#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5r s ASP 2 N 0.00 5.08 -0.04 7.83 1.11 -1.26 -4.98 116.67 124.42 2k5r s ASP 2 Ca 0.00 2.30 0.02 0.00 0.18 0.00 0.00 52.55 55.05 2k5r s ASP 2 Cb 0.00 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 2k5r s ASP 2 CO 0.00 -1.66 -0.01 -2.11 1.18 0.00 0.00 175.17 172.57 2k5r n ARG 3 N -1.86 2.05 -0.19 8.23 0.00 -1.26 -4.40 116.66 119.24 2k5r n ARG 3 Ca 0.13 0.01 -0.09 0.00 -0.00 0.00 0.00 57.85 57.90 2k5r n ARG 3 Cb 0.50 -1.09 0.01 0.00 -0.00 0.00 0.00 32.46 31.89 2k5r n ARG 3 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2k5r h LYS 4 N 0.00 0.86 0.17 2.89 1.79 -1.99 -2.26 116.57 118.03 2k5r h LYS 4 Ca -0.10 -0.22 -0.01 0.00 -2.18 0.00 0.00 60.65 58.14 2k5r h LYS 4 Cb 1.19 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 2k5r h LYS 4 CO -0.00 0.84 -0.08 -0.07 -1.08 0.00 0.00 179.45 179.05 2k5r h LEU 5 N 0.75 -0.19 -2.93 2.94 -0.00 -2.00 -3.18 115.31 110.70 2k5r h LEU 5 Ca 0.16 -0.21 -0.14 0.00 -0.00 0.00 0.00 57.88 57.70 2k5r h LEU 5 Cb 0.38 0.05 -0.07 0.00 -0.00 0.00 0.00 40.66 41.02 2k5r h LEU 5 CO 0.01 0.11 0.18 0.18 -0.00 0.00 0.00 178.44 178.91 2k5r n LEU 6 N -5.06 5.12 0.00 1.67 4.77 -1.18 -4.45 117.00 117.86 2k5r n LEU 6 Ca -0.09 -2.51 0.09 0.00 -0.03 0.00 0.00 56.01 53.48 2k5r n LEU 6 Cb 0.21 -0.91 0.44 0.00 -2.33 0.00 0.00 43.42 40.84 2k5r n LEU 6 CO 0.32 0.93 0.79 0.00 -1.33 0.00 0.00 177.39 178.11 2k5r n HIS 7 N 0.66 0.00 -2.10 -1.77 1.44 -0.86 -4.64 115.22 107.95 2k5r n HIS 7 Ca 0.14 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.49 2k5r n HIS 7 Cb 0.62 -0.38 -0.04 0.00 0.12 0.00 0.00 29.99 30.31 2k5r n HIS 7 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 2k5r s LEU 8 N -2.76 3.25 -0.11 2.39 2.96 -1.26 -4.94 118.68 118.21 2k5r s LEU 8 Ca 0.14 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.99 2k5r s LEU 8 Cb 0.12 -2.54 0.01 0.00 0.50 0.00 0.00 46.19 44.29 2k5r s LEU 8 CO 0.31 -2.41 -0.16 -0.22 -1.32 0.00 0.00 176.35 172.55 2k5r s LEU 9 N 8.95 1.77 -0.10 -0.68 0.20 -1.26 -4.87 118.68 122.68 2k5r s LEU 9 Ca 0.65 -0.44 -0.09 0.00 0.69 0.00 0.00 54.13 54.94 2k5r s LEU 9 Cb -0.10 -1.11 0.03 0.00 -0.43 0.00 0.00 46.19 44.57 2k5r s LEU 9 CO 0.13 0.03 0.26 0.00 -0.29 0.00 0.00 176.35 176.48 2k5r s SER 11 N 0.18 6.85 0.22 0.00 1.04 -1.26 -4.99 113.70 115.75 2k5r s SER 11 Ca -0.00 2.00 -0.31 0.00 0.48 0.00 0.00 55.95 58.12 2k5r s SER 11 Cb -0.02 -2.58 -0.15 0.00 0.10 0.00 0.00 66.02 63.36 2k5r s SER 11 CO -0.00 -0.42 1.07 -2.65 0.98 0.00 0.00 173.24 172.22 2k5r n PRO 12 N 0.01 1.18 -0.10 4.02 -0.02 -1.26 -4.91 135.00 133.91 2k5r n PRO 12 Ca 0.05 0.42 -0.09 0.00 -2.02 0.00 0.00 63.50 61.85 2k5r n PRO 12 Cb 0.50 -1.84 -0.01 0.00 -0.02 0.00 0.00 33.50 32.12 2k5r n PRO 12 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2k5r h ASP 13 N 2.74 0.41 0.00 2.55 2.03 -2.02 -3.28 116.42 118.85 2k5r h ASP 13 Ca -0.41 -0.07 -0.30 0.00 -0.73 0.00 0.00 57.03 55.52 2k5r h ASP 13 Cb 1.35 -0.10 -0.06 0.00 -0.83 0.00 0.00 39.33 39.69 2k5r h ASP 13 CO 0.66 0.36 -2.14 0.35 -1.03 0.00 0.00 179.24 177.44 2k5r n THR 14 N -4.80 1.14 -2.79 1.15 -2.24 -1.26 -4.71 114.28 100.76 2k5r n THR 14 Ca -0.01 -0.60 -0.40 0.00 -2.27 0.00 0.00 64.05 60.77 2k5r n THR 14 Cb 0.06 -0.81 0.01 0.00 -2.10 0.00 0.00 70.33 67.49 2k5r n THR 14 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2k5r n ARG 15 N -2.79 4.89 -1.91 -0.78 1.74 -1.25 -5.01 116.66 111.54 2k5r n ARG 15 Ca -0.30 -4.66 -0.43 0.00 -0.77 0.00 0.00 57.85 51.69 2k5r n ARG 15 Cb 0.98 -2.45 -0.03 0.00 -1.02 0.00 0.00 32.46 29.94 2k5r n ARG 15 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2k5r s GLN 16 N -3.79 3.72 -0.35 5.56 -0.21 -1.24 -4.50 119.66 118.85 2k5r s GLN 16 Ca 0.38 1.94 -0.23 0.00 0.02 0.00 0.00 55.36 57.47 2k5r s GLN 16 Cb 0.16 -4.14 0.01 0.00 1.00 0.00 0.00 33.01 30.04 2k5r s GLN 16 CO -0.06 -1.41 0.75 -1.25 -2.12 0.00 0.00 175.29 171.20 2k5r s PRO 17 N 5.00 3.78 0.34 2.91 0.04 -1.26 -5.06 135.00 140.75 2k5r s PRO 17 Ca 0.81 0.30 0.08 0.00 0.04 0.00 0.00 61.00 62.23 2k5r s PRO 17 Cb -0.30 -3.79 -0.03 0.00 0.04 0.00 0.00 34.50 30.41 2k5r s PRO 17 CO 0.33 -0.79 0.22 -0.51 0.04 0.00 0.00 177.00 176.29 2k5r s LEU 18 N 2.97 3.41 0.14 -3.56 1.43 -1.26 -1.48 118.68 120.33 2k5r s LEU 18 Ca 0.30 -0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 52.63 2k5r s LEU 18 Cb -0.14 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.14 2k5r s LEU 18 CO 0.15 -0.35 0.30 -0.44 0.23 0.00 0.00 176.35 176.25 2k5r s SER 19 N -3.93 -0.01 -0.23 2.29 0.01 0.70 -4.78 113.70 107.75 2k5r s SER 19 Ca 0.40 -0.69 -0.28 0.00 1.31 0.00 0.00 55.95 56.68 2k5r s SER 19 Cb -0.04 0.43 0.01 0.00 0.21 0.00 0.00 66.02 66.63 2k5r s SER 19 CO 0.25 -0.86 1.01 -0.22 0.41 0.00 0.00 173.24 173.83 2k5r s LEU 20 N -2.91 4.10 -0.18 2.44 1.98 -1.26 0.09 118.68 122.94 2k5r s LEU 20 Ca 0.11 1.34 -0.29 0.00 -2.89 0.00 0.00 54.13 52.40 2k5r s LEU 20 Cb 0.03 -3.50 -0.03 0.00 0.66 0.00 0.00 46.19 43.36 2k5r s LEU 20 CO -0.05 -0.65 1.50 -0.22 -1.89 0.00 0.00 176.35 175.04 2k5r s LEU 21 N 3.13 4.06 0.46 -0.68 2.96 -0.51 -4.78 118.68 123.32 2k5r s LEU 21 Ca 0.43 1.72 -0.24 0.00 -0.22 0.00 0.00 54.13 55.81 2k5r s LEU 21 Cb -0.15 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 42.93 2k5r s LEU 21 CO 0.06 -1.04 1.34 -1.83 -1.32 0.00 0.00 176.35 173.56 2k5r s GLU 22 N 4.19 3.64 0.65 1.98 1.03 -1.26 -4.65 118.70 124.27 2k5r s GLU 22 Ca 0.66 2.22 0.32 0.00 0.03 0.00 0.00 54.97 58.19 2k5r s GLU 22 Cb -0.25 -2.56 1.72 0.00 -0.80 0.00 0.00 34.13 32.25 2k5r s GLU 22 CO 0.25 -0.78 2.00 0.66 -1.33 0.00 0.00 175.26 176.06 2k5r h SER 23 N 2.18 0.00 0.06 0.83 4.64 -1.96 0.20 113.55 119.49 2k5r h SER 23 Ca -0.50 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.60 2k5r h SER 23 Cb 1.27 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.36 2k5r h SER 23 CO 0.60 0.00 -0.80 0.11 -0.87 0.00 0.00 176.83 175.87 2k5r h LYS 24 N 0.00 0.61 0.02 4.77 6.56 -2.00 -0.74 116.57 125.79 2k5r h LYS 24 Ca 0.04 -0.53 -0.11 0.00 -1.06 0.00 0.00 60.65 58.99 2k5r h LYS 24 Cb 0.63 0.12 0.01 0.00 -0.57 0.00 0.00 32.23 32.41 2k5r h LYS 24 CO -0.00 1.15 -0.45 0.78 -2.06 0.00 0.00 179.45 178.86 2k5r h GLY 25 N 0.87 0.31 0.48 3.86 0.00 -1.25 -3.36 103.07 103.98 2k5r h GLY 25 Ca -0.05 -0.58 0.14 0.00 0.00 0.00 0.00 47.33 46.84 2k5r h GLY 25 CO 0.15 0.51 0.59 -2.00 0.00 0.00 0.00 176.54 175.79 2k5r h LEU 26 N -0.34 0.71 -0.93 3.11 5.85 -0.74 -0.54 115.31 122.43 2k5r h LEU 26 Ca -0.06 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.75 2k5r h LEU 26 Cb 1.21 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 2k5r h LEU 26 CO 0.09 0.35 0.60 1.05 -0.34 0.00 0.00 178.44 180.19 2k5r h GLU 27 N 0.75 1.09 -0.90 1.25 4.11 -1.28 -2.04 114.58 117.56 2k5r h GLU 27 Ca 0.47 -0.07 0.06 0.00 0.07 0.00 0.00 59.36 59.89 2k5r h GLU 27 Cb 0.70 -0.25 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 2k5r h GLU 27 CO -0.23 0.72 0.59 0.00 0.07 0.00 0.00 179.01 180.16 2k5r h ALA 28 N 1.41 1.50 0.08 1.06 0.00 -1.25 0.20 119.26 122.25 2k5r h ALA 28 Ca 0.39 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 2k5r h ALA 28 Cb 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2k5r h ALA 28 CO -0.15 0.38 -0.04 -0.07 0.00 0.00 0.00 179.25 179.37 2k5r h LEU 29 N 1.04 -0.09 -0.90 0.00 -0.00 -1.36 -0.45 115.31 113.55 2k5r h LEU 29 Ca 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.26 2k5r h LEU 29 Cb 0.16 0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 40.80 2k5r h LEU 29 CO -0.14 -0.07 0.56 0.78 -0.00 0.00 0.00 178.44 179.57 2k5r h ASN 30 N -0.11 1.07 -0.63 -0.43 2.35 -0.73 0.18 115.58 117.28 2k5r h ASN 30 Ca -0.01 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 2k5r h ASN 30 Cb 0.08 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 2k5r h ASN 30 CO 0.02 0.81 0.24 0.11 -1.65 0.00 0.00 177.43 176.96 2k5r h LYS 31 N 1.24 0.98 -0.15 0.81 6.56 -0.55 0.02 116.57 125.48 2k5r h LYS 31 Ca 0.33 -0.17 -0.09 0.00 -1.06 0.00 0.00 60.65 59.65 2k5r h LYS 31 Cb -0.08 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 31.41 2k5r h LYS 31 CO -0.06 0.82 -0.32 0.00 -2.06 0.00 0.00 179.45 177.83 2k5r h ALA 32 N 1.30 1.18 -0.01 3.86 0.00 -0.21 0.12 119.26 125.51 2k5r h ALA 32 Ca 0.22 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k5r h ALA 32 Cb 0.22 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2k5r h ALA 32 CO -0.02 0.54 0.00 0.82 0.00 0.00 0.00 179.25 180.59 2k5r h ILE 33 N 0.26 1.17 -0.72 0.00 2.04 0.02 0.46 117.51 120.73 2k5r h ILE 33 Ca 0.03 -0.50 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 2k5r h ILE 33 Cb 0.69 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 2k5r h ILE 33 CO 0.05 0.13 0.33 0.58 0.00 0.00 0.00 178.15 179.25 2k5r h VAL 34 N -0.20 1.23 0.00 1.67 2.07 -0.90 -0.85 116.25 119.27 2k5r h VAL 34 Ca 0.00 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 2k5r h VAL 34 Cb 0.21 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2k5r h VAL 34 CO -0.00 0.28 -0.04 -1.28 0.02 0.00 0.00 177.57 176.55 2k5r h SER 35 N 1.03 0.00 -2.66 0.57 0.87 -0.88 -3.47 113.55 109.01 2k5r h SER 35 Ca 0.25 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.67 2k5r h SER 35 Cb 0.12 0.00 0.05 0.00 -0.44 0.00 0.00 62.40 62.13 2k5r h SER 35 CO -0.03 0.04 -0.23 0.61 -0.53 0.00 0.00 176.83 176.69 2k5r n GLY 36 N -0.18 0.44 0.07 5.77 0.00 0.02 -4.96 105.19 106.34 2k5r n GLY 36 Ca -0.00 -0.36 0.01 0.00 0.00 0.00 0.00 46.02 45.67 2k5r n GLY 36 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k5r n THR 37 N -3.28 0.00 -2.30 2.61 5.66 -0.41 -4.95 114.28 111.60 2k5r n THR 37 Ca -0.00 -0.49 -0.38 0.00 -3.05 0.00 0.00 64.05 60.13 2k5r n THR 37 Cb 0.52 1.04 -0.03 0.00 -1.55 0.00 0.00 70.33 70.31 2k5r n THR 37 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2k5r s VAL 38 N -0.48 3.58 -0.52 1.08 1.01 -1.23 -4.86 120.40 118.97 2k5r s VAL 38 Ca 0.02 0.08 -0.24 0.00 0.00 0.00 0.00 61.98 61.85 2k5r s VAL 38 Cb 0.02 -4.46 0.04 0.00 0.00 0.00 0.00 36.38 31.98 2k5r s VAL 38 CO 0.05 -1.40 0.90 -1.10 0.00 0.00 0.00 175.10 173.54 2k5r s GLN 39 N 6.29 3.35 0.85 2.72 -0.21 -1.26 -0.57 119.66 130.83 2k5r s GLN 39 Ca 0.53 -0.24 -0.12 0.00 0.02 0.00 0.00 55.36 55.56 2k5r s GLN 39 Cb -0.08 -4.03 0.11 0.00 1.00 0.00 0.00 33.01 30.01 2k5r s GLN 39 CO 0.12 -1.39 1.17 0.50 -2.12 0.00 0.00 175.29 173.57 2k5r s ARG 40 N 3.74 1.42 0.44 2.91 6.06 0.63 -4.67 118.95 129.49 2k5r s ARG 40 Ca 0.30 1.61 0.21 0.00 -2.50 0.00 0.00 55.73 55.34 2k5r s ARG 40 Cb -0.13 -1.77 1.17 0.00 0.06 0.00 0.00 34.95 34.29 2k5r s ARG 40 CO 0.20 -2.34 1.86 0.00 -2.50 0.00 0.00 175.30 172.52 2k5r h ALA 41 N -1.35 2.34 0.00 6.12 0.00 -1.60 0.22 119.26 124.99 2k5r h ALA 41 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2k5r h ALA 41 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2k5r h ALA 41 CO 0.45 -0.62 0.00 -0.25 0.00 0.00 0.00 179.25 178.83 2k5r n ASP 42 N -4.46 0.00 -0.41 0.00 9.92 -1.26 -4.82 116.55 115.52 2k5r n ASP 42 Ca 0.19 -0.01 -0.04 0.00 -0.53 0.00 0.00 54.79 54.41 2k5r n ASP 42 Cb 0.75 -0.19 -0.00 0.00 -0.64 0.00 0.00 41.12 41.04 2k5r n ASP 42 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k5r n GLY 43 N -0.43 0.25 3.26 0.44 0.00 0.77 -5.06 105.19 104.42 2k5r n GLY 43 Ca 0.06 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 2k5r n GLY 43 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k5r s SER 44 N -2.84 2.70 0.16 1.61 0.15 -1.23 -4.90 113.70 109.34 2k5r s SER 44 Ca 0.00 -0.44 -0.30 0.00 0.70 0.00 0.00 55.95 55.91 2k5r s SER 44 Cb 0.00 -0.29 -0.07 0.00 -1.71 0.00 0.00 66.02 63.95 2k5r s SER 44 CO 0.00 0.26 1.14 -0.63 1.20 0.00 0.00 173.24 175.22 2k5r s ILE 45 N -0.59 3.82 -0.37 6.45 -1.09 -1.26 -0.27 121.20 127.88 2k5r s ILE 45 Ca 0.09 1.51 -0.21 0.00 -2.23 0.00 0.00 60.65 59.81 2k5r s ILE 45 Cb -0.09 -3.96 0.01 0.00 -1.58 0.00 0.00 42.46 36.84 2k5r s ILE 45 CO -0.00 0.23 0.64 -1.58 -1.23 0.00 0.00 174.94 173.00 2k5r s GLN 46 N -0.10 3.60 -0.01 2.79 0.74 0.27 -4.89 119.66 122.06 2k5r s GLN 46 Ca 0.52 -0.03 0.14 0.00 0.05 0.00 0.00 55.36 56.04 2k5r s GLN 46 Cb -0.30 -3.84 -0.18 0.00 1.10 0.00 0.00 33.01 29.79 2k5r s GLN 46 CO 0.34 -0.80 0.44 0.09 -0.55 0.00 0.00 175.29 174.82 2k5r n ASN 47 N 6.11 1.20 -4.70 6.67 4.13 -1.26 -4.53 115.26 122.89 2k5r n ASN 47 Ca -0.01 -0.42 -0.40 0.00 1.68 0.00 0.00 54.58 55.43 2k5r n ASN 47 Cb 0.48 1.31 -0.05 0.00 -1.54 0.00 0.00 39.78 39.98 2k5r n ASN 47 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2k5r s GLN 48 N -2.61 4.35 0.97 3.52 -0.21 -1.26 -4.77 119.66 119.65 2k5r s GLN 48 Ca 0.00 0.80 -0.12 0.00 0.02 0.00 0.00 55.36 56.06 2k5r s GLN 48 Cb 0.10 -3.50 0.17 0.00 1.00 0.00 0.00 33.01 30.78 2k5r s GLN 48 CO 0.57 -0.06 1.11 -1.54 -2.12 0.00 0.00 175.29 173.24 2k5r s SER 49 N 0.93 2.95 0.03 5.90 1.04 -1.26 -5.05 113.70 118.23 2k5r s SER 49 Ca 0.34 1.14 0.02 0.00 0.48 0.00 0.00 55.95 57.93 2k5r s SER 49 Cb -0.17 -1.78 -0.02 0.00 0.10 0.00 0.00 66.02 64.15 2k5r s SER 49 CO 0.15 -2.92 -0.07 -1.48 0.98 0.00 0.00 173.24 169.89 2k5r s LEU 50 N -6.31 2.17 -0.02 2.42 0.05 -1.26 -5.06 118.68 110.67 2k5r s LEU 50 Ca 0.65 -0.40 0.20 0.00 0.05 0.00 0.00 54.13 54.62 2k5r s LEU 50 Cb -0.17 -0.22 -0.27 0.00 -2.05 0.00 0.00 46.19 43.48 2k5r s LEU 50 CO 0.56 -0.11 0.58 1.41 -0.55 0.00 0.00 176.35 178.25 2k5r n HIS 51 N 1.96 0.00 -3.63 3.48 8.25 -1.26 -4.91 115.22 119.10 2k5r n HIS 51 Ca -0.19 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.16 2k5r n HIS 51 Cb 0.56 -0.28 -0.07 0.00 1.12 0.00 0.00 29.99 31.32 2k5r n HIS 51 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2k5r s GLU 52 N -3.16 0.73 0.11 -0.41 2.12 -1.26 -5.08 118.70 111.75 2k5r s GLU 52 Ca -0.02 0.96 -0.10 0.00 0.36 0.00 0.00 54.97 56.17 2k5r s GLU 52 Cb 0.13 0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.84 2k5r s GLU 52 CO 0.81 -0.10 0.25 0.00 -0.54 0.00 0.00 175.26 175.68 2k5r s ALA 53 N 0.67 -0.34 -0.21 6.30 0.00 -1.26 -1.13 121.76 125.79 2k5r s ALA 53 Ca -0.02 -0.54 -0.07 0.00 0.00 0.00 0.00 51.96 51.33 2k5r s ALA 53 Cb -0.05 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.62 2k5r s ALA 53 CO -0.05 -0.56 0.05 -0.51 0.00 0.00 0.00 175.76 174.68 2k5r s LEU 54 N -2.87 3.51 -0.15 0.00 1.43 0.69 -1.42 118.68 119.87 2k5r s LEU 54 Ca 0.06 -0.11 -0.07 0.00 -1.03 0.00 0.00 54.13 52.98 2k5r s LEU 54 Cb 0.04 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 2k5r s LEU 54 CO -0.10 0.07 0.10 -0.51 0.23 0.00 0.00 176.35 176.14 2k5r s ILE 55 N 1.00 5.17 0.60 -0.59 1.10 0.11 -0.52 121.20 128.07 2k5r s ILE 55 Ca 0.03 0.09 -0.20 0.00 -0.51 0.00 0.00 60.65 60.07 2k5r s ILE 55 Cb -0.14 -3.29 -0.03 0.00 0.15 0.00 0.00 42.46 39.14 2k5r s ILE 55 CO 0.03 0.53 1.33 0.42 -2.11 0.00 0.00 174.94 175.13 2k5r s THR 56 N -0.27 2.03 0.48 4.00 -4.23 -0.79 -0.22 115.64 116.65 2k5r s THR 56 Ca 0.10 0.02 0.20 0.00 -1.18 0.00 0.00 61.69 60.83 2k5r s THR 56 Cb -0.12 -3.01 0.37 0.00 1.34 0.00 0.00 72.50 71.08 2k5r s THR 56 CO 0.01 -0.00 1.97 -0.09 -0.54 0.00 0.00 174.62 175.97 2k5r h ARG 57 N 1.01 0.20 -0.49 3.99 2.43 -1.56 0.23 114.38 120.19 2k5r h ARG 57 Ca -0.51 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 2k5r h ARG 57 Cb 1.32 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2k5r h ARG 57 CO 0.55 0.14 0.00 -0.25 -1.51 0.00 0.00 179.97 178.90 2k5r n ASP 58 N -4.43 3.29 -3.68 -3.80 8.00 -1.26 -4.97 116.55 109.70 2k5r n ASP 58 Ca 0.11 -1.97 -0.23 0.00 0.71 0.00 0.00 54.79 53.42 2k5r n ASP 58 Cb 0.53 -0.32 0.05 0.00 -0.02 0.00 0.00 41.12 41.35 2k5r n ASP 58 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2k5r n ARG 59 N 1.34 -5.63 -0.11 -1.24 3.00 0.82 -4.95 116.66 109.89 2k5r n ARG 59 Ca 0.20 0.68 -0.17 0.00 -0.01 0.00 0.00 57.85 58.54 2k5r n ARG 59 Cb 0.55 -5.43 -0.06 0.00 0.00 0.00 0.00 32.46 27.52 2k5r n ARG 59 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2k5r n LYS 60 N -4.40 0.55 -4.22 5.56 4.76 -1.26 -4.71 118.16 114.45 2k5r n LYS 60 Ca -0.20 0.26 -0.27 0.00 -2.87 0.00 0.00 58.31 55.23 2k5r n LYS 60 Cb 0.64 -1.48 -0.08 0.00 -1.84 0.00 0.00 35.03 32.26 2k5r n LYS 60 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2k5r s GLN 61 N -2.69 2.35 -0.04 1.97 1.11 -1.26 -1.58 119.66 119.52 2k5r s GLN 61 Ca -0.32 -1.13 0.05 0.00 0.01 0.00 0.00 55.36 53.97 2k5r s GLN 61 Cb 0.08 -2.33 -0.00 0.00 -1.01 0.00 0.00 33.01 29.75 2k5r s GLN 61 CO 0.45 0.45 -0.18 0.08 0.01 0.00 0.00 175.29 176.10 2k5r s VAL 62 N -1.71 1.47 0.22 1.09 1.01 0.87 -1.89 120.40 121.46 2k5r s VAL 62 Ca 0.27 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.59 2k5r s VAL 62 Cb -0.09 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 2k5r s VAL 62 CO 0.18 0.42 -0.02 -0.36 0.00 0.00 0.00 175.10 175.32 2k5r s PHE 63 N -0.03 2.73 -0.13 5.22 0.08 0.32 -0.66 117.98 125.51 2k5r s PHE 63 Ca -0.03 -0.20 -0.03 0.00 0.12 0.00 0.00 56.93 56.80 2k5r s PHE 63 Cb -0.11 -1.27 -0.03 0.00 -0.57 0.00 0.00 43.02 41.04 2k5r s PHE 63 CO 0.02 0.57 -0.04 0.50 -0.10 0.00 0.00 175.22 176.17 2k5r s ARG 64 N -3.31 3.46 -0.46 0.44 3.52 -1.25 -0.22 118.95 121.13 2k5r s ARG 64 Ca 0.29 -0.51 -0.18 0.00 -0.13 0.00 0.00 55.73 55.20 2k5r s ARG 64 Cb -0.08 -2.85 0.04 0.00 -1.56 0.00 0.00 34.95 30.50 2k5r s ARG 64 CO 0.19 0.35 0.51 0.42 -0.81 0.00 0.00 175.30 175.96 2k5r s ILE 65 N 0.05 5.02 -0.20 4.11 1.01 -0.28 -0.63 121.20 130.28 2k5r s ILE 65 Ca 0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 60.65 59.99 2k5r s ILE 65 Cb -0.13 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 2k5r s ILE 65 CO 0.03 -0.60 0.42 -0.70 0.00 0.00 0.00 174.94 174.09 2k5r s GLU 66 N 2.27 4.17 0.00 2.79 2.56 0.00 -4.41 118.70 126.08 2k5r s GLU 66 Ca 0.12 0.24 0.00 0.00 0.00 0.00 0.00 54.97 55.33 2k5r s GLU 66 Cb -0.19 -3.55 0.00 0.00 2.00 0.00 0.00 34.13 32.39 2k5r s GLU 66 CO 0.12 -0.08 0.00 -3.47 -0.56 0.00 0.00 175.26 171.28 2k5r n ASP 67 N 4.59 0.00 0.00 -1.70 2.03 -1.26 -0.53 116.55 119.68 2k5r n ASP 67 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 2k5r n ASP 67 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 2k5r n ASP 67 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2k5r n SER 68 N 1.30 0.00 -4.39 1.67 2.88 -1.26 -5.10 113.62 108.72 2k5r n SER 68 Ca 0.00 -1.00 -0.36 0.00 -1.33 0.00 0.00 58.87 56.18 2k5r n SER 68 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 2k5r n SER 68 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2k5r s ILE 69 N 0.00 3.90 -0.68 2.46 -1.09 0.31 -5.05 121.20 121.05 2k5r s ILE 69 Ca 0.00 -0.31 -0.26 0.00 -2.23 0.00 0.00 60.65 57.85 2k5r s ILE 69 Cb 0.00 -2.80 -0.03 0.00 -1.58 0.00 0.00 42.46 38.04 2k5r s ILE 69 CO 0.00 0.38 1.92 -2.16 -1.23 0.00 0.00 174.94 173.85 2k5r s PRO 70 N 1.53 2.56 -0.85 2.79 0.04 -1.26 -0.81 135.00 138.99 2k5r s PRO 70 Ca 0.06 0.43 -0.25 0.00 0.04 0.00 0.00 61.00 61.28 2k5r s PRO 70 Cb -0.15 -4.57 0.01 0.00 0.04 0.00 0.00 34.50 29.83 2k5r s PRO 70 CO 0.01 -2.95 1.61 0.08 0.04 0.00 0.00 177.00 175.79 2k5r s VAL 71 N 9.58 3.65 -0.52 -0.36 1.01 0.20 -4.82 120.40 129.14 2k5r s VAL 71 Ca 0.70 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.54 2k5r s VAL 71 Cb -0.11 -4.56 0.47 0.00 0.00 0.00 0.00 36.38 32.18 2k5r s VAL 71 CO 0.15 -1.48 1.28 0.18 0.00 0.00 0.00 175.10 175.23 2k5r n LEU 72 N 11.00 3.98 -4.75 3.92 4.77 -1.26 -3.75 117.00 130.91 2k5r n LEU 72 Ca 0.25 -2.03 -0.41 0.00 -0.03 0.00 0.00 56.01 53.79 2k5r n LEU 72 Cb 0.50 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 40.94 2k5r n LEU 72 CO 0.67 0.52 1.15 -0.76 -1.33 0.00 0.00 177.39 177.63 2k5r s LEU 73 N -1.66 4.37 0.56 2.23 1.43 -1.26 -4.90 118.68 119.46 2k5r s LEU 73 Ca 0.32 2.76 0.26 0.00 -1.03 0.00 0.00 54.13 56.44 2k5r s LEU 73 Cb 0.25 -3.63 1.51 0.00 0.03 0.00 0.00 46.19 44.35 2k5r s LEU 73 CO 0.09 -0.77 2.07 1.55 0.23 0.00 0.00 176.35 179.52 2k5r h PRO 74 N 4.89 0.00 0.01 1.29 0.13 -1.99 -0.12 132.00 136.20 2k5r h PRO 74 Ca -0.46 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.47 2k5r h PRO 74 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2k5r h PRO 74 CO 0.78 0.00 -0.88 1.05 -0.23 0.00 0.00 178.00 178.71 2k5r h GLU 75 N 0.00 0.09 0.00 0.86 4.11 -1.98 -3.27 114.58 114.39 2k5r h GLU 75 Ca 0.13 -0.11 0.00 0.00 0.07 0.00 0.00 59.36 59.45 2k5r h GLU 75 Cb 0.58 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2k5r h GLU 75 CO -0.00 0.91 0.00 1.49 0.07 0.00 0.00 179.01 181.48 2k5r h GLU 76 N 0.05 0.00 -6.72 1.06 4.57 -1.36 -3.15 114.58 109.02 2k5r h GLU 76 Ca -0.03 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.63 2k5r h GLU 76 Cb 1.53 0.00 0.07 0.00 -0.16 0.00 0.00 28.75 30.19 2k5r h GLU 76 CO 0.12 0.00 0.96 0.00 -1.18 0.00 0.00 179.01 178.91 2k5r s ALA 77 N -3.42 3.86 0.05 2.92 0.00 -1.15 -4.65 121.76 119.38 2k5r s ALA 77 Ca 0.04 1.59 0.06 0.00 0.00 0.00 0.00 51.96 53.65 2k5r s ALA 77 Cb 0.08 -3.68 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 2k5r s ALA 77 CO 0.57 -0.96 -0.12 0.42 0.00 0.00 0.00 175.76 175.67 2k5r s ILE 78 N 0.65 3.24 -0.25 0.00 -1.09 0.16 -3.61 121.20 120.31 2k5r s ILE 78 Ca 0.70 -1.10 -0.13 0.00 -2.23 0.00 0.00 60.65 57.88 2k5r s ILE 78 Cb -0.49 -2.44 -0.04 0.00 -1.58 0.00 0.00 42.46 37.91 2k5r s ILE 78 CO 0.39 0.27 0.28 0.00 -1.23 0.00 0.00 174.94 174.65 2k5r s ALA 79 N -1.05 3.57 0.36 9.38 0.00 -1.26 -0.09 121.76 132.66 2k5r s ALA 79 Ca 0.18 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.34 2k5r s ALA 79 Cb -0.11 -2.54 0.67 0.00 0.00 0.00 0.00 23.12 21.14 2k5r s ALA 79 CO 0.09 -0.43 2.00 1.79 0.00 0.00 0.00 175.76 179.21 2k5r h THR 80 N 5.21 1.16 0.00 0.00 1.35 -1.57 -1.88 112.91 117.17 2k5r h THR 80 Ca -0.35 -0.33 -0.01 0.00 -0.55 0.00 0.00 66.41 65.17 2k5r h THR 80 Cb 1.17 0.37 -0.00 0.00 -1.73 0.00 0.00 68.15 67.95 2k5r h THR 80 CO 0.64 0.16 -0.04 -0.29 -0.25 0.00 0.00 175.52 175.75 2k5r h ILE 81 N 0.76 0.26 -0.08 6.82 2.10 -1.89 -0.15 117.51 125.34 2k5r h ILE 81 Ca 0.20 -0.24 0.00 0.00 1.08 0.00 0.00 64.86 65.90 2k5r h ILE 81 Cb -0.04 1.18 0.00 0.00 -1.09 0.00 0.00 36.82 36.87 2k5r h ILE 81 CO -0.04 0.04 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 2k5r n GLN 82 N -3.39 1.60 -3.29 2.19 3.00 -0.71 -4.73 117.38 112.05 2k5r n GLN 82 Ca -0.02 -0.89 -0.46 0.00 -0.01 0.00 0.00 57.00 55.62 2k5r n GLN 82 Cb 0.16 -1.43 -0.05 0.00 0.00 0.00 0.00 30.24 28.92 2k5r n GLN 82 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2k5r s ILE 83 N -1.90 5.19 -2.00 5.09 -1.09 -0.07 -4.74 121.20 121.68 2k5r s ILE 83 Ca 0.35 -1.50 0.05 0.00 -2.23 0.00 0.00 60.65 57.33 2k5r s ILE 83 Cb 0.19 -4.36 0.14 0.00 -1.58 0.00 0.00 42.46 36.85 2k5r s ILE 83 CO 0.30 -0.90 0.96 0.00 -1.23 0.00 0.00 174.94 174.07 2k5r n ALA 84 N 5.29 2.28 -0.05 9.38 0.00 -1.26 -2.64 120.51 133.51 2k5r n ALA 84 Ca -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2k5r n ALA 84 Cb 0.40 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.78 2k5r n ALA 84 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k5r n ASN 85 N -0.60 1.85 -4.74 0.00 3.02 -1.26 -5.07 115.26 108.46 2k5r n ASN 85 Ca 0.04 -1.90 -0.42 0.00 -0.03 0.00 0.00 54.58 52.28 2k5r n ASN 85 Cb 0.02 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.16 2k5r n ASN 85 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2k5r s PHE 86 N -0.90 3.07 0.71 3.10 5.36 -1.08 -4.68 117.98 123.56 2k5r s PHE 86 Ca 0.00 0.98 -0.16 0.00 -0.96 0.00 0.00 56.93 56.79 2k5r s PHE 86 Cb 0.00 -3.80 0.03 0.00 -0.34 0.00 0.00 43.02 38.91 2k5r s PHE 86 CO 0.00 -2.68 1.26 -2.14 -1.46 0.00 0.00 175.22 170.20 2k5r s PRO 87 N -0.00 2.17 -0.62 10.12 0.02 -1.26 -4.93 135.00 140.50 2k5r s PRO 87 Ca 0.61 1.94 -0.24 0.00 0.02 0.00 0.00 61.00 63.33 2k5r s PRO 87 Cb -0.41 -1.82 0.05 0.00 0.02 0.00 0.00 34.50 32.35 2k5r s PRO 87 CO 0.40 -1.86 0.99 -0.51 -0.33 0.00 0.00 177.00 175.69 2k5r s ASP 88 N -1.71 6.25 -0.04 2.53 1.11 -1.26 -4.98 116.67 118.57 2k5r s ASP 88 Ca 0.79 -0.64 -0.01 0.00 0.18 0.00 0.00 52.55 52.86 2k5r s ASP 88 Cb -0.34 -2.44 0.03 0.00 1.07 0.00 0.00 42.92 41.24 2k5r s ASP 88 CO 0.44 -1.39 0.07 -1.59 1.18 0.00 0.00 175.17 173.89 2k5r s LYS 89 N 4.19 -0.00 0.40 8.23 0.00 -1.26 -5.15 119.74 126.14 2k5r s LYS 89 Ca 0.27 0.28 -0.26 0.00 0.00 0.00 0.00 55.97 56.26 2k5r s LYS 89 Cb -0.14 -0.26 -0.09 0.00 0.00 0.00 0.00 37.83 37.35 2k5r s LYS 89 CO 0.15 -0.19 1.24 -0.48 0.00 0.00 0.00 175.35 176.06 2k5r s LEU 90 N 1.27 4.22 0.29 2.77 0.05 -1.26 -5.00 118.68 121.03 2k5r s LEU 90 Ca -0.07 2.51 -0.28 0.00 0.05 0.00 0.00 54.13 56.34 2k5r s LEU 90 Cb -0.12 -3.94 -0.09 0.00 -2.05 0.00 0.00 46.19 39.98 2k5r s LEU 90 CO -0.04 -0.75 1.02 -1.61 -0.55 0.00 0.00 176.35 174.43 2k5r s GLU 91 N -2.22 4.61 0.32 1.48 2.02 -1.26 -5.06 118.70 118.59 2k5r s GLU 91 Ca 0.56 1.60 -0.04 0.00 0.02 0.00 0.00 54.97 57.11 2k5r s GLU 91 Cb -0.35 -3.05 -0.05 0.00 0.10 0.00 0.00 34.13 30.78 2k5r s GLU 91 CO 0.44 0.25 0.58 -1.01 0.02 0.00 0.00 175.26 175.54 2k5r s HIS 92 N -1.32 3.49 -0.66 1.61 3.76 -1.26 -5.00 115.29 115.91 2k5r s HIS 92 Ca 0.47 0.63 -0.26 0.00 -0.15 0.00 0.00 55.06 55.75 2k5r s HIS 92 Cb -0.27 -2.11 -0.02 0.00 1.11 0.00 0.00 32.58 31.30 2k5r s HIS 92 CO 0.34 0.12 1.84 -1.01 -0.85 0.00 0.00 174.74 175.18 2k5r s HIS 93 N -2.18 1.72 -0.85 1.40 0.09 -1.26 -4.88 115.29 109.33 2k5r s HIS 93 Ca 0.44 0.71 -0.25 0.00 -0.00 0.00 0.00 55.06 55.95 2k5r s HIS 93 Cb -0.10 -4.12 -0.17 0.00 -0.00 0.00 0.00 32.58 28.19 2k5r s HIS 93 CO 0.32 -2.22 2.34 1.58 -0.00 0.00 0.00 174.74 176.76 2k5r n HIS 94 N 12.72 1.07 -2.46 1.40 -0.00 -1.26 -4.92 115.22 121.76 2k5r n HIS 94 Ca 0.22 -0.05 -0.40 0.00 -0.00 0.00 0.00 57.72 57.50 2k5r n HIS 94 Cb 0.51 -2.55 -0.04 0.00 -0.00 0.00 0.00 29.99 27.92 2k5r n HIS 94 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k5r s HIS 95 N 14.91 3.49 0.94 1.57 2.46 -1.26 -4.91 115.29 132.48 2k5r s HIS 95 Ca 0.91 1.68 -0.11 0.00 0.47 0.00 0.00 55.06 58.01 2k5r s HIS 95 Cb -0.13 -3.28 0.16 0.00 -0.13 0.00 0.00 32.58 29.19 2k5r s HIS 95 CO 0.12 -0.64 1.10 -3.38 -2.47 0.00 0.00 174.74 169.47 2k5r s HIS 96 N -1.25 1.89 -1.38 3.88 -3.43 -1.26 -5.14 115.29 108.59 2k5r s HIS 96 Ca 0.47 1.51 0.11 0.00 -0.80 0.00 0.00 55.06 56.35 2k5r s HIS 96 Cb -0.31 -3.20 0.09 0.00 -1.43 0.00 0.00 32.58 27.73 2k5r s HIS 96 CO 0.39 -2.77 0.85 -2.39 -2.00 0.00 0.00 174.74 168.83