#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b9m s ARG 3 N 0.00 4.17 -0.12 0.54 0.52 -1.26 -5.08 118.95 117.72 2b9m s ARG 3 Ca 0.00 0.82 -0.04 0.00 -0.52 0.00 0.00 55.73 55.99 2b9m s ARG 3 Cb 0.00 -2.68 0.06 0.00 0.52 0.00 0.00 34.95 32.85 2b9m s ARG 3 CO 0.00 0.29 0.21 -1.54 0.02 0.00 0.00 175.30 174.27 2b9m s SER 4 N -1.90 0.77 -0.10 0.23 1.04 -1.26 -5.00 113.70 107.48 2b9m s SER 4 Ca 0.48 0.30 0.13 0.00 0.48 0.00 0.00 55.95 57.34 2b9m s SER 4 Cb -0.14 0.43 0.23 0.00 0.10 0.00 0.00 66.02 66.65 2b9m s SER 4 CO 0.19 -0.26 1.12 0.18 0.98 0.00 0.00 173.24 175.45 2b9m n LEU 5 N 5.33 1.70 0.00 2.42 4.77 -1.26 -5.12 117.00 124.85 2b9m n LEU 5 Ca -0.05 -2.57 0.00 0.00 -0.03 0.00 0.00 56.01 53.36 2b9m n LEU 5 Cb 0.50 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2b9m n LEU 5 CO 0.05 0.65 0.00 0.29 -1.33 0.00 0.00 177.39 177.05 2b9m n LYS 6 N -0.94 0.00 -2.00 3.23 5.02 -1.26 -3.93 118.16 118.28 2b9m n LYS 6 Ca 0.12 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.08 2b9m n LYS 6 Cb 0.68 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.73 2b9m n LYS 6 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2b9m n LYS 7 N 6.94 3.06 0.00 1.97 2.85 -1.26 -4.77 118.16 126.95 2b9m n LYS 7 Ca 0.00 -3.87 0.00 0.00 -1.05 0.00 0.00 58.31 53.39 2b9m n LYS 7 Cb 0.00 -2.27 0.00 0.00 -0.65 0.00 0.00 35.03 32.11 2b9m n LYS 7 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2b9m n GLY 8 N -0.61 -1.54 3.62 2.58 0.00 -1.25 -5.12 105.19 102.86 2b9m n GLY 8 Ca 0.50 0.93 -0.43 0.00 0.00 0.00 0.00 46.02 47.02 2b9m n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b9m s VAL 9 N 0.00 3.19 -0.27 1.61 1.01 -1.26 -4.94 120.40 119.74 2b9m s VAL 9 Ca 0.00 0.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.90 2b9m s VAL 9 Cb 0.00 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.18 2b9m s VAL 9 CO 0.00 -0.11 1.01 0.12 0.00 0.00 0.00 175.10 176.13 2b9m s PHE 10 N 6.76 3.25 -0.74 5.22 5.36 -1.26 -4.98 117.98 131.59 2b9m s PHE 10 Ca 0.90 1.27 -0.02 0.00 -0.96 0.00 0.00 56.93 58.13 2b9m s PHE 10 Cb -0.32 -3.42 0.18 0.00 -0.34 0.00 0.00 43.02 39.12 2b9m s PHE 10 CO 0.35 -0.60 0.58 0.08 -1.46 0.00 0.00 175.22 174.17 2b9m s VAL 11 N 3.33 3.87 -0.33 3.12 1.01 -1.26 -3.56 120.40 126.58 2b9m s VAL 11 Ca 0.43 -3.46 -0.30 0.00 0.00 0.00 0.00 61.98 58.65 2b9m s VAL 11 Cb -0.14 -3.47 -0.13 0.00 0.00 0.00 0.00 36.38 32.64 2b9m s VAL 11 CO 0.10 -0.97 1.24 0.47 0.00 0.00 0.00 175.10 175.94 2b9m n ASP 12 N 2.87 0.62 -0.32 3.32 9.92 -1.26 -4.53 116.55 127.17 2b9m n ASP 12 Ca 0.14 0.59 0.35 0.00 -0.53 0.00 0.00 54.79 55.35 2b9m n ASP 12 Cb 0.37 -0.58 0.75 0.00 -0.64 0.00 0.00 41.12 41.02 2b9m n ASP 12 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 2b9m h ASP 13 N 4.70 0.00 -0.97 -2.24 -0.00 -1.97 -2.85 116.42 113.09 2b9m h ASP 13 Ca -0.16 0.00 0.09 0.00 -0.00 0.00 0.00 57.03 56.95 2b9m h ASP 13 Cb 0.91 0.00 -0.12 0.00 -0.00 0.00 0.00 39.33 40.12 2b9m h ASP 13 CO 0.68 0.00 -0.57 1.41 -0.00 0.00 0.00 179.24 180.76 2b9m n HIS 14 N -4.11 -0.43 0.03 4.15 8.25 -1.26 -0.56 115.22 121.30 2b9m n HIS 14 Ca 0.26 1.21 -0.06 0.00 -0.26 0.00 0.00 57.72 58.86 2b9m n HIS 14 Cb 1.27 -0.58 -0.11 0.00 1.12 0.00 0.00 29.99 31.69 2b9m n HIS 14 CO 0.00 0.00 0.00 1.37 0.64 0.00 0.00 176.34 178.35 2b9m h LEU 15 N 0.00 0.00 -1.66 2.41 -0.00 -1.85 -3.02 115.31 111.20 2b9m h LEU 15 Ca 0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.03 2b9m h LEU 15 Cb 0.40 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.04 2b9m h LEU 15 CO -0.91 0.93 0.18 0.25 -0.00 0.00 0.00 178.44 178.89 2b9m h LEU 16 N 0.00 0.35 0.00 0.17 5.85 -1.30 0.19 115.31 120.57 2b9m h LEU 16 Ca -0.12 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.45 2b9m h LEU 16 Cb 1.82 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.74 2b9m h LEU 16 CO 0.10 0.28 -1.38 -1.84 -0.34 0.00 0.00 178.44 175.26 2b9m n GLU 17 N -4.47 0.62 0.24 1.25 0.28 0.28 -3.70 120.64 115.14 2b9m n GLU 17 Ca 0.01 0.18 0.13 0.00 -0.16 0.00 0.00 57.16 57.32 2b9m n GLU 17 Cb 0.09 -1.79 0.43 0.00 1.43 0.00 0.00 31.44 31.59 2b9m n GLU 17 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 2b9m h LYS 18 N 0.00 0.00 0.11 3.44 1.63 -1.14 -3.07 116.57 117.53 2b9m h LYS 18 Ca -0.13 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.38 2b9m h LYS 18 Cb 1.46 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.08 2b9m h LYS 18 CO 0.03 0.09 -1.46 -0.24 -3.45 0.00 0.00 179.45 174.43 2b9m h VAL 19 N 0.00 0.99 0.00 2.00 3.04 -0.80 -3.12 116.25 118.36 2b9m h VAL 19 Ca -0.00 -2.39 -0.06 0.00 -1.01 0.00 0.00 66.70 63.24 2b9m h VAL 19 Cb 0.78 2.67 -0.01 0.00 -2.01 0.00 0.00 31.29 32.72 2b9m h VAL 19 CO 0.01 0.70 -0.30 0.17 -1.01 0.00 0.00 177.57 177.15 2b9m h LEU 20 N -0.30 0.00 0.00 3.16 8.10 -1.64 0.23 115.31 124.87 2b9m h LEU 20 Ca -0.32 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.59 2b9m h LEU 20 Cb 1.76 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.97 2b9m h LEU 20 CO 0.05 0.30 -1.02 -0.33 -4.11 0.00 0.00 178.44 173.33 2b9m h GLU 21 N 0.00 0.00 -0.63 0.17 5.08 -1.71 -3.19 114.58 114.30 2b9m h GLU 21 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2b9m h GLU 21 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2b9m h GLU 21 CO 0.04 0.18 0.00 1.28 -1.00 0.00 0.00 179.01 179.51 2b9m n LEU 22 N -2.87 4.00 0.05 1.33 4.77 -0.97 -3.93 117.00 119.38 2b9m n LEU 22 Ca -0.03 -2.02 0.05 0.00 -0.03 0.00 0.00 56.01 53.98 2b9m n LEU 22 Cb 0.69 -0.52 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 2b9m n LEU 22 CO 0.41 0.68 -0.25 -3.20 -1.33 0.00 0.00 177.39 173.70 2b9m n ASN 23 N 0.89 0.76 0.05 -1.43 2.85 0.03 -3.97 115.26 114.45 2b9m n ASN 23 Ca 0.21 0.32 -0.20 0.00 -0.11 0.00 0.00 54.58 54.79 2b9m n ASN 23 Cb 0.75 0.44 -0.11 0.00 1.24 0.00 0.00 39.78 42.10 2b9m n ASN 23 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2b9m h ALA 24 N 1.67 0.08 -0.10 5.20 0.00 -1.71 -3.19 119.26 121.20 2b9m h ALA 24 Ca -0.10 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 2b9m h ALA 24 Cb 1.34 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 2b9m h ALA 24 CO 0.02 0.63 0.01 1.63 0.00 0.00 0.00 179.25 181.55 2b9m n LYS 25 N -3.90 1.59 0.00 0.00 4.01 -1.26 -4.93 118.16 113.67 2b9m n LYS 25 Ca -0.12 -0.50 0.00 0.00 -0.51 0.00 0.00 58.31 57.18 2b9m n LYS 25 Cb 0.88 -1.58 0.00 0.00 -0.51 0.00 0.00 35.03 33.82 2b9m n LYS 25 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2b9m n GLY 26 N 0.11 1.87 0.28 0.72 0.00 -1.21 -4.73 105.19 102.24 2b9m n GLY 26 Ca 0.05 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 2b9m n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2b9m n GLU 27 N 0.00 0.06 0.00 1.61 1.02 -1.25 -4.38 120.64 117.69 2b9m n GLU 27 Ca 0.00 -0.23 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 2b9m n GLU 27 Cb 0.00 0.23 0.00 0.00 -0.02 0.00 0.00 31.44 31.65 2b9m n GLU 27 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2b9m n LYS 28 N -0.05 0.00 -3.34 3.49 4.81 -1.26 -5.04 118.16 116.77 2b9m n LYS 28 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.34 2b9m n LYS 28 Cb 0.05 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.03 2b9m n LYS 28 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2b9m s ARG 29 N 3.58 0.38 0.25 1.64 0.52 -1.26 -5.08 118.95 118.98 2b9m s ARG 29 Ca 0.00 0.20 0.00 0.00 -0.52 0.00 0.00 55.73 55.41 2b9m s ARG 29 Cb 0.00 -0.43 0.00 0.00 0.52 0.00 0.00 34.95 35.04 2b9m s ARG 29 CO 0.00 -0.92 0.00 -0.11 0.02 0.00 0.00 175.30 174.29 2b9m n LEU 30 N 5.35 -1.24 -3.66 2.53 0.00 -1.26 -5.05 117.00 113.66 2b9m n LEU 30 Ca -0.01 1.37 -0.14 0.00 0.00 0.00 0.00 56.01 57.23 2b9m n LEU 30 Cb 0.49 -0.86 -0.14 0.00 0.00 0.00 0.00 43.42 42.92 2b9m n LEU 30 CO 0.01 -0.02 -0.15 -0.63 0.00 0.00 0.00 177.39 176.59 2b9m s ILE 31 N -3.47 -0.39 -0.69 1.96 -1.09 -0.98 -5.01 121.20 111.53 2b9m s ILE 31 Ca 0.00 0.29 -0.23 0.00 -2.23 0.00 0.00 60.65 58.48 2b9m s ILE 31 Cb 0.00 -0.42 0.07 0.00 -1.58 0.00 0.00 42.46 40.53 2b9m s ILE 31 CO 0.00 0.12 1.03 -1.59 -1.23 0.00 0.00 174.94 173.27 2b9m s LYS 32 N 2.40 3.16 -0.17 2.79 -2.85 -1.26 -0.95 119.74 122.86 2b9m s LYS 32 Ca 0.02 -0.82 -0.09 0.00 -1.00 0.00 0.00 55.97 54.08 2b9m s LYS 32 Cb -0.12 -4.29 -0.05 0.00 -2.06 0.00 0.00 37.83 31.32 2b9m s LYS 32 CO -0.08 -1.87 0.13 0.99 0.10 0.00 0.00 175.35 174.62 2b9m s THR 33 N 4.23 5.41 -0.18 3.79 2.01 -1.18 -4.96 115.64 124.75 2b9m s THR 33 Ca 0.25 0.18 -0.16 0.00 0.31 0.00 0.00 61.69 62.28 2b9m s THR 33 Cb -0.15 -3.43 -0.21 0.00 0.01 0.00 0.00 72.50 68.72 2b9m s THR 33 CO 0.09 0.50 0.22 0.79 -0.69 0.00 0.00 174.62 175.53 2b9m n TRP 34 N 3.04 1.02 -2.06 4.92 8.01 -1.26 -4.22 117.44 126.88 2b9m n TRP 34 Ca -0.17 0.35 -0.37 0.00 -1.31 0.00 0.00 57.50 56.00 2b9m n TRP 34 Cb 0.53 -1.11 -0.03 0.00 -2.01 0.00 0.00 31.31 28.68 2b9m n TRP 34 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 2b9m s SER 35 N -6.95 5.29 -0.11 -0.99 0.15 -1.26 -4.76 113.70 105.08 2b9m s SER 35 Ca -0.27 0.15 0.16 0.00 0.70 0.00 0.00 55.95 56.68 2b9m s SER 35 Cb 0.07 -2.54 0.58 0.00 -1.71 0.00 0.00 66.02 62.42 2b9m s SER 35 CO 0.64 -2.41 1.49 -2.11 1.20 0.00 0.00 173.24 172.06 2b9m n ARG 36 N 9.15 3.37 0.00 5.44 1.85 -1.26 -4.28 116.66 130.93 2b9m n ARG 36 Ca 0.23 -2.69 0.15 0.00 -1.00 0.00 0.00 57.85 54.53 2b9m n ARG 36 Cb 0.51 -1.75 0.83 0.00 -1.05 0.00 0.00 32.46 31.00 2b9m n ARG 36 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2b9m n ARG 37 N 0.56 0.75 -2.82 2.89 5.12 -1.26 -3.35 116.66 118.55 2b9m n ARG 37 Ca 0.21 0.01 -0.40 0.00 -1.93 0.00 0.00 57.85 55.74 2b9m n ARG 37 Cb 0.79 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.54 2b9m n ARG 37 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2b9m s SER 38 N -2.19 7.44 -0.16 0.55 0.15 -1.26 -4.90 113.70 113.33 2b9m s SER 38 Ca 0.39 1.71 -0.21 0.00 0.70 0.00 0.00 55.95 58.54 2b9m s SER 38 Cb 0.20 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.93 2b9m s SER 38 CO 0.37 0.02 0.62 -0.89 1.20 0.00 0.00 173.24 174.56 2b9m s THR 39 N -0.30 5.05 0.43 6.45 2.01 -1.23 -1.45 115.64 126.60 2b9m s THR 39 Ca 0.43 1.20 -0.26 0.00 0.31 0.00 0.00 61.69 63.37 2b9m s THR 39 Cb -0.23 -3.94 -0.09 0.00 0.01 0.00 0.00 72.50 68.25 2b9m s THR 39 CO 0.28 0.17 1.39 -0.63 -0.69 0.00 0.00 174.62 175.14 2b9m s ILE 40 N 1.50 2.23 0.16 1.82 1.01 0.26 -4.74 121.20 123.43 2b9m s ILE 40 Ca 0.30 0.21 0.08 0.00 0.00 0.00 0.00 60.65 61.24 2b9m s ILE 40 Cb -0.16 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 2b9m s ILE 40 CO 0.12 0.03 -0.18 0.68 0.00 0.00 0.00 174.94 175.59 2b9m s VAL 41 N -1.21 1.78 0.60 2.92 -7.23 -1.26 -4.14 120.40 111.86 2b9m s VAL 41 Ca 0.59 -1.89 0.27 0.00 -1.81 0.00 0.00 61.98 59.15 2b9m s VAL 41 Cb -0.42 -1.81 0.39 0.00 0.56 0.00 0.00 36.38 35.10 2b9m s VAL 41 CO 0.54 -0.31 1.44 -0.65 -0.31 0.00 0.00 175.10 175.81 2b9m h PRO 42 N 3.31 0.00 0.00 4.82 0.11 -1.96 0.12 132.00 138.40 2b9m h PRO 42 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2b9m h PRO 42 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2b9m h PRO 42 CO 0.50 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.44 2b9m n GLU 43 N -3.34 0.86 -0.06 1.05 0.00 -1.26 -3.44 120.64 114.45 2b9m n GLU 43 Ca 0.20 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.43 2b9m n GLU 43 Cb 1.34 -1.41 0.10 0.00 0.00 0.00 0.00 31.44 31.46 2b9m n GLU 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2b9m n MET 44 N -0.91 1.47 -1.55 3.44 2.81 0.43 -4.96 117.12 117.85 2b9m n MET 44 Ca 0.17 -1.57 -0.34 0.00 -1.81 0.00 0.00 57.70 54.15 2b9m n MET 44 Cb 0.08 -1.28 -0.04 0.00 -0.71 0.00 0.00 33.22 31.26 2b9m n MET 44 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2b9m n VAL 45 N 0.77 -0.07 0.00 2.03 0.31 -1.22 -2.16 118.33 117.98 2b9m n VAL 45 Ca 0.10 -0.72 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 2b9m n VAL 45 Cb 0.38 -2.55 0.00 0.00 -0.91 0.00 0.00 33.84 30.76 2b9m n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2b9m n GLY 46 N 6.11 1.15 3.90 2.92 0.00 -0.88 -4.97 105.19 113.43 2b9m n GLY 46 Ca 0.40 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.14 2b9m n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2b9m s HIS 47 N -2.00 3.38 -0.18 1.61 4.02 -0.92 -4.77 115.29 116.43 2b9m s HIS 47 Ca 0.00 0.87 -0.01 0.00 1.02 0.00 0.00 55.06 56.94 2b9m s HIS 47 Cb 0.00 -2.76 -0.00 0.00 -1.02 0.00 0.00 32.58 28.80 2b9m s HIS 47 CO 0.00 -0.81 -0.12 0.99 1.02 0.00 0.00 174.74 175.82 2b9m s THR 48 N -3.08 2.88 -0.11 1.30 2.01 -1.26 -2.24 115.64 115.14 2b9m s THR 48 Ca 0.54 -0.68 -0.01 0.00 0.31 0.00 0.00 61.69 61.85 2b9m s THR 48 Cb -0.11 -2.25 0.03 0.00 0.01 0.00 0.00 72.50 70.18 2b9m s THR 48 CO 0.48 0.49 -0.06 -0.63 -0.69 0.00 0.00 174.62 174.21 2b9m s ILE 49 N 1.07 0.88 -0.51 1.82 1.01 -1.07 -2.31 121.20 122.09 2b9m s ILE 49 Ca -0.00 -0.21 -0.28 0.00 0.00 0.00 0.00 60.65 60.16 2b9m s ILE 49 Cb -0.15 -0.94 0.01 0.00 0.01 0.00 0.00 42.46 41.40 2b9m s ILE 49 CO -0.03 0.33 1.45 0.00 0.00 0.00 0.00 174.94 176.70 2b9m s ALA 50 N 1.77 2.86 0.01 9.38 0.00 -0.12 -2.42 121.76 133.24 2b9m s ALA 50 Ca 0.05 -0.46 -0.22 0.00 0.00 0.00 0.00 51.96 51.32 2b9m s ALA 50 Cb -0.13 -4.06 -0.05 0.00 0.00 0.00 0.00 23.12 18.89 2b9m s ALA 50 CO -0.08 -2.79 0.67 0.08 0.00 0.00 0.00 175.76 173.64 2b9m s VAL 51 N 6.04 4.85 -0.22 0.00 1.01 -0.72 -3.10 120.40 128.25 2b9m s VAL 51 Ca 0.57 1.41 -0.20 0.00 0.00 0.00 0.00 61.98 63.76 2b9m s VAL 51 Cb -0.12 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 2b9m s VAL 51 CO 0.28 0.39 0.60 -0.47 0.00 0.00 0.00 175.10 175.89 2b9m s TYR 52 N -0.08 3.33 -0.58 5.22 5.04 -1.26 -2.76 117.35 126.27 2b9m s TYR 52 Ca 0.34 0.83 0.24 0.00 -2.44 0.00 0.00 57.07 56.05 2b9m s TYR 52 Cb -0.19 -2.78 0.50 0.00 0.35 0.00 0.00 41.96 39.84 2b9m s TYR 52 CO 0.19 -0.22 1.57 -0.91 -1.34 0.00 0.00 175.55 174.84 2b9m h ASN 53 N 7.67 0.00 0.00 4.32 -0.26 -1.74 -3.46 115.58 122.10 2b9m h ASN 53 Ca -0.30 -0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.40 2b9m h ASN 53 Cb 1.14 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.40 2b9m h ASN 53 CO 0.76 0.02 0.00 0.61 -1.06 0.00 0.00 177.43 177.76 2b9m n GLY 54 N 1.24 1.61 1.98 2.83 0.00 -1.26 -4.85 105.19 106.73 2b9m n GLY 54 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2b9m n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2b9m n LYS 55 N -0.16 0.00 -4.17 1.61 4.81 -1.26 -5.14 118.16 113.85 2b9m n LYS 55 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.20 2b9m n LYS 55 Cb 0.00 -0.01 -0.06 0.00 0.02 0.00 0.00 35.03 34.98 2b9m n LYS 55 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2b9m s GLN 56 N -2.00 2.67 -0.23 1.64 -1.52 -1.26 -5.12 119.66 113.85 2b9m s GLN 56 Ca 0.00 -1.12 -0.07 0.00 -1.95 0.00 0.00 55.36 52.22 2b9m s GLN 56 Cb 0.00 -2.44 -0.03 0.00 -0.22 0.00 0.00 33.01 30.32 2b9m s GLN 56 CO 0.00 0.41 0.06 -1.01 -0.25 0.00 0.00 175.29 174.50 2b9m s HIS 57 N -2.05 3.10 -0.19 0.91 3.76 -1.26 -2.18 115.29 117.37 2b9m s HIS 57 Ca 0.31 -0.37 0.01 0.00 -0.15 0.00 0.00 55.06 54.87 2b9m s HIS 57 Cb -0.08 -2.20 0.04 0.00 1.11 0.00 0.00 32.58 31.45 2b9m s HIS 57 CO 0.22 -0.28 -0.11 0.14 -0.85 0.00 0.00 174.74 173.86 2b9m s VAL 58 N 1.37 1.66 -0.03 -0.90 -7.23 -1.11 -4.94 120.40 109.22 2b9m s VAL 58 Ca 0.05 -0.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.93 2b9m s VAL 58 Cb -0.15 -1.71 -0.06 0.00 0.56 0.00 0.00 36.38 35.02 2b9m s VAL 58 CO 0.03 0.21 1.56 -2.16 -0.31 0.00 0.00 175.10 174.43 2b9m s PRO 59 N 1.39 4.21 -0.11 4.82 0.04 -1.26 -1.75 135.00 142.33 2b9m s PRO 59 Ca -0.01 2.12 0.02 0.00 0.04 0.00 0.00 61.00 63.17 2b9m s PRO 59 Cb -0.16 -3.80 -0.01 0.00 0.04 0.00 0.00 34.50 30.57 2b9m s PRO 59 CO -0.09 -0.75 -0.18 0.08 0.04 0.00 0.00 177.00 176.10 2b9m s VAL 60 N 3.37 2.56 0.07 -0.36 1.01 -1.01 -4.91 120.40 121.12 2b9m s VAL 60 Ca 0.70 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 2b9m s VAL 60 Cb -0.33 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 2b9m s VAL 60 CO 0.28 0.54 0.95 -0.47 0.00 0.00 0.00 175.10 176.40 2b9m s TYR 61 N 0.33 3.75 -0.09 5.22 6.04 -1.26 -2.60 117.35 128.74 2b9m s TYR 61 Ca -0.15 1.73 -0.01 0.00 0.04 0.00 0.00 57.07 58.69 2b9m s TYR 61 Cb -0.17 -3.05 -0.03 0.00 -1.04 0.00 0.00 41.96 37.67 2b9m s TYR 61 CO 0.07 0.14 -0.05 -1.50 -1.54 0.00 0.00 175.55 172.67 2b9m s ILE 62 N 0.33 3.81 -0.15 3.14 1.10 -0.95 -5.05 121.20 123.43 2b9m s ILE 62 Ca 0.48 -0.43 -0.06 0.00 -0.51 0.00 0.00 60.65 60.13 2b9m s ILE 62 Cb -0.22 -2.59 0.06 0.00 0.15 0.00 0.00 42.46 39.86 2b9m s ILE 62 CO 0.29 0.57 0.33 -0.89 -2.11 0.00 0.00 174.94 173.13 2b9m s THR 63 N -0.52 -0.29 0.00 4.00 2.01 -1.26 -2.07 115.64 117.51 2b9m s THR 63 Ca 0.08 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.26 2b9m s THR 63 Cb -0.12 -0.52 0.00 0.00 0.01 0.00 0.00 72.50 71.87 2b9m s THR 63 CO 0.02 0.08 0.00 1.21 -0.69 0.00 0.00 174.62 175.24 2b9m n GLU 64 N 4.85 0.00 -0.08 4.92 4.07 -1.26 -2.09 120.64 131.05 2b9m n GLU 64 Ca -0.15 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.81 2b9m n GLU 64 Cb 0.52 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.88 2b9m n GLU 64 CO 0.00 0.00 0.00 -2.95 -0.06 0.00 0.00 177.13 174.12 2b9m h ASN 65 N 0.00 0.93 0.00 4.31 -1.07 -2.04 -3.26 115.58 114.45 2b9m h ASN 65 Ca 0.00 -0.47 0.00 0.00 0.07 0.00 0.00 56.30 55.90 2b9m h ASN 65 Cb 0.00 -0.27 0.00 0.00 -2.07 0.00 0.00 38.32 35.98 2b9m h ASN 65 CO 0.00 1.26 0.00 1.15 0.07 0.00 0.00 177.43 179.91 2b9m n MET 66 N -4.02 0.86 -0.03 4.14 0.00 -0.89 -4.01 117.12 113.18 2b9m n MET 66 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.55 2b9m n MET 66 Cb 0.60 -1.40 -0.10 0.00 0.00 0.00 0.00 33.22 32.32 2b9m n MET 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2b9m h VAL 67 N 0.01 1.30 0.00 3.17 2.07 -1.79 -3.36 116.25 117.64 2b9m h VAL 67 Ca 0.00 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 65.82 2b9m h VAL 67 Cb 0.46 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 2b9m h VAL 67 CO 0.00 0.39 0.00 0.61 0.02 0.00 0.00 177.57 178.59 2b9m n GLY 68 N 1.16 0.52 3.55 2.17 0.00 -1.26 -3.56 105.19 107.78 2b9m n GLY 68 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 2b9m n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2b9m s HIS 69 N -0.18 2.11 0.58 1.61 3.76 -1.26 -4.90 115.29 117.01 2b9m s HIS 69 Ca 0.00 -0.90 -0.10 0.00 -0.15 0.00 0.00 55.06 53.91 2b9m s HIS 69 Cb 0.00 -1.48 -0.04 0.00 1.11 0.00 0.00 32.58 32.17 2b9m s HIS 69 CO 0.00 0.15 0.96 0.15 -0.85 0.00 0.00 174.74 175.15 2b9m s LYS 70 N -3.81 3.62 0.30 1.40 1.02 -1.26 0.90 119.74 121.90 2b9m s LYS 70 Ca 0.30 0.63 -0.02 0.00 0.02 0.00 0.00 55.97 56.90 2b9m s LYS 70 Cb 0.07 -2.16 0.43 0.00 -0.52 0.00 0.00 37.83 35.66 2b9m s LYS 70 CO 0.15 -0.45 1.96 -0.07 -0.92 0.00 0.00 175.35 176.01 2b9m h LEU 71 N -0.07 0.95 -1.23 3.17 3.38 -1.35 -3.05 115.31 117.11 2b9m h LEU 71 Ca -0.45 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 2b9m h LEU 71 Cb 1.19 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 2b9m h LEU 71 CO 0.62 0.70 -0.05 1.23 0.09 0.00 0.00 178.44 181.03 2b9m h GLY 72 N 1.12 0.00 1.89 0.83 0.00 -1.84 -3.11 103.07 101.96 2b9m h GLY 72 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2b9m h GLY 72 CO -0.06 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.66 2b9m n GLU 73 N -3.16 0.05 -0.52 4.80 1.02 -1.15 -2.04 120.64 119.63 2b9m n GLU 73 Ca 0.01 0.25 0.08 0.00 -0.02 0.00 0.00 57.16 57.47 2b9m n GLU 73 Cb 0.36 -1.50 0.29 0.00 -0.02 0.00 0.00 31.44 30.56 2b9m n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2b9m n PHE 74 N -1.44 1.17 -3.85 -0.32 3.01 -1.17 -4.90 117.46 109.95 2b9m n PHE 74 Ca 0.04 -0.77 -0.23 0.00 1.01 0.00 0.00 57.45 57.50 2b9m n PHE 74 Cb 0.14 -0.31 -0.17 0.00 -0.01 0.00 0.00 39.48 39.13 2b9m n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2b9m s ALA 75 N -2.46 0.83 0.32 4.37 0.00 -0.87 -4.94 121.76 119.01 2b9m s ALA 75 Ca 0.43 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.90 2b9m s ALA 75 Cb 0.33 -0.74 -0.10 0.00 0.00 0.00 0.00 23.12 22.60 2b9m s ALA 75 CO 0.13 -0.40 1.36 -1.25 0.00 0.00 0.00 175.76 175.60 2b9m s PRO 76 N 1.80 4.31 -0.22 0.00 0.04 -1.26 -4.97 135.00 134.69 2b9m s PRO 76 Ca 0.03 2.28 -0.10 0.00 0.04 0.00 0.00 61.00 63.24 2b9m s PRO 76 Cb -0.13 -3.07 -0.10 0.00 0.04 0.00 0.00 34.50 31.25 2b9m s PRO 76 CO -0.05 -0.28 -0.28 2.41 0.04 0.00 0.00 177.00 178.84 2b9m n THR 77 N 1.12 1.20 -4.13 1.26 -1.04 -1.26 -4.79 114.28 106.64 2b9m n THR 77 Ca 0.02 -0.31 -0.22 0.00 -2.04 0.00 0.00 64.05 61.49 2b9m n THR 77 Cb 0.41 -1.77 -0.05 0.00 -1.82 0.00 0.00 70.33 67.09 2b9m n THR 77 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2b9m s ARG 78 N -2.40 2.63 -0.46 -2.82 0.52 -1.26 -4.99 118.95 110.17 2b9m s ARG 78 Ca -0.31 -1.26 0.03 0.00 -0.52 0.00 0.00 55.73 53.68 2b9m s ARG 78 Cb 0.12 -2.38 0.13 0.00 0.52 0.00 0.00 34.95 33.33 2b9m s ARG 78 CO 0.39 0.32 0.22 0.99 0.02 0.00 0.00 175.30 177.24 2b9m s THR 79 N -2.25 1.98 0.15 0.02 2.01 -1.26 -5.09 115.64 111.20 2b9m s THR 79 Ca 0.34 -2.81 -0.07 0.00 0.31 0.00 0.00 61.69 59.46 2b9m s THR 79 Cb -0.06 -2.40 -0.06 0.00 0.01 0.00 0.00 72.50 69.99 2b9m s THR 79 CO 0.23 -0.81 0.42 -0.47 -0.69 0.00 0.00 174.62 173.31 2b9m s TYR 80 N 0.20 3.49 0.00 4.92 5.04 -1.26 -5.34 117.35 124.40 2b9m s TYR 80 Ca 0.16 0.69 0.00 0.00 -2.44 0.00 0.00 57.07 55.49 2b9m s TYR 80 Cb -0.24 -2.11 0.00 0.00 0.35 0.00 0.00 41.96 39.96 2b9m s TYR 80 CO -0.02 0.42 0.00 -2.13 -1.34 0.00 0.00 175.55 172.47