#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpq h GLU 2 N 0.00 0.58 -6.44 0.03 4.81 -2.03 -3.39 114.58 108.14 2kpq h GLU 2 Ca 0.00 -0.07 -0.57 0.00 -0.13 0.00 0.00 59.36 58.59 2kpq h GLU 2 Cb 0.00 -0.11 -0.08 0.00 0.63 0.00 0.00 28.75 29.19 2kpq h GLU 2 CO 0.00 0.46 0.82 0.08 -0.73 0.00 0.00 179.01 179.64 2kpq s VAL 3 N -5.87 4.38 0.07 0.32 1.01 -1.26 -5.02 120.40 114.03 2kpq s VAL 3 Ca -0.13 1.31 0.06 0.00 0.00 0.00 0.00 61.98 63.22 2kpq s VAL 3 Cb 0.11 -4.49 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 2kpq s VAL 3 CO 0.74 -0.77 -0.10 -1.10 0.00 0.00 0.00 175.10 173.87 2kpq s GLN 4 N 4.00 2.23 0.41 2.72 -0.21 -1.26 -5.12 119.66 122.44 2kpq s GLN 4 Ca 0.45 -0.94 -0.23 0.00 0.02 0.00 0.00 55.36 54.66 2kpq s GLN 4 Cb -0.10 -2.34 -0.10 0.00 1.00 0.00 0.00 33.01 31.48 2kpq s GLN 4 CO 0.24 0.54 0.99 -1.54 -2.12 0.00 0.00 175.29 173.41 2kpq s SER 5 N -1.90 6.85 0.47 5.90 1.04 -1.26 -4.94 113.70 119.87 2kpq s SER 5 Ca 0.19 1.87 0.22 0.00 0.48 0.00 0.00 55.95 58.71 2kpq s SER 5 Cb -0.11 -2.57 1.16 0.00 0.10 0.00 0.00 66.02 64.61 2kpq s SER 5 CO 0.11 -0.42 1.97 -0.03 0.98 0.00 0.00 173.24 175.85 2kpq h MET 6 N 2.27 0.00 -5.56 4.02 4.05 -2.05 -3.39 114.93 114.28 2kpq h MET 6 Ca -0.48 0.00 -0.61 0.00 -0.28 0.00 0.00 59.70 58.33 2kpq h MET 6 Cb 1.20 0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 31.89 2kpq h MET 6 CO 0.62 0.20 0.21 -1.17 0.23 0.00 0.00 176.91 177.00 2kpq s LEU 7 N -7.57 4.07 0.32 3.39 2.96 -1.26 -5.05 118.68 115.53 2kpq s LEU 7 Ca -0.02 0.76 -0.26 0.00 -0.22 0.00 0.00 54.13 54.39 2kpq s LEU 7 Cb 0.13 -2.91 -0.10 0.00 0.50 0.00 0.00 46.19 43.81 2kpq s LEU 7 CO 0.64 -0.39 0.94 -0.76 -1.32 0.00 0.00 176.35 175.45 2kpq s LEU 8 N 2.56 4.34 -0.07 -0.68 1.43 -1.26 -5.05 118.68 119.95 2kpq s LEU 8 Ca 0.28 1.83 -0.08 0.00 -1.03 0.00 0.00 54.13 55.12 2kpq s LEU 8 Cb -0.15 -4.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.01 2kpq s LEU 8 CO 0.08 -0.07 0.22 0.20 0.23 0.00 0.00 176.35 177.02 2kpq s ASN 9 N -1.62 6.49 -0.85 2.29 0.01 -1.22 -5.03 114.94 115.01 2kpq s ASN 9 Ca 0.50 0.58 -0.24 0.00 -0.71 0.00 0.00 52.86 52.99 2kpq s ASN 9 Cb -0.19 -2.11 0.05 0.00 0.41 0.00 0.00 41.25 39.42 2kpq s ASN 9 CO 0.24 0.36 1.29 -1.81 -1.51 0.00 0.00 177.10 175.66 2kpq s ASP 10 N -1.22 6.33 -0.41 -1.22 1.11 -1.26 -4.82 116.67 115.19 2kpq s ASP 10 Ca 0.20 -1.04 -0.16 0.00 0.18 0.00 0.00 52.55 51.73 2kpq s ASP 10 Cb -0.13 -2.53 0.02 0.00 1.07 0.00 0.00 42.92 41.34 2kpq s ASP 10 CO 0.09 -1.60 0.37 -0.69 1.18 0.00 0.00 175.17 174.53 2kpq s VAL 11 N 4.97 5.17 0.30 -1.27 1.01 -1.26 -5.04 120.40 124.27 2kpq s VAL 11 Ca 0.37 -0.44 -0.23 0.00 0.00 0.00 0.00 61.98 61.69 2kpq s VAL 11 Cb -0.06 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.26 2kpq s VAL 11 CO 0.03 -0.35 0.86 -0.75 0.00 0.00 0.00 175.10 174.89 2kpq s LYS 12 N 1.94 4.41 0.30 2.72 2.20 -1.26 -0.65 119.74 129.40 2kpq s LYS 12 Ca 0.09 1.12 -0.24 0.00 -0.36 0.00 0.00 55.97 56.57 2kpq s LYS 12 Cb -0.18 -2.74 -0.10 0.00 -1.51 0.00 0.00 37.83 33.30 2kpq s LYS 12 CO 0.12 0.28 0.90 -1.58 -0.36 0.00 0.00 175.35 174.71 2kpq s TRP 13 N -1.66 3.67 0.08 4.03 0.51 0.82 -4.84 118.94 121.55 2kpq s TRP 13 Ca 0.49 1.69 -0.23 0.00 -2.12 0.00 0.00 56.10 55.93 2kpq s TRP 13 Cb -0.16 -2.85 -0.16 0.00 -0.81 0.00 0.00 33.47 29.49 2kpq s TRP 13 CO 0.21 0.23 1.68 0.93 -0.51 0.00 0.00 176.95 179.49 2kpq h GLU 14 N 3.18 -0.00 -4.07 4.98 5.08 -1.90 -3.39 114.58 118.46 2kpq h GLU 14 Ca -0.47 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.29 2kpq h GLU 14 Cb 1.19 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.05 2kpq h GLU 14 CO 0.65 0.06 -0.76 0.15 -1.00 0.00 0.00 179.01 178.11 2kpq s LYS 15 N -5.96 1.17 0.52 2.33 1.02 -1.26 -5.10 119.74 112.47 2kpq s LYS 15 Ca -0.13 -1.19 -0.20 0.00 0.02 0.00 0.00 55.97 54.46 2kpq s LYS 15 Cb 0.05 -2.47 -0.09 0.00 -0.52 0.00 0.00 37.83 34.81 2kpq s LYS 15 CO 0.66 -0.83 0.76 -2.30 -0.92 0.00 0.00 175.35 172.72 2kpq n PRO 16 N 4.67 0.82 -4.07 -1.68 -0.02 -1.26 -4.96 135.00 128.50 2kpq n PRO 16 Ca -0.04 0.31 -0.35 0.00 -2.02 0.00 0.00 63.50 61.40 2kpq n PRO 16 Cb 0.43 -1.88 -0.12 0.00 -0.02 0.00 0.00 33.50 31.91 2kpq n PRO 16 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2kpq s VAL 17 N -1.52 4.16 -0.35 -1.45 1.01 -0.81 -4.83 120.40 116.60 2kpq s VAL 17 Ca 0.69 -0.25 -0.22 0.00 0.00 0.00 0.00 61.98 62.20 2kpq s VAL 17 Cb -0.48 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.02 2kpq s VAL 17 CO 0.53 0.43 0.74 -0.89 0.00 0.00 0.00 175.10 175.92 2kpq s THR 18 N 0.87 4.78 -0.04 3.92 2.01 -1.26 -0.02 115.64 125.90 2kpq s THR 18 Ca 0.02 0.85 0.07 0.00 0.31 0.00 0.00 61.69 62.93 2kpq s THR 18 Cb -0.14 -4.16 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 2kpq s THR 18 CO 0.02 -0.37 -0.25 -0.63 -0.69 0.00 0.00 174.62 172.70 2kpq s ILE 19 N 2.97 2.09 -0.32 1.82 -1.09 0.50 -4.51 121.20 122.66 2kpq s ILE 19 Ca 0.30 -1.07 -0.15 0.00 -2.23 0.00 0.00 60.65 57.50 2kpq s ILE 19 Cb -0.14 -1.74 -0.02 0.00 -1.58 0.00 0.00 42.46 38.98 2kpq s ILE 19 CO 0.16 0.57 0.37 -0.55 -1.23 0.00 0.00 174.94 174.26 2kpq s SER 20 N -0.33 6.20 0.89 3.58 0.15 -1.26 0.24 113.70 123.17 2kpq s SER 20 Ca 0.02 -0.09 -0.12 0.00 0.70 0.00 0.00 55.95 56.46 2kpq s SER 20 Cb -0.12 -2.20 0.13 0.00 -1.71 0.00 0.00 66.02 62.11 2kpq s SER 20 CO 0.02 -0.30 1.09 -0.76 1.20 0.00 0.00 173.24 174.49 2kpq s LEU 21 N 2.05 2.23 0.62 3.45 1.02 -0.49 -4.82 118.68 122.74 2kpq s LEU 21 Ca 0.13 1.40 0.35 0.00 0.02 0.00 0.00 54.13 56.03 2kpq s LEU 21 Cb -0.16 -3.82 2.06 0.00 0.02 0.00 0.00 46.19 44.29 2kpq s LEU 21 CO 0.11 -2.58 2.30 1.56 0.02 0.00 0.00 176.35 177.77 2kpq h GLN 22 N -1.51 0.00 0.00 1.70 4.20 -1.91 0.12 115.11 117.71 2kpq h GLN 22 Ca -0.50 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.21 2kpq h GLN 22 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 2kpq h GLN 22 CO 0.56 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.81 2kpq n ASN 23 N -3.56 0.72 -0.78 1.46 3.02 -1.26 -4.90 115.26 109.95 2kpq n ASN 23 Ca -0.03 0.64 0.00 0.00 -0.03 0.00 0.00 54.58 55.16 2kpq n ASN 23 Cb 0.08 -0.81 0.00 0.00 -0.61 0.00 0.00 39.78 38.44 2kpq n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kpq n GLY 24 N 0.38 0.83 2.82 7.41 0.00 0.42 -5.11 105.19 111.96 2kpq n GLY 24 Ca 0.03 -0.48 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 2kpq n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kpq s ALA 25 N -2.48 -0.28 -0.68 4.61 0.00 -1.23 -4.94 121.76 116.75 2kpq s ALA 25 Ca 0.00 0.46 -0.27 0.00 0.00 0.00 0.00 51.96 52.14 2kpq s ALA 25 Cb 0.00 -1.13 0.02 0.00 0.00 0.00 0.00 23.12 22.01 2kpq s ALA 25 CO 0.00 -0.93 1.36 -2.14 0.00 0.00 0.00 175.76 174.05 2kpq s PRO 26 N 2.33 3.16 -0.15 0.00 0.02 -1.26 -1.39 135.00 137.71 2kpq s PRO 26 Ca 0.05 0.01 -0.14 0.00 0.02 0.00 0.00 61.00 60.94 2kpq s PRO 26 Cb -0.14 -4.18 -0.05 0.00 0.02 0.00 0.00 34.50 30.15 2kpq s PRO 26 CO -0.10 -2.15 0.30 1.03 -0.33 0.00 0.00 177.00 175.76 2kpq s ARG 27 N 5.80 4.23 -0.38 5.54 0.52 0.14 -4.82 118.95 129.98 2kpq s ARG 27 Ca 0.42 0.12 -0.19 0.00 -0.52 0.00 0.00 55.73 55.57 2kpq s ARG 27 Cb -0.09 -3.41 0.01 0.00 0.52 0.00 0.00 34.95 31.97 2kpq s ARG 27 CO 0.18 0.26 0.54 0.42 0.02 0.00 0.00 175.30 176.73 2kpq s ILE 28 N 0.39 4.97 -0.28 1.52 1.01 -1.26 -0.37 121.20 127.17 2kpq s ILE 28 Ca 0.17 0.23 -0.26 0.00 0.00 0.00 0.00 60.65 60.79 2kpq s ILE 28 Cb -0.13 -4.04 0.01 0.00 0.01 0.00 0.00 42.46 38.31 2kpq s ILE 28 CO 0.05 -0.33 0.93 -0.36 0.00 0.00 0.00 174.94 175.22 2kpq s PHE 29 N 2.48 3.24 -0.10 3.97 0.08 0.97 -4.85 117.98 123.78 2kpq s PHE 29 Ca 0.19 1.11 0.14 0.00 0.12 0.00 0.00 56.93 58.50 2kpq s PHE 29 Cb -0.15 -3.33 -0.05 0.00 -0.57 0.00 0.00 43.02 38.92 2kpq s PHE 29 CO 0.15 -0.57 1.20 -0.91 -0.10 0.00 0.00 175.22 174.98 2kpq h ASN 30 N 7.89 0.00 -4.97 1.36 2.35 -1.95 -2.15 115.58 118.11 2kpq h ASN 30 Ca -0.22 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.37 2kpq h ASN 30 Cb 1.08 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.30 2kpq h ASN 30 CO 0.94 0.62 -0.69 -0.83 -1.65 0.00 0.00 177.43 175.82 2kpq s GLY 31 N -4.63 0.58 0.44 2.83 0.00 -1.26 -0.13 107.32 105.16 2kpq s GLY 31 Ca 0.01 -1.24 0.11 0.00 0.00 0.00 0.00 44.72 43.60 2kpq s GLY 31 CO 0.78 -1.35 2.02 -2.08 0.00 0.00 0.00 173.10 172.47 2kpq h VAL 32 N 3.14 1.11 -0.83 1.40 2.07 -1.21 -2.55 116.25 119.39 2kpq h VAL 32 Ca -0.34 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 2kpq h VAL 32 Cb 1.15 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 2kpq h VAL 32 CO 0.64 0.14 0.47 0.22 0.02 0.00 0.00 177.57 179.06 2kpq h TYR 33 N 0.21 1.12 -0.79 1.57 3.20 -1.91 0.27 116.97 120.64 2kpq h TYR 33 Ca 0.05 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 2kpq h TYR 33 Cb 0.17 -0.36 -0.04 0.00 1.54 0.00 0.00 36.73 38.04 2kpq h TYR 33 CO 0.00 0.77 0.45 0.93 -1.64 0.00 0.00 178.16 178.67 2kpq h GLU 34 N 1.14 1.08 -0.11 1.82 5.08 -1.84 -0.16 114.58 121.60 2kpq h GLU 34 Ca 0.29 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.44 2kpq h GLU 34 Cb 0.00 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.04 2kpq h GLU 34 CO -0.05 0.79 -0.31 0.00 -1.00 0.00 0.00 179.01 178.44 2kpq h ALA 35 N 1.23 0.19 -0.70 3.43 0.00 -1.40 -1.55 119.26 120.46 2kpq h ALA 35 Ca 0.28 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2kpq h ALA 35 Cb 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2kpq h ALA 35 CO -0.05 0.22 0.43 0.35 0.00 0.00 0.00 179.25 180.20 2kpq h PHE 36 N -0.02 0.91 0.08 0.00 3.57 -0.31 0.14 116.94 121.31 2kpq h PHE 36 Ca -0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2kpq h PHE 36 Cb 0.92 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.36 2kpq h PHE 36 CO 0.11 0.61 -0.04 0.22 -2.23 0.00 0.00 178.31 176.98 2kpq h ASP 37 N 0.95 -0.09 -0.82 0.41 3.58 -1.06 -2.77 116.42 116.62 2kpq h ASP 37 Ca 0.25 -0.04 0.14 0.00 0.42 0.00 0.00 57.03 57.80 2kpq h ASP 37 Cb -0.04 0.02 -0.09 0.00 1.72 0.00 0.00 39.33 40.94 2kpq h ASP 37 CO -0.05 -0.02 0.40 0.15 -2.88 0.00 0.00 179.24 176.84 2kpq h PHE 38 N -0.16 0.71 -0.54 0.28 3.57 -0.67 -1.42 116.94 118.71 2kpq h PHE 38 Ca -0.01 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.58 2kpq h PHE 38 Cb 0.13 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 2kpq h PHE 38 CO -0.06 0.17 0.26 -0.07 -2.23 0.00 0.00 178.31 176.38 2kpq h LEU 39 N 0.60 0.35 -0.34 0.59 3.38 -0.50 -0.20 115.31 119.18 2kpq h LEU 39 Ca 0.44 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.45 2kpq h LEU 39 Cb 0.60 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2kpq h LEU 39 CO -0.35 0.24 0.00 1.56 0.09 0.00 0.00 178.44 179.97 2kpq h GLN 40 N 0.49 0.00 0.00 1.13 4.20 -1.03 -3.17 115.11 116.73 2kpq h GLN 40 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 2kpq h GLN 40 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2kpq h GLN 40 CO -0.19 0.00 -0.16 0.45 -0.67 0.00 0.00 178.83 178.27 2kpq h HIS 41 N 0.00 0.00 -1.12 2.96 3.86 -0.56 -3.47 115.15 116.83 2kpq h HIS 41 Ca 0.00 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.99 2kpq h HIS 41 Cb 0.76 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 29.03 2kpq h HIS 41 CO 0.00 0.00 -0.56 -1.91 0.86 0.00 0.00 177.93 176.32 2kpq n GLU 42 N -3.90 0.51 -3.03 2.45 2.13 -0.16 -5.10 120.64 113.53 2kpq n GLU 42 Ca -0.02 -2.18 -0.42 0.00 0.66 0.00 0.00 57.16 55.19 2kpq n GLU 42 Cb 0.08 -1.49 -0.06 0.00 0.27 0.00 0.00 31.44 30.24 2kpq n GLU 42 CO 0.00 0.00 0.00 -0.46 -0.41 0.00 0.00 177.13 176.26 2kpq s TRP 43 N 0.72 3.11 0.37 4.31 -0.00 -1.20 -4.83 118.94 121.42 2kpq s TRP 43 Ca 0.31 0.39 0.15 0.00 -0.00 0.00 0.00 56.10 56.94 2kpq s TRP 43 Cb 0.03 -3.31 1.01 0.00 -0.00 0.00 0.00 33.47 31.19 2kpq s TRP 43 CO -0.09 -0.72 1.76 -1.35 -0.00 0.00 0.00 176.95 176.56 2kpq h PRO 44 N 8.54 0.47 -5.70 5.86 0.11 -1.94 -3.32 132.00 136.03 2kpq h PRO 44 Ca -0.25 -0.03 -0.66 0.00 0.11 0.00 0.00 66.00 65.17 2kpq h PRO 44 Cb 1.10 -0.11 -0.12 0.00 0.11 0.00 0.00 31.00 31.99 2kpq h PRO 44 CO 0.88 0.31 1.60 0.00 -0.21 0.00 0.00 178.00 180.58 2kpq s ALA 45 N -5.60 3.16 0.04 -0.75 0.00 -1.26 -4.95 121.76 112.39 2kpq s ALA 45 Ca -0.10 -2.68 -0.00 0.00 0.00 0.00 0.00 51.96 49.19 2kpq s ALA 45 Cb 0.26 -4.44 -0.04 0.00 0.00 0.00 0.00 23.12 18.89 2kpq s ALA 45 CO 0.80 -3.32 0.16 -0.98 0.00 0.00 0.00 175.76 172.42 2kpq s ARG 46 N 3.98 3.29 0.00 0.00 1.70 -1.25 -3.94 118.95 122.73 2kpq s ARG 46 Ca 0.46 -0.46 0.00 0.00 -0.47 0.00 0.00 55.73 55.26 2kpq s ARG 46 Cb 0.00 -2.98 0.00 0.00 -0.57 0.00 0.00 34.95 31.41 2kpq s ARG 46 CO -0.03 0.62 0.00 0.41 -1.08 0.00 0.00 175.30 175.22 2kpq n GLY 47 N 0.59 -1.32 0.00 3.88 0.00 -1.26 -4.92 105.19 102.16 2kpq n GLY 47 Ca -0.08 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2kpq n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kpq n ASP 48 N 0.00 0.00 0.01 1.61 2.03 -1.26 -4.92 116.55 114.01 2kpq n ASP 48 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 2kpq n ASP 48 Cb 0.00 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 40.57 2kpq n ASP 48 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2kpq h ARG 49 N 0.00 0.51 -0.38 -0.67 2.43 -1.97 0.61 114.38 114.91 2kpq h ARG 49 Ca 0.00 -0.22 -0.15 0.00 -0.81 0.00 0.00 59.98 58.80 2kpq h ARG 49 Cb 0.00 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2kpq h ARG 49 CO 0.00 0.76 -0.36 0.00 -1.51 0.00 0.00 179.97 178.86 2kpq h ALA 50 N 1.23 0.55 -0.15 2.80 0.00 -1.94 -0.52 119.26 121.24 2kpq h ALA 50 Ca 0.05 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 2kpq h ALA 50 Cb 0.76 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2kpq h ALA 50 CO 0.06 0.63 -0.23 1.25 0.00 0.00 0.00 179.25 180.96 2kpq h HIS 51 N 0.72 0.51 0.10 0.00 -0.00 -1.59 -3.11 115.15 111.78 2kpq h HIS 51 Ca 0.06 -0.17 0.02 0.00 -0.00 0.00 0.00 60.37 60.28 2kpq h HIS 51 Cb 0.95 -0.10 -0.05 0.00 -0.00 0.00 0.00 27.41 28.21 2kpq h HIS 51 CO 0.06 0.85 -0.39 1.49 -0.00 0.00 0.00 177.93 179.95 2kpq h GLU 52 N 0.03 -0.59 -0.56 5.26 4.81 0.27 -2.70 114.58 121.11 2kpq h GLU 52 Ca 0.01 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.39 2kpq h GLU 52 Cb 0.80 0.13 -0.08 0.00 0.63 0.00 0.00 28.75 30.23 2kpq h GLU 52 CO 0.05 -0.39 0.09 0.37 -0.73 0.00 0.00 179.01 178.40 2kpq h GLN 53 N -0.61 0.21 -0.39 1.92 4.15 -1.16 0.17 115.11 119.41 2kpq h GLN 53 Ca 0.03 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.49 2kpq h GLN 53 Cb 0.65 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.24 2kpq h GLN 53 CO -0.24 0.14 0.09 0.00 -1.93 0.00 0.00 178.83 176.90 2kpq h ALA 54 N 1.45 0.43 -0.17 3.38 0.00 -1.43 -0.17 119.26 122.74 2kpq h ALA 54 Ca 0.29 0.07 -0.19 0.00 0.00 0.00 0.00 54.91 55.07 2kpq h ALA 54 Cb 0.42 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2kpq h ALA 54 CO -0.39 -0.31 -0.66 -0.07 0.00 0.00 0.00 179.25 177.83 2kpq h LEU 55 N 0.23 0.76 -0.88 0.00 4.07 -1.02 -2.69 115.31 115.78 2kpq h LEU 55 Ca 0.18 -0.46 -0.02 0.00 0.08 0.00 0.00 57.88 57.66 2kpq h LEU 55 Cb 0.20 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.68 2kpq h LEU 55 CO -0.23 1.22 0.45 0.03 -1.08 0.00 0.00 178.44 178.84 2kpq h ARG 56 N 0.48 1.25 -0.11 1.13 2.47 -0.23 0.12 114.38 119.49 2kpq h ARG 56 Ca -0.02 -0.17 -0.01 0.00 -1.26 0.00 0.00 59.98 58.53 2kpq h ARG 56 Cb 1.25 -0.23 -0.00 0.00 -1.65 0.00 0.00 29.97 29.33 2kpq h ARG 56 CO 0.13 0.93 0.02 -0.07 0.56 0.00 0.00 179.97 181.54 2kpq h LEU 57 N 1.24 0.17 -1.05 3.04 3.38 -1.01 -2.57 115.31 118.51 2kpq h LEU 57 Ca 0.31 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 2kpq h LEU 57 Cb 0.07 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2kpq h LEU 57 CO -0.04 0.38 -0.14 0.00 0.09 0.00 0.00 178.44 178.73 2kpq h ARG 59 N 0.47 1.08 -0.02 0.00 2.43 -0.68 -1.57 114.38 116.09 2kpq h ARG 59 Ca 0.09 -0.15 -0.21 0.00 -0.81 0.00 0.00 59.98 58.89 2kpq h ARG 59 Cb 0.52 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2kpq h ARG 59 CO 0.03 0.83 -0.89 0.00 -1.51 0.00 0.00 179.97 178.43 2kpq h ALA 60 N 1.19 0.43 -0.14 2.80 0.00 -1.03 -3.21 119.26 119.31 2kpq h ALA 60 Ca 0.26 -0.69 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 2kpq h ALA 60 Cb 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2kpq h ALA 60 CO -0.04 0.82 -0.15 0.77 0.00 0.00 0.00 179.25 180.65 2kpq h SER 61 N 0.22 0.22 0.46 0.00 0.02 -0.65 -1.54 113.55 112.28 2kpq h SER 61 Ca -0.06 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2kpq h SER 61 Cb 1.51 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.99 2kpq h SER 61 CO 0.15 0.39 0.00 0.18 -1.14 0.00 0.00 176.83 176.41 2kpq n LEU 62 N -4.26 0.00 -0.29 5.07 4.77 -0.62 -1.53 117.00 120.15 2kpq n LEU 62 Ca -0.01 0.43 0.07 0.00 -0.03 0.00 0.00 56.01 56.48 2kpq n LEU 62 Cb 0.28 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 2kpq n LEU 62 CO 0.38 -0.20 0.22 0.23 -1.33 0.00 0.00 177.39 176.68 2kpq n MET 63 N -1.43 1.87 -0.71 3.23 2.81 -0.66 -3.46 117.12 118.77 2kpq n MET 63 Ca 0.05 -0.67 0.00 0.00 -1.81 0.00 0.00 57.70 55.27 2kpq n MET 63 Cb 0.16 -1.21 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 2kpq n MET 63 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kpq n GLY 64 N 1.10 0.56 0.18 3.03 0.00 -0.58 -4.91 105.19 104.58 2kpq n GLY 64 Ca 0.06 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 45.17 2kpq n GLY 64 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kpq h ASP 65 N 0.00 0.77 -3.56 1.61 3.32 -1.56 -3.43 116.42 113.57 2kpq h ASP 65 Ca 0.00 -0.60 -0.65 0.00 0.02 0.00 0.00 57.03 55.80 2kpq h ASP 65 Cb 0.00 -0.23 -0.23 0.00 0.22 0.00 0.00 39.33 39.08 2kpq h ASP 65 CO 0.00 1.40 -0.64 -0.69 -1.72 0.00 0.00 179.24 177.59 2kpq s VAL 66 N -3.34 4.13 -1.01 -1.35 1.01 -1.25 -4.98 120.40 113.60 2kpq s VAL 66 Ca -0.08 -0.24 -0.23 0.00 0.00 0.00 0.00 61.98 61.43 2kpq s VAL 66 Cb 0.08 -2.91 0.03 0.00 0.00 0.00 0.00 36.38 33.58 2kpq s VAL 66 CO 0.90 0.37 1.55 0.00 0.00 0.00 0.00 175.10 177.92 2kpq s ALA 67 N 1.45 2.54 0.00 5.51 0.00 -1.26 -4.74 121.76 125.26 2kpq s ALA 67 Ca 0.05 -2.14 0.00 0.00 0.00 0.00 0.00 51.96 49.87 2kpq s ALA 67 Cb -0.15 -4.54 0.00 0.00 0.00 0.00 0.00 23.12 18.43 2kpq s ALA 67 CO 0.02 -3.83 0.00 0.41 0.00 0.00 0.00 175.76 172.36 2kpq n GLY 68 N 6.84 0.53 0.31 0.00 0.00 -1.26 -1.79 105.19 109.82 2kpq n GLY 68 Ca 0.35 0.73 0.15 0.00 0.00 0.00 0.00 46.02 47.25 2kpq n GLY 68 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kpq h GLU 69 N 0.00 0.00 -0.38 1.61 4.81 -1.92 -0.96 114.58 117.74 2kpq h GLU 69 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kpq h GLU 69 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2kpq h GLU 69 CO 0.00 0.00 0.23 0.82 -0.73 0.00 0.00 179.01 179.33 2kpq h ILE 70 N 0.00 1.13 -0.32 2.32 2.04 -1.71 0.32 117.51 121.28 2kpq h ILE 70 Ca 0.06 -0.30 -0.13 0.00 1.00 0.00 0.00 64.86 65.50 2kpq h ILE 70 Cb 0.30 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2kpq h ILE 70 CO -0.00 0.13 -0.32 0.00 0.00 0.00 0.00 178.15 177.96 2kpq h ALA 71 N 1.10 0.84 -0.11 1.87 0.00 -1.42 -2.05 119.26 119.48 2kpq h ALA 71 Ca 0.14 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.65 2kpq h ALA 71 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2kpq h ALA 71 CO -0.03 0.64 0.05 -0.09 0.00 0.00 0.00 179.25 179.82 2kpq h ARG 72 N 0.59 0.10 -0.52 0.00 2.43 -0.77 0.24 114.38 116.46 2kpq h ARG 72 Ca 0.07 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 2kpq h ARG 72 Cb 0.83 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 2kpq h ARG 72 CO 0.07 0.07 0.00 1.15 -1.51 0.00 0.00 179.97 179.75 2kpq h THR 73 N 0.11 1.26 -0.17 0.20 2.02 -0.32 -1.42 112.91 114.60 2kpq h THR 73 Ca 0.05 -1.08 -0.09 0.00 0.77 0.00 0.00 66.41 66.05 2kpq h THR 73 Cb 0.02 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2kpq h THR 73 CO -0.04 0.38 -0.29 0.00 0.37 0.00 0.00 175.52 175.94 2kpq h ALA 74 N 0.94 1.20 -0.35 6.16 0.00 -1.21 -2.17 119.26 123.85 2kpq h ALA 74 Ca 0.15 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 2kpq h ALA 74 Cb 0.52 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2kpq h ALA 74 CO 0.03 0.52 -0.16 0.35 0.00 0.00 0.00 179.25 179.99 2kpq h PHE 75 N 0.28 0.69 -0.90 0.00 3.57 -0.17 -2.12 116.94 118.28 2kpq h PHE 75 Ca 0.04 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 2kpq h PHE 75 Cb 0.66 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 2kpq h PHE 75 CO 0.01 0.75 0.53 0.28 -2.23 0.00 0.00 178.31 177.65 2kpq h VAL 76 N 0.56 1.25 -0.61 1.41 2.07 -0.66 0.34 116.25 120.61 2kpq h VAL 76 Ca 0.09 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 2kpq h VAL 76 Cb 0.59 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2kpq h VAL 76 CO 0.04 0.27 0.21 0.00 0.02 0.00 0.00 177.57 178.11 2kpq h ALA 77 N 1.33 1.24 -0.15 1.67 0.00 -0.85 -1.32 119.26 121.19 2kpq h ALA 77 Ca 0.32 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 2kpq h ALA 77 Cb -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2kpq h ALA 77 CO -0.06 0.55 -0.73 0.00 0.00 0.00 0.00 179.25 179.01 2kpq h ALA 78 N 1.36 0.43 0.00 0.00 0.00 -0.93 -3.03 119.26 117.08 2kpq h ALA 78 Ca 0.20 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2kpq h ALA 78 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kpq h ALA 78 CO -0.01 0.71 0.00 0.77 0.00 0.00 0.00 179.25 180.71 2kpq h SER 79 N 0.48 0.00 -0.61 0.00 0.02 -0.47 -2.89 113.55 110.08 2kpq h SER 79 Ca -0.04 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2kpq h SER 79 Cb 1.34 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.84 2kpq h SER 79 CO 0.14 0.00 0.31 -0.09 -1.14 0.00 0.00 176.83 176.06 2kpq h ARG 80 N 0.00 0.90 -0.64 3.45 2.43 -1.12 -0.55 114.38 118.84 2kpq h ARG 80 Ca 0.00 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2kpq h ARG 80 Cb 0.33 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 2kpq h ARG 80 CO 0.00 0.69 0.39 0.37 -1.51 0.00 0.00 179.97 179.91 2kpq h GLN 81 N 0.90 0.87 -0.01 0.20 4.15 -1.68 -1.76 115.11 117.78 2kpq h GLN 81 Ca 0.22 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.56 2kpq h GLN 81 Cb 0.08 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.59 2kpq h GLN 81 CO -0.03 0.62 -0.05 0.00 -1.93 0.00 0.00 178.83 177.45 2kpq n ALA 82 N -2.30 2.68 -2.96 3.38 0.00 -1.03 -4.91 120.51 115.37 2kpq n ALA 82 Ca 0.05 -0.39 -0.22 0.00 0.00 0.00 0.00 53.44 52.88 2kpq n ALA 82 Cb 0.05 -1.23 0.02 0.00 0.00 0.00 0.00 19.45 18.30 2kpq n ALA 82 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2kpq n HIS 83 N -0.23 -1.82 -0.15 0.00 8.25 -0.52 -4.86 115.22 115.91 2kpq n HIS 83 Ca 0.18 0.44 -0.11 0.00 -0.26 0.00 0.00 57.72 57.97 2kpq n HIS 83 Cb 0.31 -4.21 0.07 0.00 1.12 0.00 0.00 29.99 27.27 2kpq n HIS 83 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kpq s LEU 85 N -1.45 4.13 0.03 0.00 1.43 -1.26 -4.47 118.68 117.10 2kpq s LEU 85 Ca 0.25 0.94 -0.00 0.00 -1.03 0.00 0.00 54.13 54.29 2kpq s LEU 85 Cb 0.21 -3.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 2kpq s LEU 85 CO 0.04 -0.35 -0.03 -0.04 0.23 0.00 0.00 176.35 176.19 2kpq s MET 86 N 2.18 0.44 0.34 1.70 -1.94 -1.26 -5.08 119.30 115.68 2kpq s MET 86 Ca 0.32 -0.84 -0.23 0.00 -1.71 0.00 0.00 55.69 53.23 2kpq s MET 86 Cb -0.16 0.11 -0.10 0.00 2.01 0.00 0.00 34.83 36.70 2kpq s MET 86 CO 0.10 -0.06 0.90 -1.21 -0.01 0.00 0.00 175.02 174.74 2kpq s GLU 87 N -2.36 4.40 0.29 2.03 0.41 -1.26 -4.84 118.70 117.39 2kpq s GLU 87 Ca -0.07 1.17 -0.29 0.00 -0.41 0.00 0.00 54.97 55.36 2kpq s GLU 87 Cb -0.04 -2.62 -0.10 0.00 -1.78 0.00 0.00 34.13 29.60 2kpq s GLU 87 CO -0.04 0.20 1.19 -0.51 -0.49 0.00 0.00 175.26 175.62 2kpq s ASP 88 N -1.82 7.05 -1.63 -0.19 1.01 -1.26 -2.43 116.67 117.40 2kpq s ASP 88 Ca 0.53 2.44 -0.02 0.00 0.71 0.00 0.00 52.55 56.22 2kpq s ASP 88 Cb -0.15 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.15 2kpq s ASP 88 CO 0.20 -0.32 0.20 0.29 0.21 0.00 0.00 175.17 175.75 2kpq n LYS 89 N 1.12 -2.67 0.03 8.23 4.01 -1.26 -4.88 118.16 122.74 2kpq n LYS 89 Ca -0.00 0.94 0.05 0.00 -0.51 0.00 0.00 58.31 58.79 2kpq n LYS 89 Cb 0.43 -5.60 0.46 0.00 -0.51 0.00 0.00 35.03 29.81 2kpq n LYS 89 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2kpq h ALA 90 N 0.95 1.78 -2.04 7.82 0.00 -1.89 -3.33 119.26 122.55 2kpq h ALA 90 Ca -0.49 -0.02 -0.73 0.00 0.00 0.00 0.00 54.91 53.67 2kpq h ALA 90 Cb 1.35 -0.14 -0.22 0.00 0.00 0.00 0.00 17.79 18.78 2kpq h ALA 90 CO 0.55 0.20 -0.02 -1.21 0.00 0.00 0.00 179.25 178.77 2kpq s GLU 91 N -5.43 3.07 -0.15 0.00 2.02 -1.26 -5.03 118.70 111.91 2kpq s GLU 91 Ca -0.08 -1.58 0.00 0.00 0.02 0.00 0.00 54.97 53.34 2kpq s GLU 91 Cb 0.18 -4.31 -0.00 0.00 0.10 0.00 0.00 34.13 30.10 2kpq s GLU 91 CO 0.72 -1.44 -0.16 0.00 0.02 0.00 0.00 175.26 174.41 2kpq s ALA 92 N 2.05 2.47 0.89 5.21 0.00 -1.25 -5.12 121.76 126.01 2kpq s ALA 92 Ca 0.09 -1.04 -0.12 0.00 0.00 0.00 0.00 51.96 50.88 2kpq s ALA 92 Cb -0.25 -1.19 0.13 0.00 0.00 0.00 0.00 23.12 21.80 2kpq s ALA 92 CO 0.03 -0.01 1.15 -1.25 0.00 0.00 0.00 175.76 175.68 2kpq s PRO 93 N 0.79 1.29 -0.64 0.00 0.04 -1.26 -4.60 135.00 130.62 2kpq s PRO 93 Ca -0.06 0.25 -0.07 0.00 0.04 0.00 0.00 61.00 61.16 2kpq s PRO 93 Cb -0.15 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.53 2kpq s PRO 93 CO 0.00 -2.08 0.66 -1.71 0.04 0.00 0.00 177.00 173.91 2kpq n ASN 94 N -3.68 -7.44 -4.65 6.66 5.15 -1.26 -5.03 115.26 105.01 2kpq n ASN 94 Ca 0.07 0.02 -0.29 0.00 -0.60 0.00 0.00 54.58 53.78 2kpq n ASN 94 Cb 0.60 -4.79 -0.08 0.00 -0.53 0.00 0.00 39.78 34.97 2kpq n ASN 94 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2kpq s THR 95 N -2.80 3.74 -0.28 -0.44 2.01 -1.26 -5.11 115.64 111.50 2kpq s THR 95 Ca 0.10 -1.24 0.01 0.00 0.31 0.00 0.00 61.69 60.86 2kpq s THR 95 Cb -0.02 -2.82 0.08 0.00 0.01 0.00 0.00 72.50 69.75 2kpq s THR 95 CO 0.78 0.02 0.03 -0.51 -0.69 0.00 0.00 174.62 174.24 2kpq s ILE 96 N -1.46 1.35 0.00 1.82 1.10 -1.26 -4.97 121.20 117.78 2kpq s ILE 96 Ca 0.25 -1.44 0.00 0.00 -0.51 0.00 0.00 60.65 58.95 2kpq s ILE 96 Cb -0.11 -1.85 0.00 0.00 0.15 0.00 0.00 42.46 40.65 2kpq s ILE 96 CO 0.17 -0.41 0.00 0.00 -2.11 0.00 0.00 174.94 172.59 2kpq n ALA 97 N 4.69 2.36 -3.88 1.50 0.00 -1.26 -5.06 120.51 118.86 2kpq n ALA 97 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.09 2kpq n ALA 97 Cb 0.43 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.73 2kpq n ALA 97 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2kpq s SER 98 N -1.02 3.76 -0.77 0.00 0.01 -1.26 -5.02 113.70 109.40 2kpq s SER 98 Ca 0.00 -1.24 -0.07 0.00 1.31 0.00 0.00 55.95 55.95 2kpq s SER 98 Cb 0.00 -1.05 -0.16 0.00 0.21 0.00 0.00 66.02 65.01 2kpq s SER 98 CO 0.00 -0.28 3.08 0.61 0.41 0.00 0.00 173.24 177.05 2kpq n GLY 99 N 4.74 3.45 0.00 3.44 0.00 -1.26 -5.25 105.19 110.31 2kpq n GLY 99 Ca -0.09 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2kpq n GLY 99 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76