#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 6.19 0.35 6.12 1.01 -1.26 -4.81 116.67 124.27 2k5r s ASP 2 Ca 0.00 -1.82 0.02 0.00 0.71 0.00 0.00 52.55 51.46 2k5r s ASP 2 Cb 0.00 -2.58 0.63 0.00 1.01 0.00 0.00 42.92 41.98 2k5r s ASP 2 CO 0.00 -1.83 2.01 0.08 0.21 0.00 0.00 175.17 175.64 2k5r h ARG 3 N 9.02 0.85 -0.59 8.23 0.11 -2.05 0.44 114.38 130.39 2k5r h ARG 3 Ca 0.30 -0.05 0.03 0.00 0.10 0.00 0.00 59.98 60.36 2k5r h ARG 3 Cb 0.94 -0.19 -0.03 0.00 1.11 0.00 0.00 29.97 31.79 2k5r h ARG 3 CO 1.38 0.56 0.39 0.87 0.10 0.00 0.00 179.97 183.27 2k5r h LYS 4 N 0.87 0.67 0.16 0.08 1.57 -1.99 -0.11 116.57 117.81 2k5r h LYS 4 Ca 0.23 -0.04 -0.32 0.00 -1.87 0.00 0.00 60.65 58.65 2k5r h LYS 4 Cb -0.10 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.07 2k5r h LYS 4 CO -0.05 0.44 -1.58 -0.07 -0.57 0.00 0.00 179.45 177.62 2k5r h LEU 5 N 0.69 0.52 -0.48 2.94 -0.00 -1.72 -3.34 115.31 113.90 2k5r h LEU 5 Ca 0.24 -0.70 0.01 0.00 -0.00 0.00 0.00 57.88 57.43 2k5r h LEU 5 Cb 0.10 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 40.56 2k5r h LEU 5 CO -0.06 1.58 0.32 -0.07 -0.00 0.00 0.00 178.44 180.20 2k5r h LEU 6 N 0.09 0.54 0.00 1.67 3.38 -0.44 -1.89 115.31 118.66 2k5r h LEU 6 Ca -0.27 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2k5r h LEU 6 Cb 2.06 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.68 2k5r h LEU 6 CO 0.18 0.39 0.00 1.41 0.09 0.00 0.00 178.44 180.51 2k5r n HIS 7 N -4.76 0.00 0.93 1.13 8.25 -0.10 -1.12 115.22 119.55 2k5r n HIS 7 Ca 0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.60 2k5r n HIS 7 Cb 0.03 -0.07 0.23 0.00 1.12 0.00 0.00 29.99 31.29 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 -1.07 0.53 -3.91 2.41 4.77 -0.71 -4.73 117.00 114.28 2k5r n LEU 8 Ca 0.14 0.02 -0.30 0.00 -0.03 0.00 0.00 56.01 55.83 2k5r n LEU 8 Cb 0.09 -0.23 -0.15 0.00 -2.33 0.00 0.00 43.42 40.80 2k5r n LEU 8 CO 0.12 0.10 -0.39 -0.22 -1.33 0.00 0.00 177.39 175.67 2k5r s LEU 9 N -3.18 2.73 -0.02 2.23 0.20 -0.28 -5.13 118.68 115.24 2k5r s LEU 9 Ca 0.10 -1.36 -0.01 0.00 0.69 0.00 0.00 54.13 53.56 2k5r s LEU 9 Cb 0.17 -1.16 -0.04 0.00 -0.43 0.00 0.00 46.19 44.73 2k5r s LEU 9 CO 0.71 -0.29 0.07 0.00 -0.29 0.00 0.00 176.35 176.55 2k5r s SER 11 N -1.61 2.28 0.85 0.00 1.04 -1.26 -5.15 113.70 109.85 2k5r s SER 11 Ca 0.21 -0.40 -0.11 0.00 0.48 0.00 0.00 55.95 56.13 2k5r s SER 11 Cb -0.12 -0.23 0.11 0.00 0.10 0.00 0.00 66.02 65.88 2k5r s SER 11 CO 0.12 0.21 1.15 -2.16 0.98 0.00 0.00 173.24 173.53 2k5r s PRO 12 N -0.68 1.50 0.27 4.02 0.04 -1.26 -4.87 135.00 134.02 2k5r s PRO 12 Ca 0.07 1.52 0.17 0.00 0.04 0.00 0.00 61.00 62.80 2k5r s PRO 12 Cb -0.08 -1.78 0.95 0.00 0.04 0.00 0.00 34.50 33.63 2k5r s PRO 12 CO 0.00 -2.27 1.52 -0.25 0.04 0.00 0.00 177.00 176.04 2k5r n ASP 13 N -3.78 0.45 0.22 6.66 9.92 -1.26 -1.17 116.55 127.60 2k5r n ASP 13 Ca 0.12 0.70 0.11 0.00 -0.53 0.00 0.00 54.79 55.18 2k5r n ASP 13 Cb 0.52 -0.75 0.39 0.00 -0.64 0.00 0.00 41.12 40.64 2k5r n ASP 13 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 2k5r h THR 14 N 0.00 0.40 -2.89 -3.53 1.35 -2.01 -3.41 112.91 102.83 2k5r h THR 14 Ca 0.00 -1.15 -0.57 0.00 -0.55 0.00 0.00 66.41 64.14 2k5r h THR 14 Cb 0.08 1.86 -0.40 0.00 -1.73 0.00 0.00 68.15 67.95 2k5r h THR 14 CO 0.00 0.18 -0.78 0.00 -0.25 0.00 0.00 175.52 174.67 2k5r s ARG 15 N -3.48 0.57 0.07 4.72 1.70 -0.32 -5.12 118.95 117.08 2k5r s ARG 15 Ca 0.02 -1.05 0.00 0.00 -0.47 0.00 0.00 55.73 54.24 2k5r s ARG 15 Cb 0.09 -1.60 -0.04 0.00 -0.57 0.00 0.00 34.95 32.83 2k5r s ARG 15 CO 0.64 -1.07 -0.05 -0.65 -1.08 0.00 0.00 175.30 173.10 2k5r s GLN 16 N 1.52 0.67 0.58 3.89 -0.21 -1.26 -4.55 119.66 120.29 2k5r s GLN 16 Ca 0.12 -1.19 0.34 0.00 0.02 0.00 0.00 55.36 54.66 2k5r s GLN 16 Cb -0.19 0.01 1.76 0.00 1.00 0.00 0.00 33.01 35.60 2k5r s GLN 16 CO -0.21 -0.06 2.16 -1.00 -2.12 0.00 0.00 175.29 174.06 2k5r h PRO 17 N 3.28 0.00 -6.52 2.91 0.13 -1.99 -3.43 132.00 126.37 2k5r h PRO 17 Ca -0.34 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.14 2k5r h PRO 17 Cb 1.16 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.12 2k5r h PRO 17 CO 0.62 0.05 -0.79 -0.51 -0.23 0.00 0.00 178.00 177.14 2k5r s LEU 18 N -6.77 2.61 0.40 1.56 1.43 -1.26 -4.32 118.68 112.32 2k5r s LEU 18 Ca -0.03 -0.80 0.08 0.00 -1.03 0.00 0.00 54.13 52.35 2k5r s LEU 18 Cb 0.12 -1.31 -0.06 0.00 0.03 0.00 0.00 46.19 44.98 2k5r s LEU 18 CO 0.52 0.11 0.09 -0.44 0.23 0.00 0.00 176.35 176.86 2k5r s SER 19 N -2.81 4.20 0.00 2.29 0.01 -0.41 -4.95 113.70 112.02 2k5r s SER 19 Ca 0.23 -1.16 -0.30 0.00 1.31 0.00 0.00 55.95 56.03 2k5r s SER 19 Cb -0.08 -0.46 -0.04 0.00 0.21 0.00 0.00 66.02 65.65 2k5r s SER 19 CO 0.12 -0.45 1.12 -0.22 0.41 0.00 0.00 173.24 174.22 2k5r s LEU 20 N -3.80 4.34 -0.25 2.44 1.98 -1.26 -0.43 118.68 121.69 2k5r s LEU 20 Ca 0.38 1.82 -0.28 0.00 -2.89 0.00 0.00 54.13 53.16 2k5r s LEU 20 Cb 0.05 -3.57 -0.04 0.00 0.66 0.00 0.00 46.19 43.29 2k5r s LEU 20 CO 0.20 -0.44 2.07 -0.22 -1.89 0.00 0.00 176.35 176.08 2k5r s LEU 21 N 1.41 3.49 0.17 -0.68 2.96 -0.31 -4.67 118.68 121.06 2k5r s LEU 21 Ca 0.55 1.73 -0.34 0.00 -0.22 0.00 0.00 54.13 55.85 2k5r s LEU 21 Cb -0.25 -3.52 -0.14 0.00 0.50 0.00 0.00 46.19 42.78 2k5r s LEU 21 CO 0.26 -1.85 1.47 1.21 -1.32 0.00 0.00 176.35 176.13 2k5r n GLU 22 N 8.60 1.91 -0.35 1.98 2.13 -1.26 -4.70 120.64 128.95 2k5r n GLU 22 Ca 0.27 0.69 0.12 0.00 0.66 0.00 0.00 57.16 58.90 2k5r n GLU 22 Cb 0.45 -2.39 0.31 0.00 0.27 0.00 0.00 31.44 30.09 2k5r n GLU 22 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2k5r h SER 23 N 5.10 0.80 -0.99 4.31 0.87 -1.98 0.26 113.55 121.92 2k5r h SER 23 Ca -0.45 0.08 0.07 0.00 -1.23 0.00 0.00 61.79 60.26 2k5r h SER 23 Cb 1.28 -0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 63.11 2k5r h SER 23 CO 0.82 0.32 0.64 0.50 -0.53 0.00 0.00 176.83 178.58 2k5r h LYS 24 N 0.80 1.12 0.03 2.24 1.63 -2.02 -0.95 116.57 119.42 2k5r h LYS 24 Ca 0.56 -0.07 -0.23 0.00 -0.85 0.00 0.00 60.65 60.06 2k5r h LYS 24 Cb 0.83 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 2k5r h LYS 24 CO -0.35 0.74 -0.99 0.78 -3.45 0.00 0.00 179.45 176.18 2k5r h GLY 25 N 1.16 0.38 0.44 5.01 0.00 -1.32 -3.36 103.07 105.38 2k5r h GLY 25 Ca 0.43 -0.72 0.14 0.00 0.00 0.00 0.00 47.33 47.17 2k5r h GLY 25 CO -0.17 0.63 0.62 -2.00 0.00 0.00 0.00 176.54 175.62 2k5r h LEU 26 N 0.17 0.84 -1.51 3.11 5.85 0.77 -0.60 115.31 123.95 2k5r h LEU 26 Ca -0.08 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.73 2k5r h LEU 26 Cb 1.65 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.53 2k5r h LEU 26 CO 0.17 0.43 0.38 1.05 -0.34 0.00 0.00 178.44 180.12 2k5r h GLU 27 N 0.89 0.62 -0.85 1.25 4.11 -1.58 -1.50 114.58 117.52 2k5r h GLU 27 Ca 0.50 -0.04 0.03 0.00 0.07 0.00 0.00 59.36 59.92 2k5r h GLU 27 Cb 0.60 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 2k5r h GLU 27 CO -0.27 0.41 0.55 0.00 0.07 0.00 0.00 179.01 179.77 2k5r h ALA 28 N 1.67 1.12 0.33 1.06 0.00 -1.31 0.16 119.26 122.29 2k5r h ALA 28 Ca 0.23 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2k5r h ALA 28 Cb 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2k5r h ALA 28 CO -0.06 0.40 -0.16 -0.07 0.00 0.00 0.00 179.25 179.36 2k5r h LEU 29 N 1.08 -0.37 -0.12 0.00 -0.00 -1.31 -2.18 115.31 112.40 2k5r h LEU 29 Ca 0.34 -0.05 0.01 0.00 -0.00 0.00 0.00 57.88 58.18 2k5r h LEU 29 Cb -0.01 0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.73 2k5r h LEU 29 CO -0.11 -0.19 0.05 0.78 -0.00 0.00 0.00 178.44 178.98 2k5r h ASN 30 N -0.53 0.07 -0.87 -0.43 2.35 -1.06 0.87 115.58 115.98 2k5r h ASN 30 Ca -0.04 0.01 0.08 0.00 -0.55 0.00 0.00 56.30 55.79 2k5r h ASN 30 Cb 0.40 -0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.70 2k5r h ASN 30 CO 0.07 0.06 0.53 0.11 -1.65 0.00 0.00 177.43 176.55 2k5r h LYS 31 N 0.12 0.90 -0.21 0.81 1.57 -0.72 0.90 116.57 119.94 2k5r h LYS 31 Ca 0.05 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 2k5r h LYS 31 Cb 0.02 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 2k5r h LYS 31 CO -0.04 0.60 -0.41 0.00 -0.57 0.00 0.00 179.45 179.03 2k5r h ALA 32 N 1.43 0.90 -0.21 3.86 0.00 -0.97 -2.04 119.26 122.23 2k5r h ALA 32 Ca 0.39 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2k5r h ALA 32 Cb 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2k5r h ALA 32 CO -0.20 0.64 0.07 0.82 0.00 0.00 0.00 179.25 180.57 2k5r h ILE 33 N 0.41 1.19 -0.46 0.00 2.04 0.26 0.19 117.51 121.14 2k5r h ILE 33 Ca 0.03 -0.59 0.03 0.00 1.00 0.00 0.00 64.86 65.33 2k5r h ILE 33 Cb 0.89 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 2k5r h ILE 33 CO 0.08 0.19 0.31 0.58 0.00 0.00 0.00 178.15 179.30 2k5r h VAL 34 N 0.18 1.06 0.00 1.67 2.07 -0.80 -0.28 116.25 120.15 2k5r h VAL 34 Ca 0.07 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.32 2k5r h VAL 34 Cb 0.23 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2k5r h VAL 34 CO -0.00 0.10 -0.43 -1.28 0.02 0.00 0.00 177.57 175.98 2k5r h SER 35 N 0.53 0.00 -0.32 0.57 0.87 -1.00 -3.48 113.55 110.71 2k5r h SER 35 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2k5r h SER 35 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2k5r h SER 35 CO -0.04 0.43 0.00 0.61 -0.53 0.00 0.00 176.83 177.29 2k5r n GLY 36 N 0.73 0.68 0.56 5.77 0.00 0.61 -4.97 105.19 108.56 2k5r n GLY 36 Ca 0.01 -0.74 0.05 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.20 0.86 -3.31 2.61 5.66 -0.82 -4.95 114.28 111.12 2k5r n THR 37 Ca 0.00 -0.93 -0.41 0.00 -3.05 0.00 0.00 64.05 59.66 2k5r n THR 37 Cb 0.45 0.60 -0.08 0.00 -1.55 0.00 0.00 70.33 69.75 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 -0.98 5.09 -0.14 1.08 1.01 -1.26 -4.60 120.40 120.60 2k5r s VAL 38 Ca 0.20 0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.49 2k5r s VAL 38 Cb 0.11 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2k5r s VAL 38 CO 0.14 -0.09 -0.05 -1.10 0.00 0.00 0.00 175.10 174.00 2k5r s GLN 39 N 2.22 3.48 0.65 2.72 -0.21 -1.26 -0.40 119.66 126.86 2k5r s GLN 39 Ca 0.16 -0.54 -0.06 0.00 0.02 0.00 0.00 55.36 54.94 2k5r s GLN 39 Cb -0.16 -2.83 0.03 0.00 1.00 0.00 0.00 33.01 31.05 2k5r s GLN 39 CO 0.12 0.32 0.96 -0.98 -2.12 0.00 0.00 175.29 173.59 2k5r s ARG 40 N 0.14 2.56 0.28 2.91 1.70 -0.33 -4.35 118.95 121.87 2k5r s ARG 40 Ca -0.02 -0.13 0.02 0.00 -0.47 0.00 0.00 55.73 55.14 2k5r s ARG 40 Cb -0.14 -2.22 0.66 0.00 -0.57 0.00 0.00 34.95 32.68 2k5r s ARG 40 CO 0.03 -0.97 1.74 0.00 -1.08 0.00 0.00 175.30 175.02 2k5r h ALA 41 N -0.39 1.43 -0.31 7.88 0.00 -1.44 0.16 119.26 126.58 2k5r h ALA 41 Ca -0.45 0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.67 2k5r h ALA 41 Cb 1.29 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2k5r h ALA 41 CO 0.60 -0.19 0.34 -0.44 0.00 0.00 0.00 179.25 179.57 2k5r h ASP 42 N 0.56 0.00 0.00 0.00 5.19 -1.89 -3.45 116.42 116.83 2k5r h ASP 42 Ca 0.53 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.94 2k5r h ASP 42 Cb 0.88 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.39 2k5r h ASP 42 CO -0.43 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.30 2k5r n GLY 43 N -1.46 1.10 3.93 2.75 0.00 0.55 -5.11 105.19 106.96 2k5r n GLY 43 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 6.18 0.34 1.61 0.01 -1.25 -4.88 113.70 113.71 2k5r s SER 44 Ca 0.00 0.06 -0.24 0.00 1.31 0.00 0.00 55.95 57.08 2k5r s SER 44 Cb 0.00 -1.80 -0.10 0.00 0.21 0.00 0.00 66.02 64.33 2k5r s SER 44 CO 0.00 -0.01 0.92 -0.63 0.41 0.00 0.00 173.24 173.94 2k5r s ILE 45 N -1.88 4.29 -0.51 1.44 -1.09 -1.26 -1.18 121.20 121.01 2k5r s ILE 45 Ca 0.34 1.69 -0.01 0.00 -2.23 0.00 0.00 60.65 60.43 2k5r s ILE 45 Cb -0.10 -3.90 0.13 0.00 -1.58 0.00 0.00 42.46 37.02 2k5r s ILE 45 CO 0.28 0.04 0.30 -1.58 -1.23 0.00 0.00 174.94 172.74 2k5r s GLN 46 N -2.32 2.18 -0.55 2.79 0.74 0.47 -4.88 119.66 118.09 2k5r s GLN 46 Ca 0.52 -2.23 0.01 0.00 0.05 0.00 0.00 55.36 53.71 2k5r s GLN 46 Cb -0.16 -3.58 0.46 0.00 1.10 0.00 0.00 33.01 30.83 2k5r s GLN 46 CO 0.21 -1.11 1.79 0.09 -0.55 0.00 0.00 175.29 175.72 2k5r n ASN 47 N 3.90 6.77 -3.87 6.67 3.02 -1.26 -4.63 115.26 125.86 2k5r n ASN 47 Ca 0.03 -3.78 -0.27 0.00 -0.03 0.00 0.00 54.58 50.54 2k5r n ASN 47 Cb 0.39 -0.79 -0.17 0.00 -0.61 0.00 0.00 39.78 38.60 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 -3.75 1.34 -0.34 3.52 -1.52 -1.26 -4.97 119.66 112.69 2k5r s GLN 48 Ca 0.61 -0.32 -0.29 0.00 -1.95 0.00 0.00 55.36 53.40 2k5r s GLN 48 Cb 0.48 -1.71 -0.00 0.00 -0.22 0.00 0.00 33.01 31.56 2k5r s GLN 48 CO 0.01 -0.36 1.51 -1.12 -0.25 0.00 0.00 175.29 175.08 2k5r s SER 49 N 1.72 6.32 0.57 5.90 0.01 -1.26 -5.01 113.70 121.95 2k5r s SER 49 Ca 0.03 1.15 0.03 0.00 1.31 0.00 0.00 55.95 58.47 2k5r s SER 49 Cb -0.14 -2.54 0.06 0.00 0.21 0.00 0.00 66.02 63.61 2k5r s SER 49 CO -0.08 -1.38 0.79 -1.48 0.41 0.00 0.00 173.24 171.50 2k5r s LEU 50 N 5.47 3.25 -0.02 2.44 0.05 -1.26 -5.06 118.68 123.55 2k5r s LEU 50 Ca 0.66 -0.26 0.01 0.00 0.05 0.00 0.00 54.13 54.60 2k5r s LEU 50 Cb -0.18 -2.50 -0.02 0.00 -2.05 0.00 0.00 46.19 41.44 2k5r s LEU 50 CO 0.30 -1.26 -0.00 1.41 -0.55 0.00 0.00 176.35 176.25 2k5r n HIS 51 N -2.35 0.00 -5.15 3.48 8.25 -1.26 -4.95 115.22 113.24 2k5r n HIS 51 Ca 0.10 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.25 2k5r n HIS 51 Cb 0.60 -0.10 -0.15 0.00 1.12 0.00 0.00 29.99 31.46 2k5r n HIS 51 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2k5r s GLU 52 N -2.05 2.31 0.22 -0.41 2.02 -1.26 -5.09 118.70 114.43 2k5r s GLU 52 Ca -0.02 -0.84 -0.21 0.00 0.02 0.00 0.00 54.97 53.92 2k5r s GLU 52 Cb 0.01 -2.18 0.04 0.00 0.10 0.00 0.00 34.13 32.10 2k5r s GLU 52 CO 0.07 0.56 0.64 0.00 0.02 0.00 0.00 175.26 176.55 2k5r s ALA 53 N -0.60 -1.32 0.04 5.21 0.00 -1.26 -3.78 121.76 120.05 2k5r s ALA 53 Ca 0.09 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.10 2k5r s ALA 53 Cb -0.11 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 2k5r s ALA 53 CO 0.00 -0.89 0.03 -0.51 0.00 0.00 0.00 175.76 174.39 2k5r s LEU 54 N -2.84 3.60 -0.07 0.00 1.43 0.10 -1.16 118.68 119.73 2k5r s LEU 54 Ca 0.07 -0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 2k5r s LEU 54 Cb -0.03 -2.19 -0.00 0.00 0.03 0.00 0.00 46.19 44.00 2k5r s LEU 54 CO -0.03 0.23 -0.20 -0.51 0.23 0.00 0.00 176.35 176.07 2k5r s ILE 55 N -1.23 1.69 0.45 -0.59 1.10 0.43 -0.26 121.20 122.80 2k5r s ILE 55 Ca 0.24 -0.83 -0.25 0.00 -0.51 0.00 0.00 60.65 59.29 2k5r s ILE 55 Cb -0.12 -1.46 -0.08 0.00 0.15 0.00 0.00 42.46 40.95 2k5r s ILE 55 CO 0.15 0.48 1.44 0.42 -2.11 0.00 0.00 174.94 175.32 2k5r s THR 56 N 0.19 2.03 0.42 4.00 -4.23 -0.55 -1.29 115.64 116.21 2k5r s THR 56 Ca -0.10 0.02 0.14 0.00 -1.18 0.00 0.00 61.69 60.58 2k5r s THR 56 Cb -0.15 -3.01 0.34 0.00 1.34 0.00 0.00 72.50 71.02 2k5r s THR 56 CO 0.05 0.00 1.94 0.08 -0.54 0.00 0.00 174.62 176.15 2k5r h ARG 57 N 2.32 0.43 -0.00 3.99 0.11 -1.92 0.26 114.38 119.57 2k5r h ARG 57 Ca -0.51 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.54 2k5r h ARG 57 Cb 1.27 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.25 2k5r h ARG 57 CO 0.61 0.28 -0.03 -0.25 0.10 0.00 0.00 179.97 180.68 2k5r n ASP 58 N -4.48 0.15 -1.97 0.08 8.00 -1.26 -4.93 116.55 112.14 2k5r n ASP 58 Ca 0.13 -0.39 -0.15 0.00 0.71 0.00 0.00 54.79 55.08 2k5r n ASP 58 Cb 0.46 -0.18 0.01 0.00 -0.02 0.00 0.00 41.12 41.39 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 -1.14 -2.51 -0.05 -1.24 5.12 0.91 -4.91 116.66 112.84 2k5r n ARG 59 Ca 0.16 0.67 -0.04 0.00 -1.93 0.00 0.00 57.85 56.71 2k5r n ARG 59 Cb 0.24 -4.98 -0.08 0.00 -1.16 0.00 0.00 32.46 26.48 2k5r n ARG 59 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2k5r n LYS 60 N -2.79 2.25 -4.25 5.56 5.02 -1.26 -4.89 118.16 117.80 2k5r n LYS 60 Ca -0.12 -0.01 -0.21 0.00 -2.02 0.00 0.00 58.31 55.95 2k5r n LYS 60 Cb 0.61 -1.25 -0.12 0.00 -0.02 0.00 0.00 35.03 34.24 2k5r n LYS 60 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2k5r s GLN 61 N -2.27 0.97 -0.17 1.97 -0.21 -1.26 -2.04 119.66 116.65 2k5r s GLN 61 Ca -0.05 -1.02 0.01 0.00 0.02 0.00 0.00 55.36 54.31 2k5r s GLN 61 Cb 0.03 -1.09 0.03 0.00 1.00 0.00 0.00 33.01 32.98 2k5r s GLN 61 CO 0.40 0.25 -0.13 0.08 -2.12 0.00 0.00 175.29 173.78 2k5r s VAL 62 N -1.18 1.65 0.68 1.09 1.01 0.45 -1.48 120.40 122.62 2k5r s VAL 62 Ca 0.02 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.20 2k5r s VAL 62 Cb -0.10 -1.62 0.12 0.00 0.00 0.00 0.00 36.38 34.78 2k5r s VAL 62 CO 0.03 0.33 0.93 -0.36 0.00 0.00 0.00 175.10 176.03 2k5r s PHE 63 N 1.43 1.31 0.46 5.22 0.40 0.65 -0.91 117.98 126.53 2k5r s PHE 63 Ca 0.02 -0.52 0.06 0.00 -0.60 0.00 0.00 56.93 55.89 2k5r s PHE 63 Cb -0.14 -2.66 -0.02 0.00 0.51 0.00 0.00 43.02 40.71 2k5r s PHE 63 CO -0.10 -1.58 0.25 1.03 0.70 0.00 0.00 175.22 175.52 2k5r s ARG 64 N -4.98 2.26 -0.02 0.44 3.00 -1.24 -0.73 118.95 117.69 2k5r s ARG 64 Ca 0.66 -1.93 0.00 0.00 0.00 0.00 0.00 55.73 54.46 2k5r s ARG 64 Cb -0.05 -2.01 0.02 0.00 0.00 0.00 0.00 34.95 32.91 2k5r s ARG 64 CO 0.43 -0.30 0.00 0.42 0.00 0.00 0.00 175.30 175.85 2k5r s ILE 65 N -2.67 0.09 0.01 1.52 1.01 -1.25 -2.11 121.20 117.81 2k5r s ILE 65 Ca 0.36 0.06 0.01 0.00 0.00 0.00 0.00 60.65 61.08 2k5r s ILE 65 Cb 0.01 -0.16 -0.01 0.00 0.01 0.00 0.00 42.46 42.32 2k5r s ILE 65 CO 0.20 0.09 -0.03 -1.83 0.00 0.00 0.00 174.94 173.37 2k5r s GLU 66 N 0.61 0.27 -1.96 2.79 -1.05 -1.10 -4.80 118.70 113.46 2k5r s GLU 66 Ca -0.06 -0.32 0.00 0.00 -0.15 0.00 0.00 54.97 54.45 2k5r s GLU 66 Cb -0.08 -0.13 0.00 0.00 -0.44 0.00 0.00 34.13 33.48 2k5r s GLU 66 CO -0.01 0.02 0.00 -3.47 0.95 0.00 0.00 175.26 172.75 2k5r n ASP 67 N 2.43 -5.48 -0.49 0.83 2.03 -1.26 -0.60 116.55 114.01 2k5r n ASP 67 Ca -0.17 0.29 -0.06 0.00 0.52 0.00 0.00 54.79 55.36 2k5r n ASP 67 Cb 0.57 -4.73 -0.03 0.00 -0.72 0.00 0.00 41.12 36.22 2k5r n ASP 67 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2k5r n SER 68 N -1.59 -5.24 -4.68 1.67 7.64 -1.26 -4.99 113.62 105.17 2k5r n SER 68 Ca -0.22 0.16 -0.35 0.00 1.01 0.00 0.00 58.87 59.47 2k5r n SER 68 Cb 0.67 -3.30 -0.09 0.00 -1.01 0.00 0.00 64.21 60.48 2k5r n SER 68 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2k5r s ILE 69 N -1.75 5.21 -0.28 0.44 -1.09 0.23 -5.05 121.20 118.91 2k5r s ILE 69 Ca 0.00 0.12 -0.28 0.00 -2.23 0.00 0.00 60.65 58.26 2k5r s ILE 69 Cb 0.00 -3.39 -0.03 0.00 -1.58 0.00 0.00 42.46 37.46 2k5r s ILE 69 CO 0.00 0.42 1.91 -2.16 -1.23 0.00 0.00 174.94 173.88 2k5r s PRO 70 N 0.58 3.33 -0.68 2.79 0.04 -1.26 -2.71 135.00 137.08 2k5r s PRO 70 Ca 0.07 1.65 -0.27 0.00 0.04 0.00 0.00 61.00 62.49 2k5r s PRO 70 Cb -0.12 -4.24 0.02 0.00 0.04 0.00 0.00 34.50 30.20 2k5r s PRO 70 CO 0.00 -1.87 1.40 0.08 0.04 0.00 0.00 177.00 176.65 2k5r s VAL 71 N 7.14 3.68 -1.58 -0.36 1.01 -0.90 -4.85 120.40 124.53 2k5r s VAL 71 Ca 0.86 0.44 0.07 0.00 0.00 0.00 0.00 61.98 63.34 2k5r s VAL 71 Cb -0.26 -4.67 0.24 0.00 0.00 0.00 0.00 36.38 31.68 2k5r s VAL 71 CO 0.34 -1.57 1.09 0.18 0.00 0.00 0.00 175.10 175.14 2k5r n LEU 72 N 9.96 1.74 -4.70 3.92 4.77 -1.26 -4.26 117.00 127.16 2k5r n LEU 72 Ca 0.08 -0.87 -0.42 0.00 -0.03 0.00 0.00 56.01 54.76 2k5r n LEU 72 Cb 0.50 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 2k5r n LEU 72 CO 0.71 0.34 0.76 -0.76 -1.33 0.00 0.00 177.39 177.11 2k5r s LEU 73 N -0.97 4.33 0.63 2.23 1.43 -1.26 -4.93 118.68 120.13 2k5r s LEU 73 Ca 0.17 1.68 0.37 0.00 -1.03 0.00 0.00 54.13 55.32 2k5r s LEU 73 Cb 0.10 -3.57 2.11 0.00 0.03 0.00 0.00 46.19 44.86 2k5r s LEU 73 CO 0.09 -0.37 2.30 1.55 0.23 0.00 0.00 176.35 180.16 2k5r h PRO 74 N 6.94 0.00 -0.38 1.29 0.13 -1.98 -1.80 132.00 136.21 2k5r h PRO 74 Ca -0.38 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.70 2k5r h PRO 74 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2k5r h PRO 74 CO 0.80 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.62 2k5r h GLU 75 N 0.00 0.60 -0.02 0.86 4.11 -1.97 -1.30 114.58 116.85 2k5r h GLU 75 Ca 0.00 -0.13 0.00 0.00 0.07 0.00 0.00 59.36 59.30 2k5r h GLU 75 Cb 0.04 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2k5r h GLU 75 CO -0.00 0.62 0.00 0.39 0.07 0.00 0.00 179.01 180.09 2k5r n GLU 76 N -4.26 1.06 -3.03 1.06 4.71 -0.68 -3.28 120.64 116.22 2k5r n GLU 76 Ca 0.02 -0.09 -0.42 0.00 -0.01 0.00 0.00 57.16 56.65 2k5r n GLU 76 Cb 0.26 -1.13 -0.06 0.00 -1.01 0.00 0.00 31.44 29.50 2k5r n GLU 76 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2k5r s ALA 77 N -1.97 3.43 -0.17 0.62 0.00 -0.49 -3.63 121.76 119.55 2k5r s ALA 77 Ca 0.12 -0.79 -0.08 0.00 0.00 0.00 0.00 51.96 51.21 2k5r s ALA 77 Cb 0.06 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 2k5r s ALA 77 CO 0.09 -1.46 0.10 0.42 0.00 0.00 0.00 175.76 174.91 2k5r s ILE 78 N 2.92 5.14 0.22 0.00 1.09 -0.09 -2.32 121.20 128.16 2k5r s ILE 78 Ca 0.28 0.09 -0.30 0.00 -1.10 0.00 0.00 60.65 59.61 2k5r s ILE 78 Cb -0.14 -3.30 -0.08 0.00 -1.06 0.00 0.00 42.46 37.88 2k5r s ILE 78 CO 0.16 0.50 0.96 0.00 -0.10 0.00 0.00 174.94 176.47 2k5r s ALA 79 N -0.04 3.33 0.61 9.38 0.00 -1.26 -0.41 121.76 133.37 2k5r s ALA 79 Ca 0.08 0.64 0.38 0.00 0.00 0.00 0.00 51.96 53.07 2k5r s ALA 79 Cb -0.12 -3.24 2.13 0.00 0.00 0.00 0.00 23.12 21.90 2k5r s ALA 79 CO 0.00 0.13 2.30 1.79 0.00 0.00 0.00 175.76 179.98 2k5r h THR 80 N 3.31 0.22 0.00 0.00 1.35 -1.75 -1.69 112.91 114.35 2k5r h THR 80 Ca -0.45 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2k5r h THR 80 Cb 1.20 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 2k5r h THR 80 CO 0.69 0.01 0.00 -0.29 -0.25 0.00 0.00 175.52 175.67 2k5r h ILE 81 N 0.00 0.00 0.00 6.82 6.09 -1.92 -0.75 117.51 127.75 2k5r h ILE 81 Ca -0.00 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.43 2k5r h ILE 81 Cb 0.04 1.02 0.00 0.00 0.47 0.00 0.00 36.82 38.35 2k5r h ILE 81 CO 0.00 0.00 0.00 1.56 -3.07 0.00 0.00 178.15 176.64 2k5r h GLN 82 N 0.00 0.00 -6.02 2.19 1.08 -1.59 -3.42 115.11 107.36 2k5r h GLN 82 Ca 0.00 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.61 2k5r h GLN 82 Cb 0.06 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 27.38 2k5r h GLN 82 CO 0.00 0.00 1.22 0.42 -0.95 0.00 0.00 178.83 179.52 2k5r s ILE 83 N -3.22 3.98 -2.00 2.54 -1.09 -0.29 -4.29 121.20 116.83 2k5r s ILE 83 Ca 0.08 -0.47 0.08 0.00 -2.23 0.00 0.00 60.65 58.10 2k5r s ILE 83 Cb 0.09 -4.96 0.22 0.00 -1.58 0.00 0.00 42.46 36.23 2k5r s ILE 83 CO 0.60 -1.83 0.88 0.00 -1.23 0.00 0.00 174.94 173.36 2k5r n ALA 84 N 8.69 1.83 -0.53 9.38 0.00 -1.26 -1.46 120.51 137.16 2k5r n ALA 84 Ca 0.20 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.61 2k5r n ALA 84 Cb 0.50 -1.13 0.03 0.00 0.00 0.00 0.00 19.45 18.85 2k5r n ALA 84 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2k5r n ASN 85 N -0.92 1.54 -4.65 0.00 0.23 -1.26 -5.06 115.26 105.14 2k5r n ASN 85 Ca 0.06 -2.01 -0.42 0.00 -0.53 0.00 0.00 54.58 51.68 2k5r n ASN 85 Cb 0.03 -0.09 -0.03 0.00 -2.08 0.00 0.00 39.78 37.60 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 -1.09 1.26 -0.85 -2.53 5.36 -0.53 -4.85 117.98 114.75 2k5r s PHE 86 Ca 0.06 -0.28 -0.25 0.00 -0.96 0.00 0.00 56.93 55.50 2k5r s PHE 86 Cb 0.05 -4.19 -0.08 0.00 -0.34 0.00 0.00 43.02 38.46 2k5r s PHE 86 CO 0.01 -5.30 2.14 -2.14 -1.46 0.00 0.00 175.22 168.46 2k5r s PRO 87 N 4.80 2.17 0.08 10.12 0.02 -1.26 -4.90 135.00 146.03 2k5r s PRO 87 Ca 0.91 0.04 0.00 0.00 0.02 0.00 0.00 61.00 61.97 2k5r s PRO 87 Cb -0.41 -4.94 -0.00 0.00 0.02 0.00 0.00 34.50 29.17 2k5r s PRO 87 CO 0.40 -3.81 0.02 -0.25 -0.33 0.00 0.00 177.00 173.03 2k5r n ASP 88 N 15.88 1.56 -4.59 2.53 9.92 -1.26 -5.14 116.55 135.45 2k5r n ASP 88 Ca 0.43 -1.41 -0.36 0.00 -0.53 0.00 0.00 54.79 52.92 2k5r n ASP 88 Cb 0.45 0.14 -0.11 0.00 -0.64 0.00 0.00 41.12 40.96 2k5r n ASP 88 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2k5r s LYS 89 N -2.31 3.92 -0.10 -1.24 -2.85 -1.26 -5.07 119.74 110.82 2k5r s LYS 89 Ca 0.02 -0.35 -0.30 0.00 -1.00 0.00 0.00 55.97 54.34 2k5r s LYS 89 Cb 0.00 -3.41 0.11 0.00 -2.06 0.00 0.00 37.83 32.47 2k5r s LYS 89 CO 0.02 0.02 0.91 -1.17 0.10 0.00 0.00 175.35 175.22 2k5r s LEU 90 N 1.13 -0.43 0.48 2.77 2.96 -1.26 -5.19 118.68 119.14 2k5r s LEU 90 Ca 0.06 0.38 0.03 0.00 -0.22 0.00 0.00 54.13 54.38 2k5r s LEU 90 Cb -0.14 2.03 -0.03 0.00 0.50 0.00 0.00 46.19 48.55 2k5r s LEU 90 CO 0.04 -0.46 0.04 -1.83 -1.32 0.00 0.00 176.35 172.82 2k5r s GLU 91 N -1.55 2.14 -0.44 1.98 4.04 -1.26 -5.11 118.70 118.51 2k5r s GLU 91 Ca -0.02 -2.28 0.03 0.00 0.04 0.00 0.00 54.97 52.73 2k5r s GLU 91 Cb -0.00 -1.61 0.24 0.00 0.02 0.00 0.00 34.13 32.77 2k5r s GLU 91 CO 0.01 -0.28 0.98 1.58 -1.84 0.00 0.00 175.26 175.70 2k5r n HIS 92 N -1.22 -2.41 -0.19 4.83 -0.00 -1.26 -5.05 115.22 109.92 2k5r n HIS 92 Ca -0.14 -1.29 -0.09 0.00 0.46 0.00 0.00 57.72 56.66 2k5r n HIS 92 Cb 0.67 1.38 0.02 0.00 -0.12 0.00 0.00 29.99 31.93 2k5r n HIS 92 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2k5r h HIS 93 N 3.95 0.93 -3.59 1.57 3.86 -2.02 -3.39 115.15 116.45 2k5r h HIS 93 Ca -0.12 -0.11 -0.64 0.00 -1.16 0.00 0.00 60.37 58.33 2k5r h HIS 93 Cb 1.10 -0.26 -0.14 0.00 1.06 0.00 0.00 27.41 29.17 2k5r h HIS 93 CO -0.02 0.80 0.02 -1.58 0.86 0.00 0.00 177.93 178.02 2k5r s HIS 94 N -5.29 3.17 -0.10 2.45 5.04 -1.26 -4.66 115.29 114.64 2k5r s HIS 94 Ca -0.13 0.25 -0.03 0.00 -1.54 0.00 0.00 55.06 53.61 2k5r s HIS 94 Cb 0.12 -2.99 0.01 0.00 0.04 0.00 0.00 32.58 29.76 2k5r s HIS 94 CO 0.81 -0.56 0.07 1.58 -2.34 0.00 0.00 174.74 174.29 2k5r n HIS 95 N 5.84 -1.84 -3.85 3.88 -0.00 -1.26 -5.12 115.22 112.87 2k5r n HIS 95 Ca -0.03 0.99 -0.10 0.00 -0.00 0.00 0.00 57.72 58.57 2k5r n HIS 95 Cb 0.49 -2.54 -0.08 0.00 -0.00 0.00 0.00 29.99 27.85 2k5r n HIS 95 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2k5r s HIS 96 N -0.43 0.10 -2.00 1.57 -0.00 -1.26 -4.96 115.29 108.31 2k5r s HIS 96 Ca -0.08 -0.39 0.12 0.00 -0.00 0.00 0.00 55.06 54.71 2k5r s HIS 96 Cb 0.01 -0.05 0.73 0.00 -0.00 0.00 0.00 32.58 33.27 2k5r s HIS 96 CO 0.34 -0.47 1.16 -2.39 -0.00 0.00 0.00 174.74 173.38