#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 5.35 0.04 7.83 1.11 -1.26 -4.68 116.67 125.06 2k5r s ASP 2 Ca 0.00 -1.79 0.01 0.00 0.18 0.00 0.00 52.55 50.95 2k5r s ASP 2 Cb 0.00 -2.59 -0.26 0.00 1.07 0.00 0.00 42.92 41.15 2k5r s ASP 2 CO 0.00 -2.74 0.98 0.03 1.18 0.00 0.00 175.17 174.63 2k5r h ARG 3 N 9.37 0.16 0.00 8.23 2.47 -1.93 -3.24 114.38 129.44 2k5r h ARG 3 Ca 0.26 -0.28 -0.03 0.00 -1.26 0.00 0.00 59.98 58.66 2k5r h ARG 3 Cb 0.93 0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 29.35 2k5r h ARG 3 CO 1.27 1.03 -0.15 0.87 0.56 0.00 0.00 179.97 183.54 2k5r h LYS 4 N 0.04 0.00 0.10 0.04 1.79 -1.83 -3.25 116.57 113.46 2k5r h LYS 4 Ca -0.17 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.15 2k5r h LYS 4 Cb 1.95 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.61 2k5r h LYS 4 CO 0.15 0.15 -0.67 -0.07 -1.08 0.00 0.00 179.45 177.93 2k5r h LEU 5 N 0.00 0.35 -8.80 2.94 -0.00 -1.92 -3.44 115.31 104.44 2k5r h LEU 5 Ca -0.00 -0.95 -0.56 0.00 -0.00 0.00 0.00 57.88 56.37 2k5r h LEU 5 Cb 0.68 -0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 41.21 2k5r h LEU 5 CO 0.02 1.32 1.33 -0.76 -0.00 0.00 0.00 178.44 180.35 2k5r s LEU 6 N -7.94 3.46 0.00 1.67 1.43 -1.22 -4.84 118.68 111.24 2k5r s LEU 6 Ca -0.15 1.19 0.09 0.00 -1.03 0.00 0.00 54.13 54.23 2k5r s LEU 6 Cb 0.00 -3.28 0.53 0.00 0.03 0.00 0.00 46.19 43.47 2k5r s LEU 6 CO 0.79 -1.92 0.95 0.00 0.23 0.00 0.00 176.35 176.40 2k5r n HIS 7 N 11.20 0.00 0.15 0.29 1.44 -1.26 -1.88 115.22 125.16 2k5r n HIS 7 Ca 0.24 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.98 2k5r n HIS 7 Cb 0.48 0.00 0.12 0.00 0.12 0.00 0.00 29.99 30.71 2k5r n HIS 7 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2k5r h LEU 8 N 0.00 0.00 -6.80 2.39 4.07 -1.92 -3.41 115.31 109.63 2k5r h LEU 8 Ca 0.00 0.00 -0.57 0.00 0.08 0.00 0.00 57.88 57.39 2k5r h LEU 8 Cb 0.00 0.00 -0.40 0.00 1.08 0.00 0.00 40.66 41.34 2k5r h LEU 8 CO 0.00 0.49 -0.80 -0.22 -1.08 0.00 0.00 178.44 176.84 2k5r s LEU 9 N -6.65 1.26 0.46 1.67 0.20 -0.79 -5.13 118.68 109.70 2k5r s LEU 9 Ca 0.03 -1.83 0.05 0.00 0.69 0.00 0.00 54.13 53.06 2k5r s LEU 9 Cb 0.09 -0.54 -0.04 0.00 -0.43 0.00 0.00 46.19 45.27 2k5r s LEU 9 CO 0.73 -0.37 0.08 0.00 -0.29 0.00 0.00 176.35 176.51 2k5r s SER 11 N -3.87 5.30 1.09 0.00 1.04 -1.26 -5.11 113.70 110.89 2k5r s SER 11 Ca 0.25 -0.44 -0.05 0.00 0.48 0.00 0.00 55.95 56.19 2k5r s SER 11 Cb 0.04 -1.95 0.08 0.00 0.10 0.00 0.00 66.02 64.29 2k5r s SER 11 CO 0.14 -0.13 0.19 -2.65 0.98 0.00 0.00 173.24 171.76 2k5r n PRO 12 N 4.94 -2.36 0.26 4.02 -0.02 -1.26 -4.70 135.00 135.88 2k5r n PRO 12 Ca -0.15 -0.31 0.18 0.00 -2.02 0.00 0.00 63.50 61.20 2k5r n PRO 12 Cb 0.50 -0.38 0.87 0.00 -0.02 0.00 0.00 33.50 34.47 2k5r n PRO 12 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2k5r h ASP 13 N -2.14 0.00 -0.05 2.55 5.19 -2.01 -0.41 116.42 119.55 2k5r h ASP 13 Ca -0.08 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.32 2k5r h ASP 13 Cb 0.27 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 2k5r h ASP 13 CO 0.05 0.00 0.00 0.71 -3.12 0.00 0.00 179.24 176.88 2k5r h THR 14 N 0.00 1.07 -3.18 0.35 1.35 -2.04 -3.28 112.91 107.18 2k5r h THR 14 Ca 0.06 -0.24 -0.63 0.00 -0.55 0.00 0.00 66.41 65.05 2k5r h THR 14 Cb 0.61 0.99 -0.41 0.00 -1.73 0.00 0.00 68.15 67.61 2k5r h THR 14 CO -0.00 0.08 -0.67 -0.60 -0.25 0.00 0.00 175.52 174.08 2k5r s ARG 15 N -5.04 1.77 -0.10 4.72 3.52 -0.16 -5.10 118.95 118.56 2k5r s ARG 15 Ca -0.06 -2.49 -0.34 0.00 -0.13 0.00 0.00 55.73 52.72 2k5r s ARG 15 Cb 0.17 -2.93 -0.11 0.00 -1.56 0.00 0.00 34.95 30.51 2k5r s ARG 15 CO 0.69 -1.16 1.93 0.00 -0.81 0.00 0.00 175.30 175.96 2k5r n GLN 16 N 3.10 2.16 -3.10 5.12 0.00 -1.24 -4.63 117.38 118.80 2k5r n GLN 16 Ca 0.09 0.78 -0.36 0.00 0.00 0.00 0.00 57.00 57.51 2k5r n GLN 16 Cb 0.34 -2.70 -0.06 0.00 0.00 0.00 0.00 30.24 27.82 2k5r n GLN 16 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2k5r s PRO 17 N 4.39 4.24 0.51 2.61 0.04 -1.26 -5.02 135.00 140.51 2k5r s PRO 17 Ca 0.94 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2k5r s PRO 17 Cb -0.66 -2.84 0.02 0.00 0.04 0.00 0.00 34.50 31.05 2k5r s PRO 17 CO 0.50 0.37 0.74 -0.51 0.04 0.00 0.00 177.00 178.14 2k5r s LEU 18 N -2.05 3.43 0.23 -3.56 1.43 -1.26 -2.77 118.68 114.13 2k5r s LEU 18 Ca 0.44 0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 53.57 2k5r s LEU 18 Cb -0.16 -3.03 0.00 0.00 0.03 0.00 0.00 46.19 43.03 2k5r s LEU 18 CO 0.21 -0.95 0.47 -0.44 0.23 0.00 0.00 176.35 175.87 2k5r s SER 19 N -4.33 -0.11 -0.11 2.29 0.01 0.10 -4.85 113.70 106.70 2k5r s SER 19 Ca 0.53 -0.82 -0.28 0.00 1.31 0.00 0.00 55.95 56.69 2k5r s SER 19 Cb -0.10 0.57 -0.02 0.00 0.21 0.00 0.00 66.02 66.68 2k5r s SER 19 CO 0.39 -1.10 0.93 -0.22 0.41 0.00 0.00 173.24 173.65 2k5r s LEU 20 N -2.98 4.24 -0.13 2.44 1.98 -1.26 -0.61 118.68 122.36 2k5r s LEU 20 Ca 0.19 1.42 -0.29 0.00 -2.89 0.00 0.00 54.13 52.55 2k5r s LEU 20 Cb -0.00 -3.43 -0.06 0.00 0.66 0.00 0.00 46.19 43.36 2k5r s LEU 20 CO 0.05 -0.39 1.95 -0.22 -1.89 0.00 0.00 176.35 175.85 2k5r s LEU 21 N 1.87 3.92 -0.15 -0.68 2.96 0.28 -4.80 118.68 122.08 2k5r s LEU 21 Ca 0.45 2.08 -0.36 0.00 -0.22 0.00 0.00 54.13 56.07 2k5r s LEU 21 Cb -0.18 -3.52 -0.13 0.00 0.50 0.00 0.00 46.19 42.86 2k5r s LEU 21 CO 0.17 -1.44 1.83 1.21 -1.32 0.00 0.00 176.35 176.80 2k5r n GLU 22 N 8.01 1.82 -0.17 1.98 2.13 -1.26 -4.65 120.64 128.51 2k5r n GLU 22 Ca 0.23 0.67 0.24 0.00 0.66 0.00 0.00 57.16 58.96 2k5r n GLU 22 Cb 0.44 -2.46 0.65 0.00 0.27 0.00 0.00 31.44 30.34 2k5r n GLU 22 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2k5r h SER 23 N 8.45 0.13 -0.39 4.31 4.64 -1.91 0.16 113.55 128.94 2k5r h SER 23 Ca -0.48 0.01 0.07 0.00 -0.47 0.00 0.00 61.79 60.93 2k5r h SER 23 Cb 1.29 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 63.30 2k5r h SER 23 CO 0.95 0.05 -0.01 0.11 -0.87 0.00 0.00 176.83 177.07 2k5r h LYS 24 N 0.13 0.09 0.00 4.77 1.79 -2.01 -1.99 116.57 119.36 2k5r h LYS 24 Ca 0.41 -0.01 -0.17 0.00 -2.18 0.00 0.00 60.65 58.70 2k5r h LYS 24 Cb 1.41 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 32.01 2k5r h LYS 24 CO -0.06 0.06 -0.80 0.78 -1.08 0.00 0.00 179.45 178.35 2k5r h GLY 25 N 0.09 0.02 1.41 3.86 0.00 -1.15 -3.32 103.07 103.98 2k5r h GLY 25 Ca 0.19 -0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.55 2k5r h GLY 25 CO -0.33 0.03 0.27 -2.00 0.00 0.00 0.00 176.54 174.50 2k5r h LEU 26 N 0.01 0.25 -1.66 3.11 5.85 -0.26 -0.68 115.31 121.93 2k5r h LEU 26 Ca -0.01 -0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.87 2k5r h LEU 26 Cb 1.42 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.35 2k5r h LEU 26 CO 0.11 0.16 0.50 1.05 -0.34 0.00 0.00 178.44 179.92 2k5r h GLU 27 N 0.28 0.32 -0.52 1.25 4.11 -1.55 -0.79 114.58 117.69 2k5r h GLU 27 Ca 0.17 -0.02 0.02 0.00 0.07 0.00 0.00 59.36 59.60 2k5r h GLU 27 Cb 0.32 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2k5r h GLU 27 CO -0.04 0.21 0.31 0.00 0.07 0.00 0.00 179.01 179.57 2k5r h ALA 28 N 1.65 0.66 0.17 1.06 0.00 -1.35 0.72 119.26 122.18 2k5r h ALA 28 Ca 0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 2k5r h ALA 28 Cb 0.93 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2k5r h ALA 28 CO -0.10 0.03 -0.08 -0.07 0.00 0.00 0.00 179.25 179.02 2k5r h LEU 29 N 0.63 -0.20 -0.61 0.00 -0.00 -1.27 -1.19 115.31 112.68 2k5r h LEU 29 Ca 0.21 -0.04 0.05 0.00 -0.00 0.00 0.00 57.88 58.10 2k5r h LEU 29 Cb 0.01 0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 40.67 2k5r h LEU 29 CO -0.09 -0.09 0.33 0.78 -0.00 0.00 0.00 178.44 179.38 2k5r h ASN 30 N -0.29 0.49 -0.62 -0.43 2.35 -1.18 0.14 115.58 116.05 2k5r h ASN 30 Ca -0.02 0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 2k5r h ASN 30 Cb 0.22 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 2k5r h ASN 30 CO 0.04 0.33 0.10 0.11 -1.65 0.00 0.00 177.43 176.36 2k5r h LYS 31 N 0.62 1.04 -0.02 0.81 1.57 -0.79 -1.28 116.57 118.53 2k5r h LYS 31 Ca 0.27 -0.27 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2k5r h LYS 31 Cb 0.15 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2k5r h LYS 31 CO -0.17 0.96 -0.42 0.00 -0.57 0.00 0.00 179.45 179.26 2k5r h ALA 32 N 1.12 1.27 -0.35 3.86 0.00 -0.59 -0.67 119.26 123.90 2k5r h ALA 32 Ca 0.20 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2k5r h ALA 32 Cb 0.42 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2k5r h ALA 32 CO 0.01 0.54 0.07 0.82 0.00 0.00 0.00 179.25 180.68 2k5r h ILE 33 N 0.04 1.23 -0.40 0.00 2.04 -0.22 0.15 117.51 120.35 2k5r h ILE 33 Ca 0.00 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 2k5r h ILE 33 Cb 0.75 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 2k5r h ILE 33 CO 0.06 0.27 0.11 0.58 0.00 0.00 0.00 178.15 179.17 2k5r h VAL 34 N 0.41 1.18 0.00 1.67 2.07 -1.00 -1.47 116.25 119.10 2k5r h VAL 34 Ca 0.11 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2k5r h VAL 34 Cb 0.34 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2k5r h VAL 34 CO 0.00 0.22 0.00 -0.24 0.02 0.00 0.00 177.57 177.58 2k5r n SER 35 N -4.34 0.60 -2.51 0.57 2.88 -0.28 -4.95 113.62 105.59 2k5r n SER 35 Ca 0.03 0.58 -0.15 0.00 -1.33 0.00 0.00 58.87 58.00 2k5r n SER 35 Cb 0.18 -0.73 0.05 0.00 -0.75 0.00 0.00 64.21 62.96 2k5r n SER 35 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k5r n GLY 36 N 0.97 -0.02 0.17 0.46 0.00 0.42 -4.95 105.19 102.24 2k5r n GLY 36 Ca 0.05 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.97 1.12 -3.37 2.61 5.66 -0.48 -4.99 114.28 110.86 2k5r n THR 37 Ca -0.02 -1.31 -0.45 0.00 -3.05 0.00 0.00 64.05 59.22 2k5r n THR 37 Cb 0.55 0.15 -0.07 0.00 -1.55 0.00 0.00 70.33 69.41 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 -1.63 5.23 -0.13 1.08 1.01 -1.25 -4.81 120.40 119.89 2k5r s VAL 38 Ca 0.17 -1.16 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 2k5r s VAL 38 Cb 0.15 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 2k5r s VAL 38 CO 0.02 -0.65 -0.01 0.00 0.00 0.00 0.00 175.10 174.46 2k5r s GLN 39 N 1.64 3.45 0.95 2.72 1.03 -1.26 -0.43 119.66 127.75 2k5r s GLN 39 Ca 0.04 -0.45 -0.14 0.00 0.04 0.00 0.00 55.36 54.86 2k5r s GLN 39 Cb -0.26 -2.91 0.16 0.00 0.03 0.00 0.00 33.01 30.03 2k5r s GLN 39 CO 0.06 0.43 1.16 1.03 -2.54 0.00 0.00 175.29 175.44 2k5r s ARG 40 N -0.14 0.81 0.47 9.60 0.52 -0.53 -4.22 118.95 125.45 2k5r s ARG 40 Ca 0.04 0.13 0.22 0.00 -0.52 0.00 0.00 55.73 55.60 2k5r s ARG 40 Cb -0.13 -1.82 1.23 0.00 0.52 0.00 0.00 34.95 34.76 2k5r s ARG 40 CO 0.02 -2.39 1.90 0.00 0.02 0.00 0.00 175.30 174.85 2k5r h ALA 41 N -1.63 2.39 -0.33 2.13 0.00 0.33 0.60 119.26 122.74 2k5r h ALA 41 Ca -0.49 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 2k5r h ALA 41 Cb 1.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2k5r h ALA 41 CO 0.55 -0.63 -0.23 0.22 0.00 0.00 0.00 179.25 179.16 2k5r h ASP 42 N 0.24 0.65 0.00 0.00 3.58 -1.73 -3.48 116.42 115.68 2k5r h ASP 42 Ca 0.40 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2k5r h ASP 42 Cb 1.20 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.07 2k5r h ASP 42 CO -0.09 0.87 0.00 0.61 -2.88 0.00 0.00 179.24 177.75 2k5r n GLY 43 N -0.30 2.18 3.70 -0.78 0.00 0.21 -5.10 105.19 105.10 2k5r n GLY 43 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.95 6.59 0.62 1.61 0.01 -1.26 -4.44 113.70 114.88 2k5r s SER 44 Ca 0.00 2.54 -0.17 0.00 1.31 0.00 0.00 55.95 59.63 2k5r s SER 44 Cb 0.00 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 2k5r s SER 44 CO 0.00 -0.87 1.17 -0.63 0.41 0.00 0.00 173.24 173.32 2k5r s ILE 45 N 2.14 2.80 -0.35 1.44 -1.09 -1.26 -1.46 121.20 123.43 2k5r s ILE 45 Ca 0.73 0.45 -0.14 0.00 -2.23 0.00 0.00 60.65 59.46 2k5r s ILE 45 Cb -0.41 -3.09 -0.01 0.00 -1.58 0.00 0.00 42.46 37.37 2k5r s ILE 45 CO 0.32 -0.16 0.30 -1.58 -1.23 0.00 0.00 174.94 172.59 2k5r s GLN 46 N -3.59 3.48 -0.13 2.79 2.00 0.42 -4.88 119.66 119.75 2k5r s GLN 46 Ca 0.74 -0.58 0.08 0.00 -2.00 0.00 0.00 55.36 53.59 2k5r s GLN 46 Cb -0.27 -3.82 -0.23 0.00 0.80 0.00 0.00 33.01 29.49 2k5r s GLN 46 CO 0.36 -0.51 0.31 0.09 -0.50 0.00 0.00 175.29 175.04 2k5r n ASN 47 N 5.23 1.12 -4.91 6.67 5.03 -1.26 -4.74 115.26 122.40 2k5r n ASN 47 Ca -0.11 0.18 -0.29 0.00 0.87 0.00 0.00 54.58 55.23 2k5r n ASN 47 Cb 0.49 -0.04 -0.04 0.00 -1.02 0.00 0.00 39.78 39.17 2k5r n ASN 47 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k5r s GLN 48 N -2.55 3.38 0.49 3.52 1.03 -1.26 -4.88 119.66 119.40 2k5r s GLN 48 Ca -0.15 -0.52 -0.01 0.00 0.04 0.00 0.00 55.36 54.72 2k5r s GLN 48 Cb 0.07 -2.98 0.00 0.00 0.03 0.00 0.00 33.01 30.13 2k5r s GLN 48 CO 0.78 0.58 0.73 -1.54 -2.54 0.00 0.00 175.29 173.30 2k5r s SER 49 N -2.74 5.75 0.09 12.60 1.04 -1.26 -5.05 113.70 124.14 2k5r s SER 49 Ca 0.34 0.38 -0.13 0.00 0.48 0.00 0.00 55.95 57.02 2k5r s SER 49 Cb -0.12 -1.54 0.02 0.00 0.10 0.00 0.00 66.02 64.47 2k5r s SER 49 CO 0.28 -0.81 0.31 -1.48 0.98 0.00 0.00 173.24 172.52 2k5r s LEU 50 N -4.67 0.83 -0.00 2.42 0.05 -1.26 -5.07 118.68 110.98 2k5r s LEU 50 Ca 0.50 -0.39 0.15 0.00 0.05 0.00 0.00 54.13 54.45 2k5r s LEU 50 Cb -0.10 1.47 -0.17 0.00 -2.05 0.00 0.00 46.19 45.34 2k5r s LEU 50 CO 0.40 -0.75 0.61 1.41 -0.55 0.00 0.00 176.35 177.46 2k5r n HIS 51 N 0.03 0.00 -3.93 3.48 8.25 -1.26 -4.94 115.22 116.85 2k5r n HIS 51 Ca -0.16 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.17 2k5r n HIS 51 Cb 0.62 -0.05 -0.14 0.00 1.12 0.00 0.00 29.99 31.55 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 -2.51 0.08 0.28 -0.41 2.02 -1.26 -4.92 118.70 111.97 2k5r s GLU 52 Ca 0.04 -0.04 -0.16 0.00 0.02 0.00 0.00 54.97 54.83 2k5r s GLU 52 Cb 0.11 -0.08 0.01 0.00 0.10 0.00 0.00 34.13 34.28 2k5r s GLU 52 CO 0.63 0.02 0.62 0.00 0.02 0.00 0.00 175.26 176.55 2k5r s ALA 53 N -0.03 -0.71 0.13 5.21 0.00 -1.26 -4.06 121.76 121.05 2k5r s ALA 53 Ca 0.00 -0.63 0.08 0.00 0.00 0.00 0.00 51.96 51.42 2k5r s ALA 53 Cb -0.00 0.93 -0.04 0.00 0.00 0.00 0.00 23.12 24.01 2k5r s ALA 53 CO -0.00 -0.95 -0.12 -0.51 0.00 0.00 0.00 175.76 174.17 2k5r s LEU 54 N -2.99 2.91 -0.02 0.00 1.43 0.64 -0.55 118.68 120.11 2k5r s LEU 54 Ca 0.17 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 52.64 2k5r s LEU 54 Cb -0.04 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.52 2k5r s LEU 54 CO 0.09 0.15 0.26 -0.51 0.23 0.00 0.00 176.35 176.57 2k5r s ILE 55 N -1.36 0.06 0.53 -0.59 1.10 0.22 -0.83 121.20 120.34 2k5r s ILE 55 Ca 0.21 -0.47 -0.17 0.00 -0.51 0.00 0.00 60.65 59.71 2k5r s ILE 55 Cb -0.10 -0.54 -0.07 0.00 0.15 0.00 0.00 42.46 41.90 2k5r s ILE 55 CO 0.13 -0.26 1.01 0.42 -2.11 0.00 0.00 174.94 174.13 2k5r s THR 56 N -1.15 4.19 0.44 4.00 -4.23 -1.24 0.02 115.64 117.67 2k5r s THR 56 Ca -0.12 1.11 0.19 0.00 -1.18 0.00 0.00 61.69 61.69 2k5r s THR 56 Cb -0.05 -3.56 0.38 0.00 1.34 0.00 0.00 72.50 70.60 2k5r s THR 56 CO 0.03 -0.54 1.89 -0.09 -0.54 0.00 0.00 174.62 175.37 2k5r h ARG 57 N 0.94 0.34 -0.63 3.99 9.65 -1.85 0.71 114.38 127.54 2k5r h ARG 57 Ca -0.47 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 2k5r h ARG 57 Cb 1.20 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 2k5r h ARG 57 CO 0.60 0.22 0.00 -0.40 2.80 0.00 0.00 179.97 183.19 2k5r n ASP 58 N -4.47 3.77 -2.95 -3.80 5.75 -1.26 -4.99 116.55 108.61 2k5r n ASP 58 Ca 0.17 -2.00 -0.13 0.00 -0.01 0.00 0.00 54.79 52.82 2k5r n ASP 58 Cb 0.66 -0.42 0.07 0.00 -1.03 0.00 0.00 41.12 40.40 2k5r n ASP 58 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2k5r n ARG 59 N 1.59 -4.28 -0.02 0.11 3.00 0.24 -5.00 116.66 112.32 2k5r n ARG 59 Ca 0.23 0.69 -0.00 0.00 -0.01 0.00 0.00 57.85 58.76 2k5r n ARG 59 Cb 0.61 -5.16 -0.00 0.00 0.00 0.00 0.00 32.46 27.92 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 -1.33 0.00 -5.68 5.56 1.57 -1.95 -3.44 116.57 111.30 2k5r h LYS 60 Ca -0.48 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.76 2k5r h LYS 60 Cb 1.27 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.29 2k5r h LYS 60 CO 0.39 0.00 -0.83 -0.65 -0.57 0.00 0.00 179.45 177.79 2k5r s GLN 61 N -1.20 1.39 -0.27 3.15 -1.52 -1.26 -3.01 119.66 116.93 2k5r s GLN 61 Ca -0.01 -0.66 -0.12 0.00 -1.95 0.00 0.00 55.36 52.62 2k5r s GLN 61 Cb 0.00 -1.36 -0.05 0.00 -0.22 0.00 0.00 33.01 31.39 2k5r s GLN 61 CO 0.01 0.37 0.24 0.08 -0.25 0.00 0.00 175.29 175.74 2k5r s VAL 62 N -0.46 5.27 -0.07 1.09 1.01 0.66 -3.65 120.40 124.25 2k5r s VAL 62 Ca 0.07 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.21 2k5r s VAL 62 Cb -0.07 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 2k5r s VAL 62 CO -0.00 0.23 0.28 -0.36 0.00 0.00 0.00 175.10 175.25 2k5r s PHE 63 N 1.81 3.64 0.43 5.22 0.40 -0.01 -0.26 117.98 129.23 2k5r s PHE 63 Ca 0.09 0.76 -0.12 0.00 -0.60 0.00 0.00 56.93 57.06 2k5r s PHE 63 Cb -0.16 -2.15 -0.07 0.00 0.51 0.00 0.00 43.02 41.15 2k5r s PHE 63 CO 0.10 0.63 0.82 0.50 0.70 0.00 0.00 175.22 177.97 2k5r s ARG 64 N -0.86 3.81 -0.07 0.44 3.52 -1.25 -0.26 118.95 124.28 2k5r s ARG 64 Ca 0.19 0.57 0.05 0.00 -0.13 0.00 0.00 55.73 56.41 2k5r s ARG 64 Cb -0.14 -2.33 -0.01 0.00 -1.56 0.00 0.00 34.95 30.91 2k5r s ARG 64 CO 0.08 -0.09 -0.24 0.42 -0.81 0.00 0.00 175.30 174.66 2k5r s ILE 65 N -2.44 1.97 0.01 4.11 1.01 -1.26 -2.51 121.20 122.09 2k5r s ILE 65 Ca 0.53 -1.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.12 2k5r s ILE 65 Cb -0.10 -1.68 -0.00 0.00 0.01 0.00 0.00 42.46 40.68 2k5r s ILE 65 CO 0.32 0.55 0.10 -1.83 0.00 0.00 0.00 174.94 174.07 2k5r s GLU 66 N 0.03 0.45 -1.95 2.79 -1.05 -1.17 -4.86 118.70 112.94 2k5r s GLU 66 Ca -0.08 -0.46 0.00 0.00 -0.15 0.00 0.00 54.97 54.27 2k5r s GLU 66 Cb -0.15 0.18 0.00 0.00 -0.44 0.00 0.00 34.13 33.72 2k5r s GLU 66 CO 0.05 -0.10 0.00 -3.47 0.95 0.00 0.00 175.26 172.69 2k5r n ASP 67 N 1.45 -5.27 -0.64 0.83 2.03 -1.26 -0.84 116.55 112.85 2k5r n ASP 67 Ca -0.23 0.41 -0.08 0.00 0.52 0.00 0.00 54.79 55.41 2k5r n ASP 67 Cb 0.55 -4.41 -0.04 0.00 -0.72 0.00 0.00 41.12 36.51 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 -1.09 -4.82 -4.47 1.67 2.88 -1.26 -5.00 113.62 101.53 2k5r n SER 68 Ca -0.19 0.21 -0.35 0.00 -1.33 0.00 0.00 58.87 57.21 2k5r n SER 68 Cb 0.62 -3.06 -0.12 0.00 -0.75 0.00 0.00 64.21 60.90 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 -2.03 3.98 -0.52 2.46 -1.09 -0.02 -5.06 121.20 118.92 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 -2.79 -0.05 0.00 -1.58 0.00 0.00 42.46 38.04 2k5r s ILE 69 CO 0.00 0.45 2.24 -2.84 -1.23 0.00 0.00 174.94 173.56 2k5r s PRO 70 N 0.79 2.27 -0.85 2.79 0.02 -1.26 -3.06 135.00 135.70 2k5r s PRO 70 Ca 0.00 1.19 -0.25 0.00 0.02 0.00 0.00 61.00 61.96 2k5r s PRO 70 Cb -0.14 -4.52 0.02 0.00 0.02 0.00 0.00 34.50 29.88 2k5r s PRO 70 CO 0.02 -3.10 1.49 0.08 -0.33 0.00 0.00 177.00 175.15 2k5r s VAL 71 N 11.23 3.73 -0.26 3.83 1.01 -1.04 -4.84 120.40 134.05 2k5r s VAL 71 Ca 0.89 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.73 2k5r s VAL 71 Cb -0.16 -4.76 0.35 0.00 0.00 0.00 0.00 36.38 31.81 2k5r s VAL 71 CO 0.25 -1.68 1.57 0.18 0.00 0.00 0.00 175.10 175.41 2k5r n LEU 72 N 10.09 5.26 -4.74 3.92 4.77 -1.26 -4.11 117.00 130.92 2k5r n LEU 72 Ca 0.21 -2.76 -0.41 0.00 -0.03 0.00 0.00 56.01 53.02 2k5r n LEU 72 Cb 0.50 -0.73 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 2k5r n LEU 72 CO 0.68 0.86 0.85 -0.76 -1.33 0.00 0.00 177.39 177.68 2k5r s LEU 73 N -1.85 4.47 0.51 2.23 1.43 -1.26 -4.94 118.68 119.27 2k5r s LEU 73 Ca 0.32 2.20 0.18 0.00 -1.03 0.00 0.00 54.13 55.80 2k5r s LEU 73 Cb 0.27 -3.61 1.29 0.00 0.03 0.00 0.00 46.19 44.17 2k5r s LEU 73 CO 0.05 -0.31 2.13 1.55 0.23 0.00 0.00 176.35 180.00 2k5r h PRO 74 N 5.04 0.00 0.00 1.29 0.13 -2.00 -2.32 132.00 134.15 2k5r h PRO 74 Ca -0.45 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.48 2k5r h PRO 74 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2k5r h PRO 74 CO 0.73 0.05 -0.89 1.05 -0.23 0.00 0.00 178.00 178.70 2k5r h GLU 75 N 0.00 0.27 -0.18 0.86 9.09 -1.93 -3.28 114.58 119.42 2k5r h GLU 75 Ca -0.00 -0.29 0.00 0.00 0.05 0.00 0.00 59.36 59.12 2k5r h GLU 75 Cb 0.09 0.08 0.00 0.00 -1.65 0.00 0.00 28.75 27.27 2k5r h GLU 75 CO 0.01 1.00 0.00 0.39 0.05 0.00 0.00 179.01 180.46 2k5r n GLU 76 N -3.69 1.16 -2.72 1.06 -0.58 -0.87 -1.59 120.64 113.41 2k5r n GLU 76 Ca -0.05 -0.22 -0.42 0.00 -0.42 0.00 0.00 57.16 56.05 2k5r n GLU 76 Cb 0.81 -1.12 -0.03 0.00 -0.57 0.00 0.00 31.44 30.53 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 -1.82 3.04 0.11 0.62 0.00 -1.24 -3.77 121.76 118.70 2k5r s ALA 77 Ca 0.04 -1.24 -0.30 0.00 0.00 0.00 0.00 51.96 50.46 2k5r s ALA 77 Cb 0.02 -3.92 -0.06 0.00 0.00 0.00 0.00 23.12 19.16 2k5r s ALA 77 CO 0.03 -2.67 1.16 0.42 0.00 0.00 0.00 175.76 174.70 2k5r s ILE 78 N 4.53 3.98 -0.26 0.00 1.09 0.65 -0.35 121.20 130.85 2k5r s ILE 78 Ca 0.33 1.52 -0.26 0.00 -1.10 0.00 0.00 60.65 61.15 2k5r s ILE 78 Cb -0.11 -3.97 0.00 0.00 -1.06 0.00 0.00 42.46 37.32 2k5r s ILE 78 CO 0.19 0.17 0.88 0.00 -0.10 0.00 0.00 174.94 176.08 2k5r s ALA 79 N 0.55 3.63 0.19 9.38 0.00 -1.26 -0.24 121.76 134.01 2k5r s ALA 79 Ca 0.55 -0.11 -0.12 0.00 0.00 0.00 0.00 51.96 52.28 2k5r s ALA 79 Cb -0.29 -3.37 0.14 0.00 0.00 0.00 0.00 23.12 19.60 2k5r s ALA 79 CO 0.32 -1.03 1.83 1.79 0.00 0.00 0.00 175.76 178.67 2k5r h THR 80 N 5.48 1.08 0.00 0.00 1.35 -1.83 -1.33 112.91 117.67 2k5r h THR 80 Ca -0.22 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2k5r h THR 80 Cb 1.08 0.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 2k5r h THR 80 CO 0.91 0.14 0.00 -0.29 -0.25 0.00 0.00 175.52 176.02 2k5r h ILE 81 N 0.75 0.00 0.00 6.82 6.09 -1.89 -0.94 117.51 128.34 2k5r h ILE 81 Ca 0.24 -0.02 -0.06 0.00 -1.37 0.00 0.00 64.86 63.65 2k5r h ILE 81 Cb 0.01 0.55 -0.01 0.00 0.47 0.00 0.00 36.82 37.84 2k5r h ILE 81 CO -0.09 0.00 -0.38 -0.61 -3.07 0.00 0.00 178.15 174.00 2k5r h GLN 82 N 0.00 0.00 -5.86 2.19 5.75 -1.65 -3.45 115.11 112.09 2k5r h GLN 82 Ca 0.00 0.00 -0.58 0.00 -0.15 0.00 0.00 58.65 57.92 2k5r h GLN 82 Cb 0.03 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.51 2k5r h GLN 82 CO 0.00 0.26 0.33 0.42 -2.65 0.00 0.00 178.83 177.20 2k5r s ILE 83 N -3.08 4.91 0.26 2.39 -1.09 -0.36 -4.95 121.20 119.29 2k5r s ILE 83 Ca 0.05 1.52 0.15 0.00 -2.23 0.00 0.00 60.65 60.13 2k5r s ILE 83 Cb 0.07 -4.09 0.07 0.00 -1.58 0.00 0.00 42.46 36.93 2k5r s ILE 83 CO 0.72 0.04 1.72 0.00 -1.23 0.00 0.00 174.94 176.19 2k5r h ALA 84 N 7.40 1.09 0.00 9.38 0.00 -1.88 -3.12 119.26 132.13 2k5r h ALA 84 Ca -0.29 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2k5r h ALA 84 Cb 1.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2k5r h ALA 84 CO 0.83 0.57 0.00 0.09 0.00 0.00 0.00 179.25 180.74 2k5r n ASN 85 N -3.76 0.00 -4.55 0.00 4.13 -1.26 -4.60 115.26 105.22 2k5r n ASN 85 Ca -0.01 -0.70 -0.41 0.00 1.68 0.00 0.00 54.58 55.14 2k5r n ASN 85 Cb 0.52 -0.03 -0.09 0.00 -1.54 0.00 0.00 39.78 38.64 2k5r n ASN 85 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2k5r s PHE 86 N -2.06 3.20 0.13 3.10 0.08 -1.18 -4.79 117.98 116.46 2k5r s PHE 86 Ca 0.36 0.04 -0.31 0.00 0.12 0.00 0.00 56.93 57.13 2k5r s PHE 86 Cb 0.17 -2.76 -0.10 0.00 -0.57 0.00 0.00 43.02 39.75 2k5r s PHE 86 CO 0.29 -0.48 1.73 -1.25 -0.10 0.00 0.00 175.22 175.41 2k5r s PRO 87 N 2.15 4.16 0.00 0.24 0.04 -1.26 -5.01 135.00 135.32 2k5r s PRO 87 Ca 0.14 2.49 0.00 0.00 0.04 0.00 0.00 61.00 63.67 2k5r s PRO 87 Cb -0.16 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 30.93 2k5r s PRO 87 CO 0.12 -0.76 0.00 -0.40 0.04 0.00 0.00 177.00 176.00 2k5r n ASP 88 N 5.15 0.00 -3.68 6.66 5.75 -1.26 -5.10 116.55 124.06 2k5r n ASP 88 Ca 0.16 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.80 2k5r n ASP 88 Cb 0.38 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.39 2k5r n ASP 88 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2k5r s LYS 89 N 0.00 0.77 0.28 0.11 0.00 -1.26 -5.18 119.74 114.47 2k5r s LYS 89 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 55.97 56.05 2k5r s LYS 89 Cb 0.00 0.35 -0.02 0.00 0.00 0.00 0.00 37.83 38.16 2k5r s LYS 89 CO 0.00 -0.22 0.37 -0.48 0.00 0.00 0.00 175.35 175.02 2k5r s LEU 90 N -1.15 4.06 -0.26 2.77 2.34 -1.26 -5.13 118.68 120.04 2k5r s LEU 90 Ca -0.12 -0.12 -0.25 0.00 0.06 0.00 0.00 54.13 53.70 2k5r s LEU 90 Cb -0.03 -2.69 0.09 0.00 -0.56 0.00 0.00 46.19 42.99 2k5r s LEU 90 CO 0.06 -0.22 0.82 -0.70 -1.06 0.00 0.00 176.35 175.24 2k5r s GLU 91 N -4.03 0.75 -0.33 1.48 2.56 -1.26 -5.06 118.70 112.80 2k5r s GLU 91 Ca 0.38 0.83 0.11 0.00 0.00 0.00 0.00 54.97 56.30 2k5r s GLU 91 Cb -0.09 0.36 0.46 0.00 2.00 0.00 0.00 34.13 36.87 2k5r s GLU 91 CO 0.29 -0.10 1.12 1.58 -0.56 0.00 0.00 175.26 177.59 2k5r n HIS 92 N 2.43 2.40 -1.71 5.30 -0.00 -1.26 -4.81 115.22 117.58 2k5r n HIS 92 Ca -0.14 -2.53 -0.04 0.00 -0.00 0.00 0.00 57.72 55.01 2k5r n HIS 92 Cb 0.55 -0.25 0.15 0.00 -0.00 0.00 0.00 29.99 30.44 2k5r n HIS 92 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k5r n HIS 93 N -0.53 0.90 -1.92 1.57 -0.00 -1.26 -5.05 115.22 108.93 2k5r n HIS 93 Ca 0.30 -1.73 -0.43 0.00 -0.00 0.00 0.00 57.72 55.86 2k5r n HIS 93 Cb 0.83 -0.31 -0.03 0.00 -0.00 0.00 0.00 29.99 30.48 2k5r n HIS 93 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2k5r s HIS 94 N -3.35 1.74 -0.30 1.57 3.76 -1.26 -4.92 115.29 112.53 2k5r s HIS 94 Ca 0.43 0.39 -0.06 0.00 -0.15 0.00 0.00 55.06 55.66 2k5r s HIS 94 Cb 0.39 -4.03 0.19 0.00 1.11 0.00 0.00 32.58 30.23 2k5r s HIS 94 CO -0.03 -3.61 0.90 -1.58 -0.85 0.00 0.00 174.74 169.56 2k5r s HIS 95 N 5.90 -0.92 0.35 1.40 5.04 -1.26 -5.16 115.29 120.64 2k5r s HIS 95 Ca 0.81 0.65 -0.29 0.00 -1.54 0.00 0.00 55.06 54.70 2k5r s HIS 95 Cb -0.29 0.20 -0.11 0.00 0.04 0.00 0.00 32.58 32.42 2k5r s HIS 95 CO 0.33 -0.53 1.47 -1.58 -2.34 0.00 0.00 174.74 172.09 2k5r s HIS 96 N 2.92 2.71 0.00 3.88 2.46 -1.26 -5.31 115.29 120.69 2k5r s HIS 96 Ca 0.17 1.14 0.00 0.00 0.47 0.00 0.00 55.06 56.84 2k5r s HIS 96 Cb -0.07 -3.96 0.00 0.00 -0.13 0.00 0.00 32.58 28.42 2k5r s HIS 96 CO -0.21 -2.87 0.46 -2.39 -2.47 0.00 0.00 174.74 167.25