#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpq n ALA 2 N 0.00 2.47 -0.19 -5.12 0.00 -1.26 -4.26 120.51 112.15 2rpq n ALA 2 Ca 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 53.44 52.77 2rpq n ALA 2 Cb 0.00 -1.01 0.15 0.00 0.00 0.00 0.00 19.45 18.59 2rpq n ALA 2 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2rpq h ASP 3 N 2.32 0.89 -3.74 0.00 2.03 -2.13 -3.43 116.42 112.37 2rpq h ASP 3 Ca 0.00 -0.15 -0.60 0.00 -0.73 0.00 0.00 57.03 55.55 2rpq h ASP 3 Cb 0.52 -0.23 -0.20 0.00 -0.83 0.00 0.00 39.33 38.59 2rpq h ASP 3 CO 0.00 0.83 -0.82 -0.70 -1.03 0.00 0.00 179.24 177.51 2rpq s GLU 4 N -5.35 1.31 0.65 4.15 2.56 -1.26 -5.14 118.70 115.63 2rpq s GLU 4 Ca -0.11 -1.35 -0.17 0.00 0.00 0.00 0.00 54.97 53.35 2rpq s GLU 4 Cb 0.16 -1.59 -0.00 0.00 2.00 0.00 0.00 34.13 34.69 2rpq s GLU 4 CO 0.81 0.36 1.20 0.15 -0.56 0.00 0.00 175.26 177.22 2rpq s LYS 5 N -2.33 2.64 0.29 4.30 1.02 -1.26 -4.92 119.74 119.48 2rpq s LYS 5 Ca 0.14 1.75 -0.26 0.00 0.02 0.00 0.00 55.97 57.61 2rpq s LYS 5 Cb -0.08 -1.90 -0.15 0.00 -0.52 0.00 0.00 37.83 35.18 2rpq s LYS 5 CO 0.06 -1.45 0.62 -2.30 -0.92 0.00 0.00 175.35 171.37 2rpq n PRO 6 N -2.12 0.50 -1.97 -1.68 -0.02 -1.26 -4.92 135.00 123.54 2rpq n PRO 6 Ca 0.13 0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 2rpq n PRO 6 Cb 0.50 -1.35 -0.03 0.00 -0.02 0.00 0.00 33.50 32.61 2rpq n PRO 6 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2rpq s LYS 7 N -1.28 4.22 -1.48 -0.52 1.02 -1.26 -3.15 119.74 117.29 2rpq s LYS 7 Ca 0.62 2.31 -0.07 0.00 0.02 0.00 0.00 55.97 58.85 2rpq s LYS 7 Cb -0.77 -3.33 0.01 0.00 -0.52 0.00 0.00 37.83 33.22 2rpq s LYS 7 CO 0.58 -0.63 0.84 0.39 -0.92 0.00 0.00 175.35 175.61 2rpq n GLU 8 N 4.58 -6.09 -0.70 1.68 1.02 -1.26 -5.00 120.64 114.87 2rpq n GLU 8 Ca 0.14 0.86 -0.31 0.00 -0.02 0.00 0.00 57.16 57.83 2rpq n GLU 8 Cb 0.40 -5.80 0.16 0.00 -0.02 0.00 0.00 31.44 26.18 2rpq n GLU 8 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rpq n GLY 9 N -1.72 -0.77 3.23 0.62 0.00 -1.19 -5.06 105.19 100.31 2rpq n GLY 9 Ca -0.06 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 2rpq n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rpq s VAL 10 N -2.58 1.80 0.28 1.61 1.01 -1.26 -5.14 120.40 116.13 2rpq s VAL 10 Ca 0.65 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.70 2rpq s VAL 10 Cb -0.23 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 2rpq s VAL 10 CO 0.60 0.51 0.11 -0.54 0.00 0.00 0.00 175.10 175.78 2rpq s LYS 11 N -0.27 1.50 0.09 2.72 -0.14 -1.26 -5.12 119.74 117.27 2rpq s LYS 11 Ca 0.01 -1.83 -0.31 0.00 -1.36 0.00 0.00 55.97 52.48 2rpq s LYS 11 Cb -0.11 -0.29 -0.08 0.00 -1.68 0.00 0.00 37.83 35.67 2rpq s LYS 11 CO 0.01 -0.33 1.49 0.99 -0.76 0.00 0.00 175.35 176.75 2rpq s THR 12 N -3.65 3.17 -0.28 2.17 2.01 -1.26 -4.93 115.64 112.86 2rpq s THR 12 Ca 0.36 0.76 0.11 0.00 0.31 0.00 0.00 61.69 63.23 2rpq s THR 12 Cb 0.07 -3.48 0.60 0.00 0.01 0.00 0.00 72.50 69.70 2rpq s THR 12 CO 0.15 0.03 1.60 -0.62 -0.69 0.00 0.00 174.62 175.10 2rpq n GLU 13 N 4.58 2.78 0.19 4.92 1.02 -1.26 -4.67 120.64 128.20 2rpq n GLU 13 Ca 0.13 -3.04 0.05 0.00 -0.02 0.00 0.00 57.16 54.28 2rpq n GLU 13 Cb 0.41 -1.99 0.50 0.00 -0.02 0.00 0.00 31.44 30.35 2rpq n GLU 13 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 2rpq h ASN 14 N 1.75 0.10 -0.07 1.62 -1.07 -2.05 -2.43 115.58 113.42 2rpq h ASN 14 Ca 0.21 -0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.57 2rpq h ASN 14 Cb 1.93 -0.02 0.00 0.00 -2.07 0.00 0.00 38.32 38.15 2rpq h ASN 14 CO 0.52 0.20 0.00 0.59 0.07 0.00 0.00 177.43 178.81 2rpq n ASN 15 N -4.37 3.02 -1.33 6.14 3.02 -1.26 -4.71 115.26 115.77 2rpq n ASN 15 Ca -0.02 -1.99 0.03 0.00 -0.03 0.00 0.00 54.58 52.58 2rpq n ASN 15 Cb 0.20 -0.03 0.23 0.00 -0.61 0.00 0.00 39.78 39.57 2rpq n ASN 15 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2rpq n ASP 16 N 1.34 3.74 -4.67 6.41 9.92 -0.92 -4.94 116.55 127.43 2rpq n ASP 16 Ca 0.15 -2.55 -0.40 0.00 -0.53 0.00 0.00 54.79 51.46 2rpq n ASP 16 Cb 0.60 -0.61 0.03 0.00 -0.64 0.00 0.00 41.12 40.49 2rpq n ASP 16 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2rpq n HIS 17 N 0.33 1.68 -4.30 1.24 1.44 -1.26 -4.70 115.22 109.66 2rpq n HIS 17 Ca 0.17 0.48 -0.16 0.00 -2.01 0.00 0.00 57.72 56.20 2rpq n HIS 17 Cb 0.82 -2.29 -0.10 0.00 0.12 0.00 0.00 29.99 28.54 2rpq n HIS 17 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 2rpq s ILE 18 N -1.30 1.38 0.04 0.61 -4.36 0.38 -4.93 121.20 113.01 2rpq s ILE 18 Ca 0.67 -2.11 0.08 0.00 -0.26 0.00 0.00 60.65 59.02 2rpq s ILE 18 Cb -0.48 -1.98 -0.03 0.00 1.25 0.00 0.00 42.46 41.22 2rpq s ILE 18 CO 0.53 -0.64 -0.22 0.20 0.24 0.00 0.00 174.94 175.06 2rpq s ASN 19 N -3.24 3.54 0.08 4.36 0.01 -0.36 -0.26 114.94 119.06 2rpq s ASN 19 Ca 0.20 -0.49 0.05 0.00 -0.71 0.00 0.00 52.86 51.90 2rpq s ASN 19 Cb 0.02 -0.48 -0.03 0.00 0.41 0.00 0.00 41.25 41.17 2rpq s ASN 19 CO 0.04 0.26 -0.13 -1.48 -1.51 0.00 0.00 177.10 174.28 2rpq s LEU 20 N -1.35 2.31 0.13 0.60 2.34 -0.13 -1.88 118.68 120.69 2rpq s LEU 20 Ca 0.13 -0.66 0.10 0.00 0.06 0.00 0.00 54.13 53.76 2rpq s LEU 20 Cb -0.10 -0.44 -0.04 0.00 -0.56 0.00 0.00 46.19 45.04 2rpq s LEU 20 CO 0.04 -0.13 -0.25 -1.59 -1.06 0.00 0.00 176.35 173.36 2rpq s LYS 21 N -1.99 1.34 -0.10 1.48 -2.85 -0.43 -0.28 119.74 116.91 2rpq s LYS 21 Ca -0.01 -1.33 0.02 0.00 -1.00 0.00 0.00 55.97 53.66 2rpq s LYS 21 Cb -0.08 -1.75 -0.01 0.00 -2.06 0.00 0.00 37.83 33.92 2rpq s LYS 21 CO 0.02 0.41 -0.18 0.54 0.10 0.00 0.00 175.35 176.24 2rpq s VAL 22 N -1.18 2.64 -0.07 1.79 0.11 0.07 -1.12 120.40 122.64 2rpq s VAL 22 Ca 0.13 -0.82 0.05 0.00 -2.93 0.00 0.00 61.98 58.40 2rpq s VAL 22 Cb -0.10 -2.06 -0.00 0.00 -1.53 0.00 0.00 36.38 32.69 2rpq s VAL 22 CO 0.06 0.55 -0.22 0.00 -3.33 0.00 0.00 175.10 172.16 2rpq s ALA 23 N 0.15 1.98 0.00 1.54 0.00 0.55 -1.80 121.76 124.18 2rpq s ALA 23 Ca -0.10 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 50.97 2rpq s ALA 23 Cb -0.16 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.27 2rpq s ALA 23 CO 0.06 0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.54 2rpq n GLY 24 N 3.32 -0.51 4.20 0.00 0.00 -0.34 -1.85 105.19 110.00 2rpq n GLY 24 Ca -0.19 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 -0.94 -2.99 1.61 1.13 -1.26 0.02 117.38 114.95 2rpq n GLN 25 Ca 0.00 0.08 -0.11 0.00 -1.94 0.00 0.00 57.00 55.03 2rpq n GLN 25 Cb 0.00 -3.35 0.04 0.00 0.11 0.00 0.00 30.24 27.03 2rpq n GLN 25 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2rpq n ASP 26 N -2.67 -4.02 0.00 1.08 8.00 -1.26 -4.08 116.55 113.61 2rpq n ASP 26 Ca -0.30 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 54.96 2rpq n ASP 26 Cb 0.65 -2.60 0.00 0.00 -0.02 0.00 0.00 41.12 39.15 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 -1.20 1.12 3.76 0.44 0.00 -0.31 -5.09 105.19 103.91 2rpq n GLY 27 Ca 0.00 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.26 5.23 -0.01 1.61 0.01 0.10 -4.93 113.70 113.46 2rpq s SER 28 Ca 0.00 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.95 2rpq s SER 28 Cb 0.00 -1.25 0.01 0.00 0.21 0.00 0.00 66.02 64.98 2rpq s SER 28 CO 0.00 0.02 0.01 0.54 0.41 0.00 0.00 173.24 174.21 2rpq s VAL 29 N -2.00 -0.00 -0.02 3.43 0.11 -1.26 -1.19 120.40 119.47 2rpq s VAL 29 Ca 0.31 0.05 0.04 0.00 -2.93 0.00 0.00 61.98 59.46 2rpq s VAL 29 Cb -0.08 -0.04 -0.01 0.00 -1.53 0.00 0.00 36.38 34.72 2rpq s VAL 29 CO 0.23 0.03 -0.14 0.54 -3.33 0.00 0.00 175.10 172.43 2rpq s VAL 30 N 0.30 1.09 0.07 2.04 0.11 -0.74 -4.99 120.40 118.28 2rpq s VAL 30 Ca -0.02 -0.57 0.08 0.00 -2.93 0.00 0.00 61.98 58.53 2rpq s VAL 30 Cb -0.04 -0.92 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 2rpq s VAL 30 CO -0.01 0.31 -0.18 0.00 -3.33 0.00 0.00 175.10 171.89 2rpq s GLN 31 N -0.20 1.94 -0.01 1.54 1.03 -1.26 -0.75 119.66 121.95 2rpq s GLN 31 Ca 0.03 -1.07 0.05 0.00 0.04 0.00 0.00 55.36 54.41 2rpq s GLN 31 Cb -0.07 -2.15 -0.01 0.00 0.03 0.00 0.00 33.01 30.81 2rpq s GLN 31 CO -0.00 0.51 -0.17 -0.06 -2.54 0.00 0.00 175.29 173.04 2rpq s PHE 32 N -1.02 1.49 -0.33 9.60 0.40 0.61 -4.97 117.98 123.77 2rpq s PHE 32 Ca 0.16 -0.29 -0.12 0.00 -0.60 0.00 0.00 56.93 56.08 2rpq s PHE 32 Cb -0.11 -0.95 -0.02 0.00 0.51 0.00 0.00 43.02 42.46 2rpq s PHE 32 CO 0.07 -0.02 0.21 0.21 0.70 0.00 0.00 175.22 176.40 2rpq s LYS 33 N -0.47 3.49 0.05 0.44 2.20 -1.26 -0.96 119.74 123.23 2rpq s LYS 33 Ca 0.06 -0.64 0.01 0.00 -0.36 0.00 0.00 55.97 55.04 2rpq s LYS 33 Cb -0.07 -3.73 -0.03 0.00 -1.51 0.00 0.00 37.83 32.50 2rpq s LYS 33 CO -0.00 -0.41 -0.05 -1.50 -0.36 0.00 0.00 175.35 173.02 2rpq s ILE 34 N 1.69 0.41 0.32 5.43 2.07 0.64 -4.95 121.20 126.82 2rpq s ILE 34 Ca 0.06 -1.42 0.08 0.00 -1.41 0.00 0.00 60.65 57.96 2rpq s ILE 34 Cb -0.17 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.38 2rpq s ILE 34 CO 0.09 -0.67 0.20 -0.54 -1.91 0.00 0.00 174.94 172.12 2rpq s LYS 35 N -2.64 2.58 0.31 3.50 1.02 -1.26 -0.47 119.74 122.78 2rpq s LYS 35 Ca -0.02 -1.38 -0.01 0.00 0.02 0.00 0.00 55.97 54.59 2rpq s LYS 35 Cb -0.02 -2.35 0.49 0.00 -0.52 0.00 0.00 37.83 35.43 2rpq s LYS 35 CO -0.03 0.15 1.96 0.00 -0.92 0.00 0.00 175.35 176.51 2rpq h ARG 36 N 1.44 1.03 -0.40 1.68 2.47 -1.90 -2.44 114.38 116.26 2rpq h ARG 36 Ca -0.45 -0.06 -0.27 0.00 -1.26 0.00 0.00 59.98 57.94 2rpq h ARG 36 Cb 1.25 -0.23 -0.18 0.00 -1.65 0.00 0.00 29.97 29.15 2rpq h ARG 36 CO 0.61 0.68 -0.39 0.72 0.56 0.00 0.00 179.97 182.15 2rpq n HIS 37 N -4.43 1.38 -3.21 3.04 8.25 -1.26 -4.93 115.22 114.07 2rpq n HIS 37 Ca 0.10 -1.86 -0.39 0.00 -0.26 0.00 0.00 57.72 55.31 2rpq n HIS 37 Cb 0.07 -0.43 -0.06 0.00 1.12 0.00 0.00 29.99 30.69 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 -3.77 5.09 0.77 1.59 2.01 -0.92 -5.07 115.64 115.34 2rpq s THR 38 Ca 0.46 1.04 -0.11 0.00 0.31 0.00 0.00 61.69 63.39 2rpq s THR 38 Cb 0.40 -3.88 0.06 0.00 0.01 0.00 0.00 72.50 69.09 2rpq s THR 38 CO -0.01 0.18 1.09 -2.16 -0.69 0.00 0.00 174.62 173.03 2rpq s PRO 39 N 1.57 2.26 0.50 4.92 0.04 -1.26 -4.78 135.00 138.26 2rpq s PRO 39 Ca 0.26 1.18 0.25 0.00 0.04 0.00 0.00 61.00 62.73 2rpq s PRO 39 Cb -0.16 -1.90 1.33 0.00 0.04 0.00 0.00 34.50 33.82 2rpq s PRO 39 CO 0.10 -1.64 2.04 1.37 0.04 0.00 0.00 177.00 178.91 2rpq h LEU 40 N -1.09 0.00 -1.99 -3.56 8.10 -1.79 -2.14 115.31 112.84 2rpq h LEU 40 Ca -0.44 0.00 0.19 0.00 0.11 0.00 0.00 57.88 57.75 2rpq h LEU 40 Cb 1.23 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.42 2rpq h LEU 40 CO 0.51 0.14 0.51 0.77 -4.11 0.00 0.00 178.44 176.27 2rpq h SER 41 N 0.00 0.00 -0.22 0.17 4.64 -1.87 -2.83 113.55 113.44 2rpq h SER 41 Ca -0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 2rpq h SER 41 Cb 0.36 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2rpq h SER 41 CO 0.02 0.00 -0.37 0.50 -0.87 0.00 0.00 176.83 176.11 2rpq h LYS 42 N 0.00 0.64 -0.37 4.77 1.63 -1.73 -1.19 116.57 120.32 2rpq h LYS 42 Ca 0.32 -0.39 -0.08 0.00 -0.85 0.00 0.00 60.65 59.65 2rpq h LYS 42 Cb 1.33 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.99 2rpq h LYS 42 CO -0.00 1.01 -0.10 1.37 -3.45 0.00 0.00 179.45 178.28 2rpq h LEU 43 N 0.33 0.61 -0.62 5.20 -0.00 -1.70 -0.99 115.31 118.14 2rpq h LEU 43 Ca 0.02 -0.16 -0.01 0.00 -0.00 0.00 0.00 57.88 57.72 2rpq h LEU 43 Cb 0.96 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 41.43 2rpq h LEU 43 CO 0.08 0.75 0.33 -0.03 -0.00 0.00 0.00 178.44 179.57 2rpq h MET 44 N 0.58 0.87 -0.66 0.17 4.05 -1.32 0.14 114.93 118.76 2rpq h MET 44 Ca 0.11 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2rpq h MET 44 Cb 0.51 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 31.11 2rpq h MET 44 CO 0.03 0.67 0.36 -0.22 0.23 0.00 0.00 176.91 177.98 2rpq h LYS 45 N 0.84 0.92 -0.51 0.39 1.63 -1.05 -2.14 116.57 116.65 2rpq h LYS 45 Ca 0.22 -0.11 -0.07 0.00 -0.85 0.00 0.00 60.65 59.84 2rpq h LYS 45 Cb 0.06 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.49 2rpq h LYS 45 CO -0.03 0.69 0.05 0.00 -3.45 0.00 0.00 179.45 176.71 2rpq h ALA 46 N 1.18 1.12 -0.68 5.00 0.00 -0.88 -1.74 119.26 123.26 2rpq h ALA 46 Ca 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2rpq h ALA 46 Cb 0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2rpq h ALA 46 CO -0.04 0.57 0.39 -0.92 0.00 0.00 0.00 179.25 179.25 2rpq h TYR 47 N 0.78 0.93 -0.56 0.00 3.20 -0.52 0.94 116.97 121.74 2rpq h TYR 47 Ca 0.16 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 2rpq h TYR 47 Cb 0.40 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 2rpq h TYR 47 CO 0.02 0.65 0.29 0.00 -1.64 0.00 0.00 178.16 177.49 2rpq h GLU 49 N 0.76 0.14 -0.12 0.00 5.08 -1.04 -2.01 114.58 117.39 2rpq h GLU 49 Ca 0.20 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.36 2rpq h GLU 49 Cb 0.07 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.32 2rpq h GLU 49 CO -0.03 0.43 -0.51 0.00 -1.00 0.00 0.00 179.01 177.90 2rpq h ARG 50 N -0.16 0.56 -0.22 2.33 3.08 -0.81 -3.37 114.38 115.79 2rpq h ARG 50 Ca 0.02 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.63 2rpq h ARG 50 Cb 0.37 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2rpq h ARG 50 CO 0.01 1.06 0.00 1.04 -1.07 0.00 0.00 179.97 181.01 2rpq n GLN 51 N -4.21 2.62 -0.92 0.04 1.13 -0.04 -4.99 117.38 111.01 2rpq n GLN 51 Ca -0.08 -1.79 0.00 0.00 -1.94 0.00 0.00 57.00 53.20 2rpq n GLN 51 Cb 0.60 -1.18 0.00 0.00 0.11 0.00 0.00 30.24 29.77 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 0.23 0.55 3.90 1.08 0.00 -0.76 -4.96 105.19 105.22 2rpq n GLY 52 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 2.86 -0.11 0.99 1.43 -1.18 -5.01 118.68 117.65 2rpq s LEU 53 Ca 0.00 0.91 -0.05 0.00 -1.03 0.00 0.00 54.13 53.96 2rpq s LEU 53 Cb 0.00 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 2rpq s LEU 53 CO 0.00 -1.45 0.10 -0.55 0.23 0.00 0.00 176.35 174.68 2rpq s SER 54 N -4.42 6.01 0.47 2.29 0.15 -1.26 -4.49 113.70 112.46 2rpq s SER 54 Ca 0.58 0.36 0.17 0.00 0.70 0.00 0.00 55.95 57.76 2rpq s SER 54 Cb -0.11 -1.88 1.12 0.00 -1.71 0.00 0.00 66.02 63.43 2rpq s SER 54 CO 0.49 0.39 2.03 0.00 1.20 0.00 0.00 173.24 177.36 2rpq h MET 55 N 5.09 0.00 -0.01 5.44 -0.00 -1.89 -1.99 114.93 121.58 2rpq h MET 55 Ca -0.53 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.17 2rpq h MET 55 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.82 2rpq h MET 55 CO 0.57 0.15 -0.52 2.89 -0.00 0.00 0.00 176.91 180.00 2rpq n ARG 56 N -4.26 0.61 0.02 -0.10 1.85 -1.26 -3.89 116.66 109.63 2rpq n ARG 56 Ca -0.02 -0.44 0.06 0.00 -1.00 0.00 0.00 57.85 56.44 2rpq n ARG 56 Cb 0.22 -1.49 -0.10 0.00 -1.05 0.00 0.00 32.46 30.04 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 -0.81 0.64 -4.38 2.89 6.02 -0.79 -3.58 117.38 117.37 2rpq n GLN 57 Ca 0.08 0.02 -0.32 0.00 -0.01 0.00 0.00 57.00 56.78 2rpq n GLN 57 Cb 0.38 -1.68 -0.10 0.00 1.02 0.00 0.00 30.24 29.86 2rpq n GLN 57 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 2rpq s ILE 58 N -3.21 3.77 0.05 5.09 -4.36 -0.98 -0.12 121.20 121.44 2rpq s ILE 58 Ca -0.05 -0.78 0.01 0.00 -0.26 0.00 0.00 60.65 59.57 2rpq s ILE 58 Cb 0.10 -2.67 -0.03 0.00 1.25 0.00 0.00 42.46 41.12 2rpq s ILE 58 CO 0.84 0.36 -0.05 -0.13 0.24 0.00 0.00 174.94 176.20 2rpq s ARG 59 N -1.55 0.56 0.09 0.37 1.81 0.20 -4.85 118.95 115.58 2rpq s ARG 59 Ca 0.18 -0.97 0.08 0.00 -1.72 0.00 0.00 55.73 53.30 2rpq s ARG 59 Cb -0.11 -0.02 -0.04 0.00 -0.45 0.00 0.00 34.95 34.33 2rpq s ARG 59 CO 0.09 -0.04 -0.16 -0.06 -0.68 0.00 0.00 175.30 174.45 2rpq s PHE 60 N -2.59 2.59 0.11 -0.53 0.08 -1.26 -0.68 117.98 115.69 2rpq s PHE 60 Ca -0.02 -0.23 0.07 0.00 0.12 0.00 0.00 56.93 56.86 2rpq s PHE 60 Cb -0.02 -1.40 -0.03 0.00 -0.57 0.00 0.00 43.02 41.00 2rpq s PHE 60 CO -0.04 0.36 -0.17 1.03 -0.10 0.00 0.00 175.22 176.30 2rpq s ARG 61 N -1.97 1.03 -0.14 0.44 0.52 0.64 -2.75 118.95 116.72 2rpq s ARG 61 Ca 0.18 -1.15 -0.01 0.00 -0.52 0.00 0.00 55.73 54.23 2rpq s ARG 61 Cb -0.11 -1.10 0.04 0.00 0.52 0.00 0.00 34.95 34.30 2rpq s ARG 61 CO 0.10 0.24 -0.04 0.12 0.02 0.00 0.00 175.30 175.74 2rpq s PHE 62 N -1.55 1.42 -1.41 -0.53 5.36 0.58 -1.36 117.98 120.50 2rpq s PHE 62 Ca 0.06 -0.85 -0.08 0.00 -0.96 0.00 0.00 56.93 55.10 2rpq s PHE 62 Cb -0.08 -1.18 0.04 0.00 -0.34 0.00 0.00 43.02 41.45 2rpq s PHE 62 CO 0.04 -0.55 0.93 -3.47 -1.46 0.00 0.00 175.22 170.70 2rpq n ASP 63 N 4.95 -3.66 0.00 6.13 2.03 -1.26 -1.25 116.55 123.49 2rpq n ASP 63 Ca -0.11 -0.74 0.00 0.00 0.52 0.00 0.00 54.79 54.46 2rpq n ASP 63 Cb 0.48 -4.22 0.00 0.00 -0.72 0.00 0.00 41.12 36.66 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 -1.66 0.78 3.49 0.27 0.00 -1.26 -5.02 105.19 101.79 2rpq n GLY 64 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.14 3.66 0.23 1.61 -0.21 -0.38 -5.09 119.66 119.34 2rpq s GLN 65 Ca 0.00 -0.52 -0.31 0.00 0.02 0.00 0.00 55.36 54.55 2rpq s GLN 65 Cb 0.00 -2.95 -0.14 0.00 1.00 0.00 0.00 33.01 30.92 2rpq s GLN 65 CO 0.00 0.19 1.32 -2.30 -2.12 0.00 0.00 175.29 172.38 2rpq n PRO 66 N 3.68 1.80 -5.18 2.91 -0.02 -1.26 -0.31 135.00 136.62 2rpq n PRO 66 Ca -0.17 0.64 -0.31 0.00 -2.02 0.00 0.00 63.50 61.64 2rpq n PRO 66 Cb 0.52 -2.24 -0.16 0.00 -0.02 0.00 0.00 33.50 31.61 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 -0.21 2.08 0.27 4.25 -4.36 -1.11 -4.83 121.20 117.29 2rpq s ILE 67 Ca 0.68 -1.20 0.09 0.00 -0.26 0.00 0.00 60.65 59.96 2rpq s ILE 67 Cb -0.69 -1.74 -0.04 0.00 1.25 0.00 0.00 42.46 41.23 2rpq s ILE 67 CO 0.52 0.51 0.07 0.20 0.24 0.00 0.00 174.94 176.48 2rpq s ASN 68 N -0.81 4.84 0.48 4.36 0.01 -1.26 -4.55 114.94 118.01 2rpq s ASN 68 Ca 0.11 -0.54 0.15 0.00 -0.71 0.00 0.00 52.86 51.87 2rpq s ASN 68 Cb -0.10 -1.00 1.13 0.00 0.41 0.00 0.00 41.25 41.69 2rpq s ASN 68 CO -0.00 -0.04 2.07 -0.33 -1.51 0.00 0.00 177.10 177.29 2rpq h GLU 69 N 1.74 0.01 -0.40 -0.60 5.08 -2.00 -1.28 114.58 117.13 2rpq h GLU 69 Ca -0.45 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2rpq h GLU 69 Cb 1.25 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2rpq h GLU 69 CO 0.61 0.09 0.00 2.41 -1.00 0.00 0.00 179.01 181.12 2rpq n THR 70 N -4.43 0.52 -1.19 1.13 -1.04 -1.26 -3.48 114.28 104.52 2rpq n THR 70 Ca -0.03 -0.67 -0.30 0.00 -2.04 0.00 0.00 64.05 61.01 2rpq n THR 70 Cb 0.16 0.69 0.24 0.00 -1.82 0.00 0.00 70.33 69.61 2rpq n THR 70 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2rpq s ASP 71 N -1.37 1.02 0.15 8.00 1.01 -0.49 -5.05 116.67 119.95 2rpq s ASP 71 Ca 0.38 0.51 0.11 0.00 0.71 0.00 0.00 52.55 54.26 2rpq s ASP 71 Cb 0.21 -0.67 -0.04 0.00 1.01 0.00 0.00 42.92 43.43 2rpq s ASP 71 CO 0.29 -4.05 -0.25 0.42 0.21 0.00 0.00 175.17 171.80 2rpq s THR 72 N -3.14 2.22 0.51 -1.27 -4.23 -1.26 -4.49 115.64 103.97 2rpq s THR 72 Ca 0.72 -1.86 0.20 0.00 -1.18 0.00 0.00 61.69 59.58 2rpq s THR 72 Cb -0.08 -2.00 0.35 0.00 1.34 0.00 0.00 72.50 72.12 2rpq s THR 72 CO 0.55 -0.03 2.03 -0.65 -0.54 0.00 0.00 174.62 175.99 2rpq h PRO 73 N 3.60 0.09 -0.31 3.99 0.11 -1.91 -1.91 132.00 135.65 2rpq h PRO 73 Ca -0.48 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2rpq h PRO 73 Cb 1.19 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2rpq h PRO 73 CO 0.43 0.06 0.11 0.00 -0.21 0.00 0.00 178.00 178.40 2rpq h ALA 74 N 1.79 0.41 -0.37 -0.75 0.00 -1.96 -1.12 119.26 117.26 2rpq h ALA 74 Ca 0.19 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2rpq h ALA 74 Cb 0.65 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2rpq h ALA 74 CO -0.02 0.02 -0.19 1.96 0.00 0.00 0.00 179.25 181.02 2rpq h GLN 75 N 0.36 0.71 -0.00 0.00 4.20 -1.89 -2.45 115.11 116.04 2rpq h GLN 75 Ca 0.10 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2rpq h GLN 75 Cb 0.21 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2rpq h GLN 75 CO -0.01 0.85 -0.07 -0.11 -0.67 0.00 0.00 178.83 178.83 2rpq n LEU 76 N -4.13 0.10 -3.61 1.46 7.94 -0.75 -4.94 117.00 113.07 2rpq n LEU 76 Ca 0.00 0.34 -0.21 0.00 -1.11 0.00 0.00 56.01 55.04 2rpq n LEU 76 Cb 0.40 -0.39 0.06 0.00 0.53 0.00 0.00 43.42 44.02 2rpq n LEU 76 CO 0.43 0.02 0.04 -0.62 -1.11 0.00 0.00 177.39 176.16 2rpq n GLU 77 N -1.40 -5.85 -1.87 1.96 1.02 -0.78 -4.95 120.64 108.77 2rpq n GLU 77 Ca 0.09 0.72 -0.39 0.00 -0.02 0.00 0.00 57.16 57.56 2rpq n GLU 77 Cb 0.31 -5.52 0.01 0.00 -0.02 0.00 0.00 31.44 26.23 2rpq n GLU 77 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2rpq s MET 78 N -5.84 3.67 0.36 3.49 -1.94 -0.50 -4.97 119.30 113.57 2rpq s MET 78 Ca 0.11 2.30 -0.02 0.00 -1.71 0.00 0.00 55.69 56.37 2rpq s MET 78 Cb -0.05 -2.61 0.01 0.00 2.01 0.00 0.00 34.83 34.19 2rpq s MET 78 CO 0.78 -0.79 0.50 -1.21 -0.01 0.00 0.00 175.02 174.29 2rpq s GLU 79 N -2.48 1.99 0.58 2.03 2.02 -1.26 -5.00 118.70 116.58 2rpq s GLU 79 Ca 0.62 -1.80 0.28 0.00 0.02 0.00 0.00 54.97 54.09 2rpq s GLU 79 Cb -0.41 0.46 1.54 0.00 0.10 0.00 0.00 34.13 35.81 2rpq s GLU 79 CO 0.52 -0.84 2.01 0.38 0.02 0.00 0.00 175.26 177.36 2rpq h ASP 80 N 2.07 0.00 -3.13 -0.19 3.04 -1.93 -3.26 116.42 113.02 2rpq h ASP 80 Ca -0.28 0.00 -0.53 0.00 -3.24 0.00 0.00 57.03 52.97 2rpq h ASP 80 Cb 1.24 0.00 -0.40 0.00 -1.04 0.00 0.00 39.33 39.13 2rpq h ASP 80 CO 0.38 0.00 -0.76 -1.61 -2.04 0.00 0.00 179.24 175.21 2rpq s GLU 81 N -4.71 0.54 0.22 4.15 2.02 -1.19 -1.22 118.70 118.51 2rpq s GLU 81 Ca -0.05 -0.61 0.04 0.00 0.02 0.00 0.00 54.97 54.38 2rpq s GLU 81 Cb 0.16 -1.88 -0.03 0.00 0.10 0.00 0.00 34.13 32.48 2rpq s GLU 81 CO 0.58 -0.82 0.34 0.34 0.02 0.00 0.00 175.26 175.72 2rpq s ASP 82 N 1.85 6.30 -0.12 -0.19 -1.08 -0.79 -4.99 116.67 117.65 2rpq s ASP 82 Ca 0.04 0.09 -0.02 0.00 -0.52 0.00 0.00 52.55 52.13 2rpq s ASP 82 Cb -0.17 -1.86 0.04 0.00 -1.46 0.00 0.00 42.92 39.48 2rpq s ASP 82 CO -0.19 -0.04 0.03 -0.89 0.52 0.00 0.00 175.17 174.61 2rpq s THR 83 N -1.92 0.30 -0.01 1.71 2.01 -1.26 -1.31 115.64 115.16 2rpq s THR 83 Ca 0.34 -0.11 0.08 0.00 0.31 0.00 0.00 61.69 62.31 2rpq s THR 83 Cb -0.09 -0.66 -0.02 0.00 0.01 0.00 0.00 72.50 71.73 2rpq s THR 83 CO 0.29 0.02 -0.26 -0.63 -0.69 0.00 0.00 174.62 173.35 2rpq s ILE 84 N 1.98 2.03 -0.03 1.82 -1.09 -0.27 -4.82 121.20 120.83 2rpq s ILE 84 Ca 0.03 -1.15 0.02 0.00 -2.23 0.00 0.00 60.65 57.32 2rpq s ILE 84 Cb -0.14 -1.70 -0.03 0.00 -1.58 0.00 0.00 42.46 39.01 2rpq s ILE 84 CO -0.06 0.53 -0.07 -1.81 -1.23 0.00 0.00 174.94 172.30 2rpq s ASP 85 N -0.72 4.62 -0.05 3.58 1.01 -0.46 -0.33 116.67 124.32 2rpq s ASP 85 Ca 0.10 -0.09 0.07 0.00 0.71 0.00 0.00 52.55 53.33 2rpq s ASP 85 Cb -0.10 -1.11 -0.01 0.00 1.01 0.00 0.00 42.92 42.71 2rpq s ASP 85 CO -0.00 0.32 -0.25 0.54 0.21 0.00 0.00 175.17 175.99 2rpq s VAL 86 N -0.91 2.01 0.02 -1.27 0.11 -0.77 -0.26 120.40 119.34 2rpq s VAL 86 Ca 0.15 -1.06 0.03 0.00 -2.93 0.00 0.00 61.98 58.17 2rpq s VAL 86 Cb -0.11 -1.69 -0.02 0.00 -1.53 0.00 0.00 36.38 33.03 2rpq s VAL 86 CO 0.05 0.56 -0.09 -0.36 -3.33 0.00 0.00 175.10 171.93 2rpq s PHE 87 N -0.29 0.82 -0.15 1.54 0.40 0.14 -4.35 117.98 116.09 2rpq s PHE 87 Ca 0.00 -0.31 -0.05 0.00 -0.60 0.00 0.00 56.93 55.97 2rpq s PHE 87 Cb -0.12 -0.50 -0.04 0.00 0.51 0.00 0.00 43.02 42.87 2rpq s PHE 87 CO 0.02 -0.02 0.02 1.14 0.70 0.00 0.00 175.22 177.09 2rpq s GLN 88 N -0.94 3.65 0.00 0.44 -2.07 -1.26 -0.63 119.66 118.85 2rpq s GLN 88 Ca -0.02 -0.40 0.06 0.00 -1.82 0.00 0.00 55.36 53.19 2rpq s GLN 88 Cb -0.07 -3.03 -0.03 0.00 -1.09 0.00 0.00 33.01 28.79 2rpq s GLN 88 CO 0.00 0.38 0.40 1.04 -1.32 0.00 0.00 175.29 175.80 2rpq n GLN 89 N 3.16 3.46 -1.09 9.60 1.13 0.83 -4.98 117.38 129.48 2rpq n GLN 89 Ca -0.17 -0.28 -0.04 0.00 -1.94 0.00 0.00 57.00 54.57 2rpq n GLN 89 Cb 0.53 -0.90 -0.02 0.00 0.11 0.00 0.00 30.24 29.96 2rpq n GLN 89 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2rpq n GLN 90 N -0.68 -1.89 -1.75 -1.09 10.64 -1.06 -4.96 117.38 116.59 2rpq n GLN 90 Ca 0.02 0.63 -0.42 0.00 -1.83 0.00 0.00 57.00 55.40 2rpq n GLN 90 Cb 0.12 -5.06 -0.03 0.00 -0.86 0.00 0.00 30.24 24.41 2rpq n GLN 90 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2rpq s THR 91 N -1.32 2.11 0.00 -0.39 2.01 -1.23 -4.36 115.64 112.45 2rpq s THR 91 Ca 0.00 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.06 2rpq s THR 91 Cb 0.00 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.47 2rpq s THR 91 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 2rpq n GLY 92 N 3.97 1.83 0.00 4.40 0.00 -1.26 -4.14 105.19 109.99 2rpq n GLY 92 Ca 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2rpq n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93