#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 6.81 -0.07 7.83 1.01 -1.26 -4.90 116.67 126.10 2k5r s ASP 2 Ca 0.00 0.84 -0.10 0.00 0.71 0.00 0.00 52.55 53.99 2k5r s ASP 2 Cb 0.00 -2.51 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 2k5r s ASP 2 CO 0.00 -0.88 -0.20 0.54 0.21 0.00 0.00 175.17 174.84 2k5r n ARG 3 N 6.85 0.31 0.27 8.23 1.74 -1.26 -4.53 116.66 128.27 2k5r n ARG 3 Ca 0.10 0.12 0.14 0.00 -0.77 0.00 0.00 57.85 57.44 2k5r n ARG 3 Cb 0.48 -1.02 0.79 0.00 -1.02 0.00 0.00 32.46 31.68 2k5r n ARG 3 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2k5r h LYS 4 N -0.58 0.00 0.00 5.56 1.79 -2.06 -1.44 116.57 119.84 2k5r h LYS 4 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k5r h LYS 4 Cb 0.58 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 2k5r h LYS 4 CO 0.00 0.09 0.00 -0.07 -1.08 0.00 0.00 179.45 178.39 2k5r h LEU 5 N 0.00 0.00 -9.59 2.94 -0.00 -1.97 -3.43 115.31 103.26 2k5r h LEU 5 Ca -0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 57.88 57.34 2k5r h LEU 5 Cb 0.27 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.89 2k5r h LEU 5 CO 0.01 0.00 0.16 -0.76 -0.00 0.00 0.00 178.44 177.85 2k5r s LEU 6 N -5.41 4.49 0.02 1.67 1.43 -0.55 -4.97 118.68 115.37 2k5r s LEU 6 Ca 0.04 1.49 0.22 0.00 -1.03 0.00 0.00 54.13 54.85 2k5r s LEU 6 Cb 0.09 -3.23 -0.18 0.00 0.03 0.00 0.00 46.19 42.89 2k5r s LEU 6 CO 0.51 0.08 0.76 1.41 0.23 0.00 0.00 176.35 179.34 2k5r n HIS 7 N 2.45 0.16 -1.36 0.29 8.25 -1.26 -4.97 115.22 118.78 2k5r n HIS 7 Ca -0.04 0.05 -0.13 0.00 -0.26 0.00 0.00 57.72 57.34 2k5r n HIS 7 Cb 0.50 -0.43 -0.05 0.00 1.12 0.00 0.00 29.99 31.13 2k5r n HIS 7 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2k5r n LEU 8 N -2.07 -0.57 -4.54 2.41 7.99 -1.26 -4.94 117.00 114.02 2k5r n LEU 8 Ca -0.00 0.32 -0.38 0.00 -0.01 0.00 0.00 56.01 55.93 2k5r n LEU 8 Cb 0.49 -2.69 -0.11 0.00 -0.11 0.00 0.00 43.42 40.99 2k5r n LEU 8 CO 0.43 -1.04 -0.18 -0.22 -1.51 0.00 0.00 177.39 174.87 2k5r s LEU 9 N -2.94 4.07 -0.07 2.23 0.20 -1.26 -5.08 118.68 115.82 2k5r s LEU 9 Ca 0.00 -0.19 0.01 0.00 0.69 0.00 0.00 54.13 54.65 2k5r s LEU 9 Cb 0.00 -2.08 -0.03 0.00 -0.43 0.00 0.00 46.19 43.65 2k5r s LEU 9 CO 0.00 -0.11 -0.10 0.00 -0.29 0.00 0.00 176.35 175.86 2k5r s SER 11 N -0.62 7.30 0.15 0.00 0.01 -1.26 -4.96 113.70 114.33 2k5r s SER 11 Ca 0.09 2.24 -0.32 0.00 1.31 0.00 0.00 55.95 59.28 2k5r s SER 11 Cb -0.11 -2.63 -0.17 0.00 0.21 0.00 0.00 66.02 63.32 2k5r s SER 11 CO 0.02 -0.12 0.86 -2.65 0.41 0.00 0.00 173.24 171.75 2k5r n PRO 12 N 1.23 0.42 0.02 12.44 -0.02 -1.26 -4.94 135.00 142.89 2k5r n PRO 12 Ca -0.01 0.15 -0.19 0.00 -2.02 0.00 0.00 63.50 61.43 2k5r n PRO 12 Cb 0.45 -1.43 -0.14 0.00 -0.02 0.00 0.00 33.50 32.36 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 2.15 0.35 0.59 2.55 2.03 -2.02 -3.37 116.42 118.71 2k5r h ASP 13 Ca -0.38 -0.94 -0.28 0.00 -0.73 0.00 0.00 57.03 54.70 2k5r h ASP 13 Cb 1.40 -0.12 -0.03 0.00 -0.83 0.00 0.00 39.33 39.76 2k5r h ASP 13 CO 0.62 1.35 -1.47 0.71 -1.03 0.00 0.00 179.24 179.43 2k5r h THR 14 N -0.50 1.18 -3.56 1.15 1.35 -2.04 -3.42 112.91 107.07 2k5r h THR 14 Ca -0.14 -2.91 -0.76 0.00 -0.55 0.00 0.00 66.41 62.04 2k5r h THR 14 Cb 1.53 2.66 -0.30 0.00 -1.73 0.00 0.00 68.15 70.31 2k5r h THR 14 CO 0.10 0.76 0.16 -0.13 -0.25 0.00 0.00 175.52 176.16 2k5r s ARG 15 N -2.63 3.70 0.15 4.72 0.52 -1.26 -5.01 118.95 119.14 2k5r s ARG 15 Ca -0.06 -3.02 -0.05 0.00 -0.52 0.00 0.00 55.73 52.08 2k5r s ARG 15 Cb 0.08 -4.30 -0.02 0.00 0.52 0.00 0.00 34.95 31.22 2k5r s ARG 15 CO 0.83 -1.25 0.18 1.14 0.02 0.00 0.00 175.30 176.22 2k5r s GLN 16 N -0.89 1.06 -0.76 3.54 1.03 -1.26 -4.53 119.66 117.85 2k5r s GLN 16 Ca 0.26 -1.32 -0.28 0.00 0.04 0.00 0.00 55.36 54.06 2k5r s GLN 16 Cb -0.10 0.31 -0.15 0.00 0.03 0.00 0.00 33.01 33.10 2k5r s GLN 16 CO -0.09 -0.35 2.56 -2.30 -2.54 0.00 0.00 175.29 172.57 2k5r n PRO 17 N -0.17 0.48 -2.36 9.60 -0.02 -1.26 -4.75 135.00 136.53 2k5r n PRO 17 Ca -0.06 -0.01 -0.36 0.00 -2.02 0.00 0.00 63.50 61.05 2k5r n PRO 17 Cb 0.63 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.69 2k5r n PRO 17 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2k5r s LEU 18 N 10.48 3.90 0.30 2.45 1.43 -1.26 -3.66 118.68 132.32 2k5r s LEU 18 Ca 1.18 2.14 -0.02 0.00 -1.03 0.00 0.00 54.13 56.40 2k5r s LEU 18 Cb -0.75 -4.43 -0.01 0.00 0.03 0.00 0.00 46.19 41.03 2k5r s LEU 18 CO 0.38 -0.94 0.38 -0.44 0.23 0.00 0.00 176.35 175.96 2k5r s SER 19 N -1.67 0.73 0.08 2.29 0.01 -0.66 -5.00 113.70 109.48 2k5r s SER 19 Ca 0.67 -1.42 -0.30 0.00 1.31 0.00 0.00 55.95 56.21 2k5r s SER 19 Cb -0.23 0.58 -0.06 0.00 0.21 0.00 0.00 66.02 66.52 2k5r s SER 19 CO 0.28 -1.15 1.13 -0.22 0.41 0.00 0.00 173.24 173.68 2k5r s LEU 20 N -3.21 4.40 0.10 2.44 1.98 -1.26 0.19 118.68 123.31 2k5r s LEU 20 Ca 0.32 1.96 -0.31 0.00 -2.89 0.00 0.00 54.13 53.21 2k5r s LEU 20 Cb 0.01 -3.58 -0.10 0.00 0.66 0.00 0.00 46.19 43.18 2k5r s LEU 20 CO 0.18 -0.36 1.84 -0.22 -1.89 0.00 0.00 176.35 175.90 2k5r s LEU 21 N 0.71 4.40 0.34 -0.68 2.96 -0.13 -4.55 118.68 121.74 2k5r s LEU 21 Ca 0.55 2.71 -0.29 0.00 -0.22 0.00 0.00 54.13 56.88 2k5r s LEU 21 Cb -0.28 -3.56 -0.12 0.00 0.50 0.00 0.00 46.19 42.74 2k5r s LEU 21 CO 0.30 -1.00 1.40 1.21 -1.32 0.00 0.00 176.35 176.94 2k5r n GLU 22 N 6.09 2.37 -0.34 1.98 4.07 -1.26 -4.72 120.64 128.84 2k5r n GLU 22 Ca 0.18 0.83 0.12 0.00 -0.06 0.00 0.00 57.16 58.24 2k5r n GLU 22 Cb 0.39 -2.50 0.33 0.00 -0.06 0.00 0.00 31.44 29.60 2k5r n GLU 22 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2k5r h SER 23 N 3.08 0.78 -0.08 4.31 0.87 -1.98 0.23 113.55 120.75 2k5r h SER 23 Ca -0.48 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.14 2k5r h SER 23 Cb 1.26 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 2k5r h SER 23 CO 0.66 0.32 0.01 0.11 -0.53 0.00 0.00 176.83 177.40 2k5r h LYS 24 N 0.78 0.21 0.02 2.24 1.79 -2.01 -1.05 116.57 118.55 2k5r h LYS 24 Ca 0.54 -0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.87 2k5r h LYS 24 Cb 0.83 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 31.44 2k5r h LYS 24 CO -0.32 0.23 -0.47 0.78 -1.08 0.00 0.00 179.45 178.59 2k5r h GLY 25 N 0.42 0.31 0.26 3.86 0.00 -1.04 -3.34 103.07 103.55 2k5r h GLY 25 Ca 0.05 -0.59 0.12 0.00 0.00 0.00 0.00 47.33 46.92 2k5r h GLY 25 CO 0.00 0.52 0.29 -2.00 0.00 0.00 0.00 176.54 175.35 2k5r h LEU 26 N -0.35 0.30 -0.44 3.11 5.85 -0.05 0.86 115.31 124.59 2k5r h LEU 26 Ca -0.06 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.81 2k5r h LEU 26 Cb 1.23 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.27 2k5r h LEU 26 CO 0.09 0.14 0.15 1.05 -0.34 0.00 0.00 178.44 179.54 2k5r h GLU 27 N 0.47 0.31 -0.61 1.25 4.11 -1.39 -1.88 114.58 116.84 2k5r h GLU 27 Ca 0.38 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.78 2k5r h GLU 27 Cb 0.52 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2k5r h GLU 27 CO -0.36 0.21 0.34 0.00 0.07 0.00 0.00 179.01 179.27 2k5r h ALA 28 N 1.29 0.78 0.08 1.06 0.00 -0.99 -0.15 119.26 121.34 2k5r h ALA 28 Ca 0.21 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2k5r h ALA 28 Cb 0.21 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2k5r h ALA 28 CO -0.22 0.29 -0.18 -0.07 0.00 0.00 0.00 179.25 179.08 2k5r h LEU 29 N 0.83 -0.50 -0.95 0.00 -0.00 -1.10 -1.49 115.31 112.09 2k5r h LEU 29 Ca 0.21 0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 58.14 2k5r h LEU 29 Cb 0.03 0.20 -0.04 0.00 -0.00 0.00 0.00 40.66 40.85 2k5r h LEU 29 CO -0.04 -0.25 0.50 0.78 -0.00 0.00 0.00 178.44 179.43 2k5r h ASN 30 N -0.33 1.10 -0.43 -0.43 2.35 -0.91 -0.18 115.58 116.75 2k5r h ASN 30 Ca 0.03 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2k5r h ASN 30 Cb 0.36 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 2k5r h ASN 30 CO -0.11 0.87 0.28 0.11 -1.65 0.00 0.00 177.43 176.93 2k5r h LYS 31 N 1.24 0.57 -0.29 0.81 6.56 -0.87 -0.69 116.57 123.90 2k5r h LYS 31 Ca 0.32 -0.04 -0.05 0.00 -1.06 0.00 0.00 60.65 59.82 2k5r h LYS 31 Cb 0.01 -0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 31.52 2k5r h LYS 31 CO -0.05 0.39 -0.04 0.00 -2.06 0.00 0.00 179.45 177.69 2k5r h ALA 32 N 1.15 1.39 0.23 3.86 0.00 -0.77 -0.01 119.26 125.11 2k5r h ALA 32 Ca 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2k5r h ALA 32 Cb -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2k5r h ALA 32 CO -0.03 0.42 -0.11 0.82 0.00 0.00 0.00 179.25 180.35 2k5r h ILE 33 N 0.44 0.84 -0.20 0.00 2.04 -0.57 -1.51 117.51 118.54 2k5r h ILE 33 Ca 0.09 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 2k5r h ILE 33 Cb 0.35 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 2k5r h ILE 33 CO 0.01 0.09 -0.01 0.58 0.00 0.00 0.00 178.15 178.82 2k5r h VAL 34 N -0.50 1.14 0.00 1.67 2.07 -0.98 -0.16 116.25 119.49 2k5r h VAL 34 Ca -0.03 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 2k5r h VAL 34 Cb 0.37 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2k5r h VAL 34 CO 0.05 0.18 -0.07 -1.28 0.02 0.00 0.00 177.57 176.46 2k5r h SER 35 N 0.28 0.00 -2.56 0.57 0.87 -0.86 -3.47 113.55 108.38 2k5r h SER 35 Ca 0.07 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.55 2k5r h SER 35 Cb 0.22 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 62.21 2k5r h SER 35 CO 0.01 0.07 -0.17 0.61 -0.53 0.00 0.00 176.83 176.82 2k5r n GLY 36 N -0.23 0.39 0.00 5.77 0.00 -0.07 -4.98 105.19 106.06 2k5r n GLY 36 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.19 0.34 -3.42 2.61 5.66 -0.84 -5.05 114.28 111.38 2k5r n THR 37 Ca -0.04 -0.35 -0.37 0.00 -3.05 0.00 0.00 64.05 60.23 2k5r n THR 37 Cb 0.53 0.89 -0.06 0.00 -1.55 0.00 0.00 70.33 70.13 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 -0.34 5.20 -0.10 1.08 1.01 -1.25 -4.94 120.40 121.07 2k5r s VAL 38 Ca 0.00 0.80 -0.00 0.00 0.00 0.00 0.00 61.98 62.77 2k5r s VAL 38 Cb 0.00 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.67 2k5r s VAL 38 CO 0.00 0.39 -0.08 -1.10 0.00 0.00 0.00 175.10 174.31 2k5r s GLN 39 N 0.29 1.45 0.77 2.72 -0.21 -1.26 -0.34 119.66 123.07 2k5r s GLN 39 Ca 0.22 -0.24 -0.09 0.00 0.02 0.00 0.00 55.36 55.27 2k5r s GLN 39 Cb -0.15 -1.48 0.17 0.00 1.00 0.00 0.00 33.01 32.55 2k5r s GLN 39 CO 0.09 -0.22 1.05 2.89 -2.12 0.00 0.00 175.29 176.97 2k5r n ARG 40 N 4.77 -0.70 0.18 2.91 1.85 -0.78 -4.66 116.66 120.22 2k5r n ARG 40 Ca -0.14 -2.02 0.11 0.00 -1.00 0.00 0.00 57.85 54.80 2k5r n ARG 40 Cb 0.50 -0.96 0.58 0.00 -1.05 0.00 0.00 32.46 31.54 2k5r n ARG 40 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2k5r h ALA 41 N -1.35 1.05 0.00 2.89 0.00 -1.05 0.27 119.26 121.08 2k5r h ALA 41 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2k5r h ALA 41 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2k5r h ALA 41 CO 0.28 -0.05 0.00 -0.44 0.00 0.00 0.00 179.25 179.04 2k5r h ASP 42 N 0.00 0.00 0.00 0.00 3.32 -1.90 -3.47 116.42 114.37 2k5r h ASP 42 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k5r h ASP 42 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2k5r h ASP 42 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 2k5r n GLY 43 N 0.74 0.61 3.61 2.75 0.00 0.96 -5.08 105.19 108.78 2k5r n GLY 43 Ca 0.03 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 2k5r n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k5r s SER 44 N -2.62 4.69 0.18 1.61 0.01 -1.25 -4.90 113.70 111.43 2k5r s SER 44 Ca 0.00 -0.11 -0.31 0.00 1.31 0.00 0.00 55.95 56.84 2k5r s SER 44 Cb 0.00 -1.12 -0.10 0.00 0.21 0.00 0.00 66.02 65.01 2k5r s SER 44 CO 0.00 0.29 1.50 -0.63 0.41 0.00 0.00 173.24 174.81 2k5r s ILE 45 N -0.99 2.74 -0.62 1.44 -1.09 -1.26 -1.87 121.20 119.57 2k5r s ILE 45 Ca 0.17 0.56 -0.21 0.00 -2.23 0.00 0.00 60.65 58.94 2k5r s ILE 45 Cb -0.11 -3.36 0.08 0.00 -1.58 0.00 0.00 42.46 37.49 2k5r s ILE 45 CO 0.07 0.06 0.84 -1.58 -1.23 0.00 0.00 174.94 173.10 2k5r s GLN 46 N 0.63 3.10 0.00 2.79 0.74 0.53 -4.88 119.66 122.58 2k5r s GLN 46 Ca 0.66 -0.97 0.27 0.00 0.05 0.00 0.00 55.36 55.36 2k5r s GLN 46 Cb -0.42 -4.22 0.84 0.00 1.10 0.00 0.00 33.01 30.31 2k5r s GLN 46 CO 0.35 -1.65 1.62 0.09 -0.55 0.00 0.00 175.29 175.15 2k5r n ASN 47 N 7.08 1.02 -4.65 6.67 3.02 -1.26 -4.74 115.26 122.40 2k5r n ASN 47 Ca -0.06 -0.93 -0.37 0.00 -0.03 0.00 0.00 54.58 53.20 2k5r n ASN 47 Cb 0.44 0.10 -0.10 0.00 -0.61 0.00 0.00 39.78 39.62 2k5r n ASN 47 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2k5r s GLN 48 N -2.44 4.06 -0.31 3.52 -1.52 -1.26 -4.93 119.66 116.78 2k5r s GLN 48 Ca 0.26 -0.22 -0.29 0.00 -1.95 0.00 0.00 55.36 53.16 2k5r s GLN 48 Cb 0.19 -3.56 -0.00 0.00 -0.22 0.00 0.00 33.01 29.42 2k5r s GLN 48 CO 0.49 0.00 1.37 -1.12 -0.25 0.00 0.00 175.29 175.79 2k5r s SER 49 N 1.19 6.56 0.04 5.90 0.01 -1.26 -5.00 113.70 121.14 2k5r s SER 49 Ca 0.09 1.21 -0.30 0.00 1.31 0.00 0.00 55.95 58.25 2k5r s SER 49 Cb -0.14 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.51 2k5r s SER 49 CO 0.06 -1.17 1.07 -1.48 0.41 0.00 0.00 173.24 172.13 2k5r s LEU 50 N 4.70 4.39 -0.01 2.44 0.05 -1.26 -4.95 118.68 124.04 2k5r s LEU 50 Ca 0.60 1.84 0.12 0.00 0.05 0.00 0.00 54.13 56.73 2k5r s LEU 50 Cb -0.17 -3.58 -0.22 0.00 -2.05 0.00 0.00 46.19 40.17 2k5r s LEU 50 CO 0.26 -0.33 0.78 0.45 -0.55 0.00 0.00 176.35 176.96 2k5r h HIS 51 N 6.59 0.00 -3.90 3.48 3.86 -1.95 -3.46 115.15 119.78 2k5r h HIS 51 Ca -0.42 0.00 -0.41 0.00 -1.16 0.00 0.00 60.37 58.38 2k5r h HIS 51 Cb 1.22 0.00 -0.21 0.00 1.06 0.00 0.00 27.41 29.48 2k5r h HIS 51 CO 0.67 0.98 -0.78 -1.21 0.86 0.00 0.00 177.93 178.45 2k5r s GLU 52 N -2.63 0.85 0.27 2.45 8.01 -1.26 -5.11 118.70 121.28 2k5r s GLU 52 Ca -0.04 -1.00 -0.18 0.00 0.01 0.00 0.00 54.97 53.76 2k5r s GLU 52 Cb 0.08 -0.84 0.01 0.00 -4.31 0.00 0.00 34.13 29.07 2k5r s GLU 52 CO 0.82 0.18 0.63 0.00 0.01 0.00 0.00 175.26 176.91 2k5r s ALA 53 N -1.41 -0.88 -0.14 5.21 0.00 -1.26 -1.73 121.76 121.55 2k5r s ALA 53 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2k5r s ALA 53 Cb -0.09 0.93 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 2k5r s ALA 53 CO 0.02 -0.97 -0.14 -0.51 0.00 0.00 0.00 175.76 174.16 2k5r s LEU 54 N -2.95 2.57 -0.16 0.00 1.43 0.79 -0.96 118.68 119.41 2k5r s LEU 54 Ca 0.15 -0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 52.76 2k5r s LEU 54 Cb -0.04 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 2k5r s LEU 54 CO 0.07 0.12 0.10 -0.51 0.23 0.00 0.00 176.35 176.36 2k5r s ILE 55 N 0.63 5.16 0.41 -0.59 1.10 0.13 -0.68 121.20 127.36 2k5r s ILE 55 Ca -0.08 0.09 -0.24 0.00 -0.51 0.00 0.00 60.65 59.91 2k5r s ILE 55 Cb -0.16 -3.29 -0.08 0.00 0.15 0.00 0.00 42.46 39.08 2k5r s ILE 55 CO 0.03 0.53 1.11 0.42 -2.11 0.00 0.00 174.94 174.91 2k5r s THR 56 N -0.25 3.41 0.46 4.00 -4.23 -0.74 -1.66 115.64 116.63 2k5r s THR 56 Ca 0.10 1.11 0.13 0.00 -1.18 0.00 0.00 61.69 61.84 2k5r s THR 56 Cb -0.12 -3.58 0.29 0.00 1.34 0.00 0.00 72.50 70.43 2k5r s THR 56 CO 0.01 0.03 2.07 -0.09 -0.54 0.00 0.00 174.62 176.10 2k5r h ARG 57 N 2.44 0.28 -0.10 3.99 9.65 -1.85 0.11 114.38 128.90 2k5r h ARG 57 Ca -0.49 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 2k5r h ARG 57 Cb 1.23 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 2k5r h ARG 57 CO 0.62 0.18 0.00 -3.47 2.80 0.00 0.00 179.97 180.10 2k5r n ASP 58 N -4.49 1.09 -1.38 -3.80 2.03 -1.26 -4.91 116.55 103.83 2k5r n ASP 58 Ca 0.03 -1.58 -0.17 0.00 0.52 0.00 0.00 54.79 53.59 2k5r n ASP 58 Cb 0.17 -0.06 -0.06 0.00 -0.72 0.00 0.00 41.12 40.45 2k5r n ASP 58 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2k5r n ARG 59 N -0.07 -1.19 -0.02 -0.67 3.00 0.38 -4.93 116.66 113.16 2k5r n ARG 59 Ca 0.16 1.05 -0.00 0.00 -0.01 0.00 0.00 57.85 59.04 2k5r n ARG 59 Cb 0.24 -5.29 -0.00 0.00 0.00 0.00 0.00 32.46 27.41 2k5r n ARG 59 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2k5r h LYS 60 N 0.00 -0.03 -6.26 5.56 1.57 -1.91 -3.43 116.57 112.07 2k5r h LYS 60 Ca -0.35 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.86 2k5r h LYS 60 Cb 1.13 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 33.34 2k5r h LYS 60 CO 0.50 -0.02 -0.66 -0.65 -0.57 0.00 0.00 179.45 178.05 2k5r s GLN 61 N -1.52 2.29 -0.07 3.15 -0.21 -1.26 -0.58 119.66 121.45 2k5r s GLN 61 Ca -0.00 -1.34 0.00 0.00 0.02 0.00 0.00 55.36 54.03 2k5r s GLN 61 Cb 0.00 -2.20 0.02 0.00 1.00 0.00 0.00 33.01 31.84 2k5r s GLN 61 CO 0.01 0.39 -0.05 0.08 -2.12 0.00 0.00 175.29 173.60 2k5r s VAL 62 N -2.14 0.71 0.06 1.09 1.01 0.11 -1.80 120.40 119.43 2k5r s VAL 62 Ca 0.30 -0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.05 2k5r s VAL 62 Cb -0.07 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 2k5r s VAL 62 CO 0.19 0.29 0.33 -0.36 0.00 0.00 0.00 175.10 175.55 2k5r s PHE 63 N 1.34 3.56 -0.01 5.22 0.40 0.14 -0.72 117.98 127.91 2k5r s PHE 63 Ca -0.04 0.64 -0.24 0.00 -0.60 0.00 0.00 56.93 56.69 2k5r s PHE 63 Cb -0.14 -2.05 -0.05 0.00 0.51 0.00 0.00 43.02 41.30 2k5r s PHE 63 CO -0.03 0.55 0.75 0.50 0.70 0.00 0.00 175.22 177.69 2k5r s ARG 64 N -1.97 4.46 -0.11 0.44 3.52 -1.03 -0.14 118.95 124.12 2k5r s ARG 64 Ca 0.32 1.00 -0.03 0.00 -0.13 0.00 0.00 55.73 56.88 2k5r s ARG 64 Cb -0.13 -3.40 -0.03 0.00 -1.56 0.00 0.00 34.95 29.82 2k5r s ARG 64 CO 0.18 0.17 0.02 0.42 -0.81 0.00 0.00 175.30 175.29 2k5r s ILE 65 N 0.37 4.46 0.02 4.11 1.01 -0.70 -3.83 121.20 126.63 2k5r s ILE 65 Ca 0.39 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.88 2k5r s ILE 65 Cb -0.19 -2.91 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 2k5r s ILE 65 CO 0.21 0.58 -0.08 -1.83 0.00 0.00 0.00 174.94 173.82 2k5r s GLU 66 N -0.60 0.55 -1.92 2.79 -1.05 -1.20 -4.27 118.70 112.99 2k5r s GLU 66 Ca 0.10 -0.49 0.00 0.00 -0.15 0.00 0.00 54.97 54.43 2k5r s GLU 66 Cb -0.12 -0.45 0.00 0.00 -0.44 0.00 0.00 34.13 33.12 2k5r s GLU 66 CO 0.02 0.11 0.00 -3.47 0.95 0.00 0.00 175.26 172.87 2k5r n ASP 67 N 2.23 -5.63 -0.55 0.83 2.03 -1.26 -1.01 116.55 113.19 2k5r n ASP 67 Ca -0.17 0.22 -0.07 0.00 0.52 0.00 0.00 54.79 55.28 2k5r n ASP 67 Cb 0.56 -4.77 -0.03 0.00 -0.72 0.00 0.00 41.12 36.16 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 -1.61 -5.02 -4.58 1.67 2.88 -1.26 -4.99 113.62 100.71 2k5r n SER 68 Ca -0.22 0.18 -0.39 0.00 -1.33 0.00 0.00 58.87 57.10 2k5r n SER 68 Cb 0.68 -3.15 -0.10 0.00 -0.75 0.00 0.00 64.21 60.89 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 -1.88 5.24 -0.59 2.46 -1.09 -0.18 -5.03 121.20 120.13 2k5r s ILE 69 Ca 0.00 0.23 -0.26 0.00 -2.23 0.00 0.00 60.65 58.39 2k5r s ILE 69 Cb 0.00 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 2k5r s ILE 69 CO 0.00 0.13 1.95 -2.16 -1.23 0.00 0.00 174.94 173.62 2k5r s PRO 70 N 1.90 2.55 -0.47 2.79 0.04 -1.26 -3.21 135.00 137.34 2k5r s PRO 70 Ca 0.10 0.74 -0.26 0.00 0.04 0.00 0.00 61.00 61.62 2k5r s PRO 70 Cb -0.16 -4.42 0.03 0.00 0.04 0.00 0.00 34.50 29.99 2k5r s PRO 70 CO 0.11 -2.81 0.98 0.08 0.04 0.00 0.00 177.00 175.39 2k5r s VAL 71 N 9.55 4.40 -0.50 -0.36 1.01 -1.25 -4.90 120.40 128.36 2k5r s VAL 71 Ca 0.72 0.82 0.11 0.00 0.00 0.00 0.00 61.98 63.63 2k5r s VAL 71 Cb -0.13 -4.48 0.62 0.00 0.00 0.00 0.00 36.38 32.38 2k5r s VAL 71 CO 0.22 -0.90 1.45 0.18 0.00 0.00 0.00 175.10 176.04 2k5r n LEU 72 N 7.36 4.54 -4.77 3.92 4.77 -1.26 -4.51 117.00 127.05 2k5r n LEU 72 Ca 0.07 -2.30 -0.38 0.00 -0.03 0.00 0.00 56.01 53.37 2k5r n LEU 72 Cb 0.49 -0.63 -0.06 0.00 -2.33 0.00 0.00 43.42 40.89 2k5r n LEU 72 CO 0.66 0.55 0.67 -0.76 -1.33 0.00 0.00 177.39 177.18 2k5r s LEU 73 N -2.05 4.41 0.29 2.23 1.43 -1.26 -4.97 118.68 118.76 2k5r s LEU 73 Ca 0.41 1.93 0.02 0.00 -1.03 0.00 0.00 54.13 55.46 2k5r s LEU 73 Cb 0.31 -3.91 0.58 0.00 0.03 0.00 0.00 46.19 43.21 2k5r s LEU 73 CO 0.13 -0.08 1.85 1.55 0.23 0.00 0.00 176.35 180.03 2k5r h PRO 74 N 3.38 0.94 -0.16 1.29 0.13 -2.01 -1.92 132.00 133.64 2k5r h PRO 74 Ca -0.47 -0.06 0.05 0.00 -0.87 0.00 0.00 66.00 64.66 2k5r h PRO 74 Cb 1.20 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 2k5r h PRO 74 CO 0.65 0.62 0.13 1.05 -0.23 0.00 0.00 178.00 180.23 2k5r h GLU 75 N 0.97 0.00 -0.15 0.86 9.09 -1.93 -2.37 114.58 121.05 2k5r h GLU 75 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.89 2k5r h GLU 75 Cb 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.58 2k5r h GLU 75 CO -0.24 0.00 0.00 0.39 0.05 0.00 0.00 179.01 179.21 2k5r n GLU 76 N -4.31 1.15 -2.88 1.06 -0.58 -0.72 -1.94 120.64 112.42 2k5r n GLU 76 Ca 0.01 -0.20 -0.43 0.00 -0.42 0.00 0.00 57.16 56.12 2k5r n GLU 76 Cb 0.26 -1.10 -0.04 0.00 -0.57 0.00 0.00 31.44 29.98 2k5r n GLU 76 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k5r s ALA 77 N -1.84 3.21 -0.21 0.62 0.00 -0.89 -2.46 121.76 120.19 2k5r s ALA 77 Ca 0.04 -1.12 -0.07 0.00 0.00 0.00 0.00 51.96 50.81 2k5r s ALA 77 Cb 0.02 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 2k5r s ALA 77 CO 0.02 -2.20 0.06 0.42 0.00 0.00 0.00 175.76 174.06 2k5r s ILE 78 N 3.70 4.54 -0.03 0.00 1.09 0.10 -2.44 121.20 128.16 2k5r s ILE 78 Ca 0.31 -0.11 -0.28 0.00 -1.10 0.00 0.00 60.65 59.47 2k5r s ILE 78 Cb -0.12 -3.07 -0.03 0.00 -1.06 0.00 0.00 42.46 38.17 2k5r s ILE 78 CO 0.21 0.41 0.91 0.00 -0.10 0.00 0.00 174.94 176.37 2k5r s ALA 79 N 0.90 3.24 0.40 9.38 0.00 -1.26 0.03 121.76 134.45 2k5r s ALA 79 Ca 0.03 0.41 0.09 0.00 0.00 0.00 0.00 51.96 52.49 2k5r s ALA 79 Cb -0.14 -3.25 0.83 0.00 0.00 0.00 0.00 23.12 20.55 2k5r s ALA 79 CO 0.03 -0.25 1.97 1.79 0.00 0.00 0.00 175.76 179.30 2k5r h THR 80 N 4.83 1.14 0.00 0.00 1.35 -1.11 -1.77 112.91 117.35 2k5r h THR 80 Ca -0.40 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 2k5r h THR 80 Cb 1.20 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2k5r h THR 80 CO 0.76 0.18 0.00 -0.29 -0.25 0.00 0.00 175.52 175.93 2k5r h ILE 81 N 0.34 0.00 0.00 6.82 6.09 -1.89 -0.19 117.51 128.69 2k5r h ILE 81 Ca 0.08 -0.03 -0.10 0.00 -1.37 0.00 0.00 64.86 63.44 2k5r h ILE 81 Cb 0.20 0.79 -0.02 0.00 0.47 0.00 0.00 36.82 38.27 2k5r h ILE 81 CO 0.00 0.00 -0.64 -0.61 -3.07 0.00 0.00 178.15 173.83 2k5r h GLN 82 N 0.00 0.00 -6.38 2.19 4.15 -1.70 -3.45 115.11 109.93 2k5r h GLN 82 Ca 0.00 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 58.87 2k5r h GLN 82 Cb 0.04 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.68 2k5r h GLN 82 CO 0.00 0.39 1.14 0.42 -1.93 0.00 0.00 178.83 178.85 2k5r s ILE 83 N -3.00 3.74 0.24 2.39 -1.09 -0.08 -4.90 121.20 118.49 2k5r s ILE 83 Ca 0.03 0.66 -0.06 0.00 -2.23 0.00 0.00 60.65 59.05 2k5r s ILE 83 Cb 0.08 -4.24 0.20 0.00 -1.58 0.00 0.00 42.46 36.91 2k5r s ILE 83 CO 0.75 -0.96 1.81 0.00 -1.23 0.00 0.00 174.94 175.32 2k5r h ALA 84 N 11.59 1.11 -0.39 9.38 0.00 -1.87 -2.55 119.26 136.53 2k5r h ALA 84 Ca -0.28 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2k5r h ALA 84 Cb 1.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2k5r h ALA 84 CO 1.14 0.11 0.00 0.27 0.00 0.00 0.00 179.25 180.77 2k5r n ASN 85 N -4.74 3.28 -4.69 0.00 0.23 -1.26 -4.93 115.26 103.15 2k5r n ASN 85 Ca 0.12 -2.34 -0.42 0.00 -0.53 0.00 0.00 54.58 51.41 2k5r n ASN 85 Cb 0.24 -0.49 -0.03 0.00 -2.08 0.00 0.00 39.78 37.42 2k5r n ASN 85 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 2k5r s PHE 86 N -1.80 2.84 1.10 -2.53 5.36 -0.96 -5.00 117.98 116.99 2k5r s PHE 86 Ca 0.32 0.77 -0.12 0.00 -0.96 0.00 0.00 56.93 56.93 2k5r s PHE 86 Cb 0.21 -3.71 0.25 0.00 -0.34 0.00 0.00 43.02 39.44 2k5r s PHE 86 CO 0.14 -2.63 1.05 -2.14 -1.46 0.00 0.00 175.22 170.18 2k5r s PRO 87 N 2.26 -0.44 0.51 10.12 0.02 -1.26 -4.98 135.00 141.23 2k5r s PRO 87 Ca 0.65 0.91 -0.22 0.00 0.02 0.00 0.00 61.00 62.36 2k5r s PRO 87 Cb -0.33 -1.60 -0.06 0.00 0.02 0.00 0.00 34.50 32.52 2k5r s PRO 87 CO 0.28 -3.42 1.25 -0.51 -0.33 0.00 0.00 177.00 174.26 2k5r s ASP 88 N -2.67 5.71 -0.25 2.53 1.11 -1.26 -4.92 116.67 116.92 2k5r s ASP 88 Ca 0.68 2.50 0.01 0.00 0.18 0.00 0.00 52.55 55.91 2k5r s ASP 88 Cb -0.24 -2.62 0.28 0.00 1.07 0.00 0.00 42.92 41.42 2k5r s ASP 88 CO 0.63 -1.25 1.65 0.29 1.18 0.00 0.00 175.17 177.67 2k5r n LYS 89 N -0.82 1.67 -2.69 8.23 4.01 -1.26 -4.84 118.16 122.46 2k5r n LYS 89 Ca 0.09 -1.47 -0.42 0.00 -0.51 0.00 0.00 58.31 56.00 2k5r n LYS 89 Cb 0.47 -1.58 -0.03 0.00 -0.51 0.00 0.00 35.03 33.39 2k5r n LYS 89 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2k5r s LEU 90 N -1.65 4.03 -0.92 -0.35 1.43 -1.26 -4.95 118.68 115.01 2k5r s LEU 90 Ca 0.28 -1.64 -0.16 0.00 -1.03 0.00 0.00 54.13 51.58 2k5r s LEU 90 Cb 0.23 -2.51 0.18 0.00 0.03 0.00 0.00 46.19 44.12 2k5r s LEU 90 CO 0.03 -1.36 1.01 -1.61 0.23 0.00 0.00 176.35 174.65 2k5r s GLU 91 N 4.20 3.68 -1.10 1.70 2.02 -1.26 -4.98 118.70 122.96 2k5r s GLU 91 Ca 0.41 -2.18 -0.23 0.00 0.02 0.00 0.00 54.97 52.99 2k5r s GLU 91 Cb -0.02 -4.72 -0.06 0.00 0.10 0.00 0.00 34.13 29.43 2k5r s GLU 91 CO -0.10 -1.56 1.90 -1.58 0.02 0.00 0.00 175.26 173.95 2k5r s HIS 92 N 1.39 2.00 -0.10 1.61 5.65 -1.26 -4.73 115.29 119.85 2k5r s HIS 92 Ca 0.28 0.29 -0.05 0.00 0.25 0.00 0.00 55.06 55.82 2k5r s HIS 92 Cb -0.07 -4.11 -0.02 0.00 -1.18 0.00 0.00 32.58 27.21 2k5r s HIS 92 CO -0.08 -1.45 -0.11 0.45 -0.65 0.00 0.00 174.74 172.90 2k5r h HIS 93 N 10.04 0.00 -3.80 3.88 3.86 -2.03 -3.49 115.15 123.61 2k5r h HIS 93 Ca 0.20 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.11 2k5r h HIS 93 Cb 0.96 0.00 -0.29 0.00 1.06 0.00 0.00 27.41 29.14 2k5r h HIS 93 CO 1.23 0.00 -0.74 -3.38 0.86 0.00 0.00 177.93 175.90 2k5r s HIS 94 N -1.85 0.32 -0.30 2.45 -3.43 -1.26 -5.13 115.29 106.09 2k5r s HIS 94 Ca -0.09 -0.05 -0.12 0.00 -0.80 0.00 0.00 55.06 54.00 2k5r s HIS 94 Cb 0.01 -0.23 0.15 0.00 -1.43 0.00 0.00 32.58 31.09 2k5r s HIS 94 CO 0.13 -0.02 0.83 -1.58 -2.00 0.00 0.00 174.74 172.10 2k5r s HIS 95 N 0.05 -1.01 0.45 0.38 5.04 -1.26 -5.16 115.29 113.78 2k5r s HIS 95 Ca -0.00 1.65 -0.25 0.00 -1.54 0.00 0.00 55.06 54.92 2k5r s HIS 95 Cb -0.03 0.57 -0.08 0.00 0.04 0.00 0.00 32.58 33.08 2k5r s HIS 95 CO -0.00 -0.51 1.39 0.72 -2.34 0.00 0.00 174.74 173.99 2k5r n HIS 96 N 5.23 2.52 -1.84 3.88 8.25 -1.26 -5.29 115.22 126.71 2k5r n HIS 96 Ca -0.09 0.45 0.00 0.00 -0.26 0.00 0.00 57.72 57.82 2k5r n HIS 96 Cb 0.51 -2.43 0.00 0.00 1.12 0.00 0.00 29.99 29.19 2k5r n HIS 96 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59