 152 N -2.17 1.39 -0.93 1.53 0.00 -1.11 -5.09 120.51 114.12 1nbe n ALA 152 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1nbe n ALA 152 Cb 0.12 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1nbe n ALA 152 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59