#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpq h ALA 2 N 0.00 0.40 -6.11 -5.12 0.00 -2.15 -3.49 119.26 102.79 2rpq h ALA 2 Ca 0.00 -0.26 -0.44 0.00 0.00 0.00 0.00 54.91 54.21 2rpq h ALA 2 Cb 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 17.79 17.72 2rpq h ALA 2 CO 0.00 0.19 -0.75 -0.25 0.00 0.00 0.00 179.25 178.44 2rpq n ASP 3 N -4.52 -4.59 -4.73 0.00 8.00 -1.26 -4.88 116.55 104.57 2rpq n ASP 3 Ca -0.03 -0.71 -0.42 0.00 0.71 0.00 0.00 54.79 54.34 2rpq n ASP 3 Cb 0.30 -4.31 -0.03 0.00 -0.02 0.00 0.00 41.12 37.06 2rpq n ASP 3 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2rpq s GLU 4 N -6.37 4.21 0.03 -1.24 2.12 -1.26 -5.01 118.70 111.18 2rpq s GLU 4 Ca 0.51 2.38 -0.20 0.00 0.36 0.00 0.00 54.97 58.02 2rpq s GLU 4 Cb -0.25 -3.13 -0.06 0.00 0.26 0.00 0.00 34.13 30.96 2rpq s GLU 4 CO 0.79 -0.58 0.57 0.15 -0.54 0.00 0.00 175.26 175.66 2rpq s LYS 5 N 0.66 4.25 -1.02 4.30 1.02 -1.26 -4.99 119.74 122.69 2rpq s LYS 5 Ca 0.67 0.71 -0.01 0.00 0.02 0.00 0.00 55.97 57.36 2rpq s LYS 5 Cb -0.44 -3.29 0.32 0.00 -0.52 0.00 0.00 37.83 33.90 2rpq s LYS 5 CO 0.35 0.50 1.81 -0.35 -0.92 0.00 0.00 175.35 176.74 2rpq n PRO 6 N 2.27 5.40 -3.57 -1.68 -0.04 -1.26 -4.71 135.00 131.40 2rpq n PRO 6 Ca -0.09 -4.67 -0.19 0.00 -0.04 0.00 0.00 63.50 58.51 2rpq n PRO 6 Cb 0.51 -2.47 0.06 0.00 -0.04 0.00 0.00 33.50 31.56 2rpq n PRO 6 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2rpq n LYS 7 N -0.03 -5.57 -2.15 0.54 4.76 -1.26 -4.98 118.16 109.46 2rpq n LYS 7 Ca 0.46 0.72 -0.36 0.00 -2.87 0.00 0.00 58.31 56.27 2rpq n LYS 7 Cb 0.26 -5.48 0.01 0.00 -1.84 0.00 0.00 35.03 27.99 2rpq n LYS 7 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2rpq s GLU 8 N -5.68 3.27 0.00 1.97 2.02 -1.26 -4.97 118.70 114.06 2rpq s GLU 8 Ca 0.01 1.74 0.30 0.00 0.02 0.00 0.00 54.97 57.04 2rpq s GLU 8 Cb -0.00 -2.05 1.51 0.00 0.10 0.00 0.00 34.13 33.69 2rpq s GLU 8 CO 0.78 -0.94 2.04 0.41 0.02 0.00 0.00 175.26 177.56 2rpq n GLY 9 N 0.35 -1.25 3.76 -1.39 0.00 -1.26 -4.55 105.19 100.85 2rpq n GLY 9 Ca 0.12 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2rpq n GLY 9 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2rpq s VAL 10 N -2.54 2.01 -1.71 1.61 -7.23 -1.26 -3.29 120.40 107.98 2rpq s VAL 10 Ca 0.29 0.01 -0.01 0.00 -1.81 0.00 0.00 61.98 60.46 2rpq s VAL 10 Cb 0.20 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 34.14 2rpq s VAL 10 CO 0.45 0.00 0.12 0.29 -0.31 0.00 0.00 175.10 175.65 2rpq n LYS 11 N -0.38 -2.35 -3.18 4.82 5.02 -1.26 -1.71 118.16 119.11 2rpq n LYS 11 Ca 0.06 0.97 -0.20 0.00 -2.02 0.00 0.00 58.31 57.12 2rpq n LYS 11 Cb 0.42 -5.68 0.05 0.00 -0.02 0.00 0.00 35.03 29.80 2rpq n LYS 11 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2rpq n THR 12 N -4.08 -2.17 -3.47 -0.18 -1.04 -1.21 -2.80 114.28 99.32 2rpq n THR 12 Ca -0.22 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.60 2rpq n THR 12 Cb 0.67 -3.42 0.08 0.00 -1.82 0.00 0.00 70.33 65.85 2rpq n THR 12 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2rpq n GLU 13 N -4.00 -7.02 -4.24 -2.82 1.02 -0.69 -5.04 120.64 97.85 2rpq n GLU 13 Ca -0.04 0.82 -0.14 0.00 -0.02 0.00 0.00 57.16 57.77 2rpq n GLU 13 Cb 0.58 -5.77 -0.10 0.00 -0.02 0.00 0.00 31.44 26.13 2rpq n GLU 13 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2rpq s ASN 14 N -3.87 0.63 0.30 1.62 0.01 -1.12 -5.08 114.94 107.43 2rpq s ASN 14 Ca 0.25 -1.44 0.05 0.00 -0.71 0.00 0.00 52.86 51.01 2rpq s ASN 14 Cb -0.11 0.36 -0.03 0.00 0.41 0.00 0.00 41.25 41.87 2rpq s ASN 14 CO 0.71 -0.84 0.24 0.54 -1.51 0.00 0.00 177.10 176.23 2rpq s ASN 15 N -3.23 1.26 -0.11 -1.22 2.20 -1.26 -4.58 114.94 108.00 2rpq s ASN 15 Ca 0.39 -1.66 0.04 0.00 -0.94 0.00 0.00 52.86 50.68 2rpq s ASN 15 Cb 0.07 0.51 0.27 0.00 -2.00 0.00 0.00 41.25 40.09 2rpq s ASN 15 CO 0.14 -1.01 1.06 0.47 -2.94 0.00 0.00 177.10 174.83 2rpq n ASP 16 N -1.20 2.85 -4.73 3.54 8.00 -1.26 -4.89 116.55 118.86 2rpq n ASP 16 Ca 0.06 -2.40 -0.41 0.00 0.71 0.00 0.00 54.79 52.75 2rpq n ASP 16 Cb 0.63 -0.58 -0.04 0.00 -0.02 0.00 0.00 41.12 41.11 2rpq n ASP 16 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2rpq s HIS 17 N -1.46 3.60 0.08 1.24 -3.43 -1.26 -3.38 115.29 110.68 2rpq s HIS 17 Ca 0.19 1.57 -0.04 0.00 -0.80 0.00 0.00 55.06 55.98 2rpq s HIS 17 Cb 0.15 -3.25 -0.02 0.00 -1.43 0.00 0.00 32.58 28.02 2rpq s HIS 17 CO 0.05 -0.56 0.08 0.96 -2.00 0.00 0.00 174.74 173.26 2rpq s ILE 18 N 0.35 0.17 0.03 -5.38 -4.36 0.49 -4.97 121.20 107.53 2rpq s ILE 18 Ca 0.52 -1.57 0.05 0.00 -0.26 0.00 0.00 60.65 59.40 2rpq s ILE 18 Cb -0.27 -1.52 -0.03 0.00 1.25 0.00 0.00 42.46 41.88 2rpq s ILE 18 CO 0.31 -0.78 -0.13 0.20 0.24 0.00 0.00 174.94 174.78 2rpq s ASN 19 N -2.91 4.16 0.06 4.36 0.01 0.26 -0.27 114.94 120.61 2rpq s ASN 19 Ca 0.08 -0.31 0.05 0.00 -0.71 0.00 0.00 52.86 51.98 2rpq s ASN 19 Cb 0.07 -0.81 -0.03 0.00 0.41 0.00 0.00 41.25 40.89 2rpq s ASN 19 CO -0.09 0.26 -0.15 -1.48 -1.51 0.00 0.00 177.10 174.14 2rpq s LEU 20 N -1.46 2.24 0.12 0.60 2.34 -0.12 -1.75 118.68 120.66 2rpq s LEU 20 Ca 0.16 -0.57 0.08 0.00 0.06 0.00 0.00 54.13 53.87 2rpq s LEU 20 Cb -0.11 -0.58 -0.04 0.00 -0.56 0.00 0.00 46.19 44.90 2rpq s LEU 20 CO 0.07 -0.03 -0.15 -1.59 -1.06 0.00 0.00 176.35 173.59 2rpq s LYS 21 N -1.54 1.92 -0.09 1.48 -2.85 0.19 -0.30 119.74 118.55 2rpq s LYS 21 Ca -0.00 -1.15 0.04 0.00 -1.00 0.00 0.00 55.97 53.86 2rpq s LYS 21 Cb -0.09 -2.17 -0.00 0.00 -2.06 0.00 0.00 37.83 33.50 2rpq s LYS 21 CO 0.02 0.48 -0.24 0.54 0.10 0.00 0.00 175.35 176.26 2rpq s VAL 22 N -1.25 2.13 -0.08 1.79 0.11 -0.14 -0.76 120.40 122.21 2rpq s VAL 22 Ca 0.20 -1.01 0.03 0.00 -2.93 0.00 0.00 61.98 58.27 2rpq s VAL 22 Cb -0.10 -1.80 0.01 0.00 -1.53 0.00 0.00 36.38 32.95 2rpq s VAL 22 CO 0.12 0.56 -0.16 0.00 -3.33 0.00 0.00 175.10 172.29 2rpq s ALA 23 N 0.19 1.58 0.78 1.54 0.00 0.13 -2.09 121.76 123.90 2rpq s ALA 23 Ca -0.14 -0.62 -0.05 0.00 0.00 0.00 0.00 51.96 51.16 2rpq s ALA 23 Cb -0.17 -0.65 0.12 0.00 0.00 0.00 0.00 23.12 22.42 2rpq s ALA 23 CO 0.07 0.18 0.74 0.41 0.00 0.00 0.00 175.76 177.16 2rpq n GLY 24 N 3.68 -0.20 0.02 0.00 0.00 -0.07 -1.94 105.19 106.67 2rpq n GLY 24 Ca -0.21 -1.87 0.13 0.00 0.00 0.00 0.00 46.02 44.07 2rpq n GLY 24 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2rpq n GLN 25 N -2.47 0.05 -0.08 1.61 6.02 -1.26 -1.81 117.38 119.44 2rpq n GLN 25 Ca 0.11 0.03 0.12 0.00 -0.01 0.00 0.00 57.00 57.25 2rpq n GLN 25 Cb 0.38 -1.55 0.17 0.00 1.02 0.00 0.00 30.24 30.26 2rpq n GLN 25 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2rpq n ASP 26 N -1.64 3.11 0.00 1.08 8.00 -1.26 -4.97 116.55 120.88 2rpq n ASP 26 Ca 0.06 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.59 2rpq n ASP 26 Cb 0.36 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 2rpq n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rpq n GLY 27 N 1.41 0.74 3.76 0.44 0.00 -0.75 -5.05 105.19 105.74 2rpq n GLY 27 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2rpq n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rpq s SER 28 N -2.44 6.99 -0.01 1.61 0.01 -1.26 -4.74 113.70 113.86 2rpq s SER 28 Ca 0.00 2.49 0.00 0.00 1.31 0.00 0.00 55.95 59.75 2rpq s SER 28 Cb 0.00 -2.64 0.01 0.00 0.21 0.00 0.00 66.02 63.60 2rpq s SER 28 CO 0.00 -0.37 0.01 0.54 0.41 0.00 0.00 173.24 173.83 2rpq s VAL 29 N -1.03 0.00 -0.02 3.43 0.11 -1.26 -0.89 120.40 120.74 2rpq s VAL 29 Ca 0.48 0.07 0.04 0.00 -2.93 0.00 0.00 61.98 59.64 2rpq s VAL 29 Cb -0.36 -0.06 -0.01 0.00 -1.53 0.00 0.00 36.38 34.42 2rpq s VAL 29 CO 0.47 0.04 -0.14 0.54 -3.33 0.00 0.00 175.10 172.68 2rpq s VAL 30 N 0.40 1.10 0.05 2.04 0.11 -0.89 -4.99 120.40 118.23 2rpq s VAL 30 Ca -0.03 -0.58 0.06 0.00 -2.93 0.00 0.00 61.98 58.50 2rpq s VAL 30 Cb -0.05 -0.93 -0.04 0.00 -1.53 0.00 0.00 36.38 33.83 2rpq s VAL 30 CO -0.01 0.32 -0.12 0.00 -3.33 0.00 0.00 175.10 171.95 2rpq s GLN 31 N -0.20 2.22 -0.00 1.54 1.03 -1.26 -0.96 119.66 122.02 2rpq s GLN 31 Ca 0.03 -0.92 0.03 0.00 0.04 0.00 0.00 55.36 54.54 2rpq s GLN 31 Cb -0.07 -2.31 -0.01 0.00 0.03 0.00 0.00 33.01 30.65 2rpq s GLN 31 CO -0.00 0.55 -0.11 -0.06 -2.54 0.00 0.00 175.29 173.13 2rpq s PHE 32 N -1.04 0.99 -0.32 9.60 0.40 0.58 -4.97 117.98 123.23 2rpq s PHE 32 Ca 0.17 -0.20 -0.12 0.00 -0.60 0.00 0.00 56.93 56.18 2rpq s PHE 32 Cb -0.11 -0.63 -0.02 0.00 0.51 0.00 0.00 43.02 42.76 2rpq s PHE 32 CO 0.08 -0.01 0.22 0.21 0.70 0.00 0.00 175.22 176.42 2rpq s LYS 33 N -0.35 3.60 0.04 0.44 2.20 -1.26 -0.95 119.74 123.46 2rpq s LYS 33 Ca 0.04 -0.57 -0.03 0.00 -0.36 0.00 0.00 55.97 55.05 2rpq s LYS 33 Cb -0.05 -3.75 -0.02 0.00 -1.51 0.00 0.00 37.83 32.50 2rpq s LYS 33 CO -0.00 -0.38 0.03 -1.50 -0.36 0.00 0.00 175.35 173.14 2rpq s ILE 34 N 1.72 0.15 0.33 5.43 2.07 0.63 -4.96 121.20 126.58 2rpq s ILE 34 Ca 0.06 -1.23 0.09 0.00 -1.41 0.00 0.00 60.65 58.16 2rpq s ILE 34 Cb -0.17 -0.88 -0.05 0.00 0.13 0.00 0.00 42.46 41.49 2rpq s ILE 34 CO 0.10 -0.68 0.01 -0.54 -1.91 0.00 0.00 174.94 171.93 2rpq s LYS 35 N -2.63 2.11 0.21 3.50 3.01 -1.26 -0.37 119.74 124.30 2rpq s LYS 35 Ca -0.05 -1.70 -0.05 0.00 -1.01 0.00 0.00 55.97 53.15 2rpq s LYS 35 Cb -0.01 -1.96 0.17 0.00 -1.01 0.00 0.00 37.83 35.01 2rpq s LYS 35 CO -0.05 0.16 1.64 0.00 0.51 0.00 0.00 175.35 177.61 2rpq h ARG 36 N 1.81 0.84 -1.01 1.68 3.08 -1.95 -2.40 114.38 116.44 2rpq h ARG 36 Ca -0.43 -0.32 -0.49 0.00 0.07 0.00 0.00 59.98 58.82 2rpq h ARG 36 Cb 1.25 -0.05 -0.28 0.00 0.08 0.00 0.00 29.97 30.97 2rpq h ARG 36 CO 0.66 0.95 0.62 0.72 -1.07 0.00 0.00 179.97 181.84 2rpq n HIS 37 N -4.13 2.80 -3.92 3.04 8.25 -1.26 -2.47 115.22 117.53 2rpq n HIS 37 Ca 0.01 -1.84 -0.35 0.00 -0.26 0.00 0.00 57.72 55.27 2rpq n HIS 37 Cb 0.41 -0.94 -0.14 0.00 1.12 0.00 0.00 29.99 30.44 2rpq n HIS 37 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2rpq s THR 38 N -3.14 2.99 0.89 1.59 2.01 -0.90 -5.09 115.64 113.99 2rpq s THR 38 Ca 0.52 -1.25 -0.10 0.00 0.31 0.00 0.00 61.69 61.17 2rpq s THR 38 Cb 0.44 -2.65 0.13 0.00 0.01 0.00 0.00 72.50 70.43 2rpq s THR 38 CO 0.09 -0.01 1.14 -2.16 -0.69 0.00 0.00 174.62 172.98 2rpq s PRO 39 N 1.28 1.19 0.52 4.92 0.04 -1.26 -4.28 135.00 137.41 2rpq s PRO 39 Ca -0.03 1.47 0.26 0.00 0.04 0.00 0.00 61.00 62.74 2rpq s PRO 39 Cb -0.19 -1.75 1.44 0.00 0.04 0.00 0.00 34.50 34.04 2rpq s PRO 39 CO -0.02 -2.49 2.09 1.37 0.04 0.00 0.00 177.00 177.99 2rpq h LEU 40 N -1.76 0.00 -1.99 -3.56 8.10 -1.67 -1.31 115.31 113.12 2rpq h LEU 40 Ca -0.43 0.00 0.20 0.00 0.11 0.00 0.00 57.88 57.76 2rpq h LEU 40 Cb 1.26 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.46 2rpq h LEU 40 CO 0.43 0.11 0.53 -1.28 -4.11 0.00 0.00 178.44 174.12 2rpq h SER 41 N 0.00 0.00 -0.35 0.17 0.87 -1.80 -2.36 113.55 110.08 2rpq h SER 41 Ca -0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.49 2rpq h SER 41 Cb 0.28 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2rpq h SER 41 CO 0.01 0.00 -0.04 0.50 -0.53 0.00 0.00 176.83 176.78 2rpq h LYS 42 N 0.00 0.64 -0.08 2.24 1.63 -1.57 -1.93 116.57 117.49 2rpq h LYS 42 Ca 0.33 -0.22 -0.12 0.00 -0.85 0.00 0.00 60.65 59.79 2rpq h LYS 42 Cb 1.38 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.94 2rpq h LYS 42 CO -0.00 0.78 -0.49 1.37 -3.45 0.00 0.00 179.45 177.66 2rpq h LEU 43 N 0.43 0.22 -0.54 5.20 -0.00 -1.61 -1.97 115.31 117.05 2rpq h LEU 43 Ca 0.09 -0.11 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2rpq h LEU 43 Cb 0.51 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.08 2rpq h LEU 43 CO 0.02 0.68 0.34 -0.03 -0.00 0.00 0.00 178.44 179.45 2rpq h MET 44 N 0.17 0.73 -0.51 0.17 4.05 -1.27 0.15 114.93 118.42 2rpq h MET 44 Ca 0.01 -0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.28 2rpq h MET 44 Cb 0.92 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.54 2rpq h MET 44 CO 0.07 0.51 -0.05 -0.22 0.23 0.00 0.00 176.91 177.46 2rpq h LYS 45 N 0.73 0.90 -0.56 0.39 3.64 -1.31 -2.53 116.57 117.84 2rpq h LYS 45 Ca 0.20 -0.28 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 2rpq h LYS 45 Cb -0.04 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 2rpq h LYS 45 CO -0.04 0.92 0.17 0.00 -2.27 0.00 0.00 179.45 178.23 2rpq h ALA 46 N 1.12 1.25 -0.71 5.00 0.00 -0.99 -0.48 119.26 124.44 2rpq h ALA 46 Ca 0.15 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2rpq h ALA 46 Cb 0.56 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2rpq h ALA 46 CO 0.03 0.53 0.33 -0.92 0.00 0.00 0.00 179.25 179.22 2rpq h TYR 47 N 0.81 1.04 -0.51 0.00 3.20 -0.57 0.22 116.97 121.16 2rpq h TYR 47 Ca 0.18 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 2rpq h TYR 47 Cb 0.25 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 2rpq h TYR 47 CO 0.01 0.77 0.24 0.00 -1.64 0.00 0.00 178.16 177.55 2rpq h GLU 49 N 0.68 -0.00 0.05 0.00 5.08 -0.79 -1.99 114.58 117.60 2rpq h GLU 49 Ca 0.17 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.34 2rpq h GLU 49 Cb 0.13 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.40 2rpq h GLU 49 CO -0.02 0.24 -0.78 0.00 -1.00 0.00 0.00 179.01 177.45 2rpq h ARG 50 N -0.25 0.44 -0.01 2.33 3.08 -0.98 -3.38 114.38 115.61 2rpq h ARG 50 Ca -0.00 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 59.51 2rpq h ARG 50 Cb 0.25 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2rpq h ARG 50 CO 0.00 1.19 -0.01 1.04 -1.07 0.00 0.00 179.97 181.12 2rpq n GLN 51 N -4.11 0.30 -0.79 0.04 1.13 0.46 -5.01 117.38 109.42 2rpq n GLN 51 Ca -0.12 -0.93 0.00 0.00 -1.94 0.00 0.00 57.00 54.02 2rpq n GLN 51 Cb 0.77 -1.14 0.00 0.00 0.11 0.00 0.00 30.24 29.98 2rpq n GLN 51 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2rpq n GLY 52 N 0.48 0.82 3.81 1.08 0.00 -0.75 -4.96 105.19 105.66 2rpq n GLY 52 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2rpq n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rpq s LEU 53 N 0.00 3.63 -0.21 0.99 1.43 -1.25 -4.94 118.68 118.32 2rpq s LEU 53 Ca 0.00 1.81 -0.11 0.00 -1.03 0.00 0.00 54.13 54.80 2rpq s LEU 53 Cb 0.00 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.63 2rpq s LEU 53 CO 0.00 -0.95 0.17 -0.44 0.23 0.00 0.00 176.35 175.36 2rpq s SER 54 N -2.59 6.21 0.58 2.29 0.01 -1.26 -4.32 113.70 114.62 2rpq s SER 54 Ca 0.64 0.22 0.36 0.00 1.31 0.00 0.00 55.95 58.48 2rpq s SER 54 Cb -0.15 -2.11 1.68 0.00 0.21 0.00 0.00 66.02 65.65 2rpq s SER 54 CO 0.31 0.11 2.11 0.00 0.41 0.00 0.00 173.24 176.18 2rpq h MET 55 N 7.05 0.00 0.00 12.44 -0.00 -1.93 0.50 114.93 133.00 2rpq h MET 55 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.30 2rpq h MET 55 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.76 2rpq h MET 55 CO 0.72 0.03 0.00 2.89 -0.00 0.00 0.00 176.91 180.54 2rpq n ARG 56 N -3.17 0.05 0.00 -0.10 1.85 -1.26 -3.64 116.66 110.40 2rpq n ARG 56 Ca -0.01 0.15 0.05 0.00 -1.00 0.00 0.00 57.85 57.05 2rpq n ARG 56 Cb 0.23 -1.58 -0.04 0.00 -1.05 0.00 0.00 32.46 30.02 2rpq n ARG 56 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2rpq n GLN 57 N -1.67 2.87 -4.22 2.89 1.13 0.15 -4.06 117.38 114.48 2rpq n GLN 57 Ca 0.05 -0.21 -0.20 0.00 -1.94 0.00 0.00 57.00 54.70 2rpq n GLN 57 Cb 0.29 -1.07 -0.12 0.00 0.11 0.00 0.00 30.24 29.45 2rpq n GLN 57 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 2rpq s ILE 58 N -1.90 1.35 0.03 5.09 -4.36 -1.10 -0.75 121.20 119.56 2rpq s ILE 58 Ca 0.06 -1.41 0.01 0.00 -0.26 0.00 0.00 60.65 59.05 2rpq s ILE 58 Cb 0.09 -1.27 -0.02 0.00 1.25 0.00 0.00 42.46 42.50 2rpq s ILE 58 CO 0.41 -0.17 -0.05 -0.13 0.24 0.00 0.00 174.94 175.24 2rpq s ARG 59 N -1.84 0.41 -0.00 0.37 1.81 -0.69 -4.85 118.95 114.16 2rpq s ARG 59 Ca 0.02 -0.68 0.02 0.00 -1.72 0.00 0.00 55.73 53.37 2rpq s ARG 59 Cb -0.10 -0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.30 2rpq s ARG 59 CO 0.03 -0.01 -0.01 -0.06 -0.68 0.00 0.00 175.30 174.57 2rpq s PHE 60 N -1.42 3.04 0.11 -0.53 0.08 -1.26 -1.07 117.98 116.93 2rpq s PHE 60 Ca -0.13 0.06 0.03 0.00 0.12 0.00 0.00 56.93 57.01 2rpq s PHE 60 Cb -0.10 -1.66 -0.04 0.00 -0.57 0.00 0.00 43.02 40.65 2rpq s PHE 60 CO -0.00 0.45 -0.08 1.03 -0.10 0.00 0.00 175.22 176.51 2rpq s ARG 61 N -1.53 0.90 -0.04 0.44 0.52 0.65 -2.62 118.95 117.27 2rpq s ARG 61 Ca 0.19 -1.33 -0.01 0.00 -0.52 0.00 0.00 55.73 54.06 2rpq s ARG 61 Cb -0.11 -0.38 0.03 0.00 0.52 0.00 0.00 34.95 35.00 2rpq s ARG 61 CO 0.10 0.03 0.04 0.12 0.02 0.00 0.00 175.30 175.60 2rpq s PHE 62 N -3.31 0.17 -1.46 -0.53 5.36 -0.27 -2.22 117.98 115.71 2rpq s PHE 62 Ca 0.12 0.14 -0.10 0.00 -0.96 0.00 0.00 56.93 56.13 2rpq s PHE 62 Cb 0.03 -0.46 0.04 0.00 -0.34 0.00 0.00 43.02 42.29 2rpq s PHE 62 CO -0.02 -0.18 0.91 -3.47 -1.46 0.00 0.00 175.22 170.99 2rpq n ASP 63 N 4.88 -5.47 0.00 6.13 2.03 -1.26 -1.42 116.55 121.44 2rpq n ASP 63 Ca -0.12 -0.55 0.00 0.00 0.52 0.00 0.00 54.79 54.64 2rpq n ASP 63 Cb 0.50 -4.37 0.00 0.00 -0.72 0.00 0.00 41.12 36.53 2rpq n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rpq n GLY 64 N -1.69 0.79 3.42 0.27 0.00 -1.26 -5.03 105.19 101.69 2rpq n GLY 64 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2rpq n GLY 64 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rpq s GLN 65 N -0.11 2.33 0.19 1.61 -1.52 -0.51 -5.07 119.66 116.58 2rpq s GLN 65 Ca 0.00 -0.80 -0.32 0.00 -1.95 0.00 0.00 55.36 52.29 2rpq s GLN 65 Cb 0.00 -2.25 -0.15 0.00 -0.22 0.00 0.00 33.01 30.38 2rpq s GLN 65 CO 0.00 0.60 1.14 -2.30 -0.25 0.00 0.00 175.29 174.48 2rpq n PRO 66 N 2.25 1.21 -5.14 2.91 -0.02 -1.26 -1.12 135.00 133.83 2rpq n PRO 66 Ca -0.17 0.43 -0.32 0.00 -2.02 0.00 0.00 63.50 61.43 2rpq n PRO 66 Cb 0.52 -1.91 -0.15 0.00 -0.02 0.00 0.00 33.50 31.93 2rpq n PRO 66 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2rpq s ILE 67 N -0.31 2.41 0.37 4.25 -4.36 -1.08 -4.81 121.20 117.66 2rpq s ILE 67 Ca 0.71 -0.96 0.07 0.00 -0.26 0.00 0.00 60.65 60.21 2rpq s ILE 67 Cb -0.82 -1.89 -0.02 0.00 1.25 0.00 0.00 42.46 40.98 2rpq s ILE 67 CO 0.53 0.58 0.39 0.20 0.24 0.00 0.00 174.94 176.88 2rpq s ASN 68 N -0.47 5.43 0.30 4.36 0.01 -1.26 -4.63 114.94 118.67 2rpq s ASN 68 Ca 0.06 -0.48 0.25 0.00 -0.71 0.00 0.00 52.86 51.98 2rpq s ASN 68 Cb -0.11 -0.87 0.74 0.00 0.41 0.00 0.00 41.25 41.41 2rpq s ASN 68 CO 0.01 -0.51 1.74 -0.33 -1.51 0.00 0.00 177.10 176.50 2rpq h GLU 69 N 1.02 0.00 0.00 -0.60 5.08 -2.00 -0.83 114.58 117.26 2rpq h GLU 69 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2rpq h GLU 69 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2rpq h GLU 69 CO 0.55 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.81 2rpq n THR 70 N -2.55 0.51 -2.25 1.13 -2.24 -1.26 -3.96 114.28 103.66 2rpq n THR 70 Ca 0.04 -0.19 -0.25 0.00 -2.27 0.00 0.00 64.05 61.38 2rpq n THR 70 Cb 0.43 -0.61 0.06 0.00 -2.10 0.00 0.00 70.33 68.11 2rpq n THR 70 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2rpq s ASP 71 N -4.21 4.91 0.13 3.42 1.01 -0.32 -5.00 116.67 116.61 2rpq s ASP 71 Ca 0.11 0.44 -0.14 0.00 0.71 0.00 0.00 52.55 53.67 2rpq s ASP 71 Cb 0.13 -1.13 0.02 0.00 1.01 0.00 0.00 42.92 42.95 2rpq s ASP 71 CO 0.57 -1.52 0.35 0.42 0.21 0.00 0.00 175.17 175.19 2rpq s THR 72 N -3.19 0.08 0.48 -1.27 -4.23 -1.26 -2.28 115.64 103.97 2rpq s THR 72 Ca 0.59 -0.84 0.15 0.00 -1.18 0.00 0.00 61.69 60.41 2rpq s THR 72 Cb -0.11 -1.33 0.30 0.00 1.34 0.00 0.00 72.50 72.70 2rpq s THR 72 CO 0.44 -0.38 2.07 -0.65 -0.54 0.00 0.00 174.62 175.57 2rpq h PRO 73 N 2.46 0.19 -0.21 3.99 0.11 -1.75 -1.36 132.00 135.44 2rpq h PRO 73 Ca -0.33 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 2rpq h PRO 73 Cb 1.24 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2rpq h PRO 73 CO 0.48 0.13 -0.05 0.00 -0.21 0.00 0.00 178.00 178.35 2rpq h ALA 74 N 1.84 0.29 -0.32 -0.75 0.00 -1.82 -0.82 119.26 117.68 2rpq h ALA 74 Ca 0.13 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 2rpq h ALA 74 Cb 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2rpq h ALA 74 CO -0.02 0.08 -0.37 1.96 0.00 0.00 0.00 179.25 180.90 2rpq h GLN 75 N 0.13 0.75 -0.02 0.00 1.08 -1.81 -2.89 115.11 112.35 2rpq h GLN 75 Ca 0.05 -0.37 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 2rpq h GLN 75 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 2rpq h GLN 75 CO 0.02 0.99 -0.05 -0.11 -0.95 0.00 0.00 178.83 178.73 2rpq n LEU 76 N -4.05 2.18 -3.74 1.46 7.94 -0.54 -4.96 117.00 115.30 2rpq n LEU 76 Ca -0.02 -0.73 -0.26 0.00 -1.11 0.00 0.00 56.01 53.90 2rpq n LEU 76 Cb 0.51 -0.01 0.05 0.00 0.53 0.00 0.00 43.42 44.51 2rpq n LEU 76 CO 0.46 0.37 0.13 -0.62 -1.11 0.00 0.00 177.39 176.62 2rpq n GLU 77 N 0.64 -6.32 -1.73 1.96 1.02 -0.64 -4.98 120.64 110.59 2rpq n GLU 77 Ca 0.16 0.70 -0.37 0.00 -0.02 0.00 0.00 57.16 57.62 2rpq n GLU 77 Cb 0.47 -5.60 0.07 0.00 -0.02 0.00 0.00 31.44 26.36 2rpq n GLU 77 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2rpq n MET 78 N -4.67 1.20 -2.06 3.49 2.81 -0.41 -5.02 117.12 112.47 2rpq n MET 78 Ca -0.05 0.47 -0.06 0.00 -1.81 0.00 0.00 57.70 56.24 2rpq n MET 78 Cb 0.57 -2.54 0.00 0.00 -0.71 0.00 0.00 33.22 30.55 2rpq n MET 78 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2rpq n GLU 79 N -1.76 1.29 0.29 0.03 1.02 -1.26 -4.92 120.64 115.32 2rpq n GLU 79 Ca 0.15 -0.84 0.13 0.00 -0.02 0.00 0.00 57.16 56.58 2rpq n GLU 79 Cb 0.47 0.09 0.84 0.00 -0.02 0.00 0.00 31.44 32.82 2rpq n GLU 79 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2rpq h ASP 80 N 0.16 0.00 -2.25 1.62 2.03 -1.95 -3.32 116.42 112.71 2rpq h ASP 80 Ca -0.09 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 55.72 2rpq h ASP 80 Cb 0.31 0.00 -0.35 0.00 -0.83 0.00 0.00 39.33 38.46 2rpq h ASP 80 CO 0.13 0.01 -0.81 -1.83 -1.03 0.00 0.00 179.24 175.71 2rpq s GLU 81 N -4.73 0.68 0.59 4.15 -1.05 -1.15 -0.57 118.70 116.62 2rpq s GLU 81 Ca -0.05 -1.33 -0.02 0.00 -0.15 0.00 0.00 54.97 53.43 2rpq s GLU 81 Cb 0.16 -1.07 0.04 0.00 -0.44 0.00 0.00 34.13 32.81 2rpq s GLU 81 CO 0.58 -1.25 0.85 0.34 0.95 0.00 0.00 175.26 176.73 2rpq s ASP 82 N 0.97 5.19 -0.06 0.83 -1.08 -0.72 -4.93 116.67 116.87 2rpq s ASP 82 Ca 0.21 0.19 -0.01 0.00 -0.52 0.00 0.00 52.55 52.43 2rpq s ASP 82 Cb -0.14 -1.04 0.03 0.00 -1.46 0.00 0.00 42.92 40.31 2rpq s ASP 82 CO -0.05 -1.25 0.00 -0.89 0.52 0.00 0.00 175.17 173.51 2rpq s THR 83 N -2.91 0.29 -0.01 1.71 2.01 -1.26 -0.63 115.64 114.84 2rpq s THR 83 Ca 0.57 0.13 0.08 0.00 0.31 0.00 0.00 61.69 62.78 2rpq s THR 83 Cb -0.10 -0.43 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 2rpq s THR 83 CO 0.41 0.22 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.69 2rpq s ILE 84 N 1.68 1.91 -0.04 1.82 -1.09 0.06 -4.98 121.20 120.57 2rpq s ILE 84 Ca 0.00 -1.07 0.02 0.00 -2.23 0.00 0.00 60.65 57.37 2rpq s ILE 84 Cb -0.13 -1.60 -0.03 0.00 -1.58 0.00 0.00 42.46 39.13 2rpq s ILE 84 CO -0.04 0.50 -0.07 -1.81 -1.23 0.00 0.00 174.94 172.29 2rpq s ASP 85 N -0.66 4.59 -0.08 3.58 1.01 -0.94 -0.69 116.67 123.47 2rpq s ASP 85 Ca 0.09 -0.09 -0.01 0.00 0.71 0.00 0.00 52.55 53.26 2rpq s ASP 85 Cb -0.09 -1.11 -0.03 0.00 1.01 0.00 0.00 42.92 42.70 2rpq s ASP 85 CO -0.00 0.33 -0.03 -0.69 0.21 0.00 0.00 175.17 174.98 2rpq s VAL 86 N -0.88 4.02 -0.03 -1.27 1.01 -0.82 -0.25 120.40 122.18 2rpq s VAL 86 Ca 0.14 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.82 2rpq s VAL 86 Cb -0.11 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 2rpq s VAL 86 CO 0.04 0.60 -0.20 0.12 0.00 0.00 0.00 175.10 175.66 2rpq s PHE 87 N -0.81 1.86 0.06 5.22 2.19 -0.23 -4.32 117.98 121.95 2rpq s PHE 87 Ca 0.12 -0.46 -0.28 0.00 0.33 0.00 0.00 56.93 56.65 2rpq s PHE 87 Cb -0.11 -1.22 -0.05 0.00 -1.31 0.00 0.00 43.02 40.33 2rpq s PHE 87 CO 0.02 -0.11 0.89 -0.65 1.83 0.00 0.00 175.22 177.20 2rpq s GLN 88 N -0.23 4.59 0.34 10.12 -1.52 -1.26 -1.70 119.66 130.00 2rpq s GLN 88 Ca 0.02 1.29 0.03 0.00 -1.95 0.00 0.00 55.36 54.75 2rpq s GLN 88 Cb -0.10 -3.40 -0.04 0.00 -0.22 0.00 0.00 33.01 29.25 2rpq s GLN 88 CO 0.01 0.17 0.11 -0.65 -0.25 0.00 0.00 175.29 174.68 2rpq s GLN 89 N 0.25 1.69 0.00 2.91 -1.52 0.07 -4.96 119.66 118.10 2rpq s GLN 89 Ca 0.45 -1.97 0.00 0.00 -1.95 0.00 0.00 55.36 51.88 2rpq s GLN 89 Cb -0.22 -0.52 0.00 0.00 -0.22 0.00 0.00 33.01 32.05 2rpq s GLN 89 CO 0.27 -0.35 0.00 0.00 -0.25 0.00 0.00 175.29 174.95 2rpq n GLN 90 N -0.70 1.38 -0.27 2.91 10.64 -1.26 -4.47 117.38 125.61 2rpq n GLN 90 Ca -0.02 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.26 2rpq n GLN 90 Cb 0.66 -0.11 0.26 0.00 -0.86 0.00 0.00 30.24 30.18 2rpq n GLN 90 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 2rpq n THR 91 N 0.00 0.71 1.50 -0.39 -2.24 -1.26 -4.34 114.28 108.26 2rpq n THR 91 Ca 0.00 -0.86 0.15 0.00 -2.27 0.00 0.00 64.05 61.07 2rpq n THR 91 Cb 0.00 0.78 0.74 0.00 -2.10 0.00 0.00 70.33 69.76 2rpq n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rpq n GLY 92 N 1.57 -1.15 0.00 3.38 0.00 -1.26 -5.18 105.19 102.56 2rpq n GLY 92 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2rpq n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93