#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5r n ASP 2 N 0.00 5.48 0.12 7.83 9.92 -1.26 -4.48 116.55 134.16 2k5r n ASP 2 Ca 0.00 -2.49 0.12 0.00 -0.53 0.00 0.00 54.79 51.90 2k5r n ASP 2 Cb 0.00 -1.12 0.47 0.00 -0.64 0.00 0.00 41.12 39.83 2k5r n ASP 2 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2k5r n ARG 3 N 1.37 0.20 0.07 -1.24 1.85 -1.26 -1.10 116.66 116.56 2k5r n ARG 3 Ca 0.03 0.36 0.08 0.00 -1.00 0.00 0.00 57.85 57.32 2k5r n ARG 3 Cb 0.51 -1.84 -0.04 0.00 -1.05 0.00 0.00 32.46 30.04 2k5r n ARG 3 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2k5r n LYS 4 N -2.22 0.62 0.00 2.89 5.02 -1.26 -4.58 118.16 118.63 2k5r n LYS 4 Ca 0.03 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 2k5r n LYS 4 Cb 0.28 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 2k5r n LYS 4 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2k5r n LEU 5 N -2.69 0.53 0.00 -0.35 7.99 -0.52 -4.90 117.00 117.05 2k5r n LEU 5 Ca -0.03 0.39 0.00 0.00 -0.01 0.00 0.00 56.01 56.36 2k5r n LEU 5 Cb 0.63 -0.41 0.00 0.00 -0.11 0.00 0.00 43.42 43.54 2k5r n LEU 5 CO 0.41 -0.41 0.00 0.18 -1.51 0.00 0.00 177.39 176.06 2k5r n LEU 6 N -1.75 0.00 0.02 2.23 4.77 -0.25 -4.71 117.00 117.31 2k5r n LEU 6 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 2k5r n LEU 6 Cb 0.00 -0.18 0.45 0.00 -2.33 0.00 0.00 43.42 41.36 2k5r n LEU 6 CO 0.00 0.00 0.84 1.41 -1.33 0.00 0.00 177.39 178.31 2k5r n HIS 7 N -1.57 0.16 -2.25 -1.77 8.25 -1.26 -4.48 115.22 112.30 2k5r n HIS 7 Ca 0.00 0.05 -0.35 0.00 -0.26 0.00 0.00 57.72 57.16 2k5r n HIS 7 Cb 0.00 -0.59 -0.03 0.00 1.12 0.00 0.00 29.99 30.49 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 -1.64 3.96 0.25 2.41 7.99 -1.26 -4.73 117.00 123.99 2k5r n LEU 8 Ca 0.05 -3.51 0.10 0.00 -0.01 0.00 0.00 56.01 52.64 2k5r n LEU 8 Cb 0.26 -1.73 0.66 0.00 -0.11 0.00 0.00 43.42 42.50 2k5r n LEU 8 CO 0.20 -0.90 0.97 0.17 -1.51 0.00 0.00 177.39 176.32 2k5r h LEU 9 N 15.32 0.00 -8.18 2.23 -0.00 -2.01 -3.45 115.31 119.21 2k5r h LEU 9 Ca 0.33 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 58.16 2k5r h LEU 9 Cb 0.90 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.50 2k5r h LEU 9 CO 1.36 0.13 0.04 0.00 -0.00 0.00 0.00 178.44 179.96 2k5r s SER 11 N -3.04 5.94 0.00 0.00 0.01 -1.26 -4.91 113.70 110.44 2k5r s SER 11 Ca 0.19 -1.72 0.10 0.00 1.31 0.00 0.00 55.95 55.84 2k5r s SER 11 Cb -0.03 -2.11 0.58 0.00 0.21 0.00 0.00 66.02 64.67 2k5r s SER 11 CO 0.11 -0.72 1.10 -0.81 0.41 0.00 0.00 173.24 173.32 2k5r n PRO 12 N 5.08 0.64 0.11 12.44 -0.04 -1.26 -2.48 135.00 149.49 2k5r n PRO 12 Ca -0.11 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.48 2k5r n PRO 12 Cb 0.41 -1.24 0.31 0.00 -0.04 0.00 0.00 33.50 32.95 2k5r n PRO 12 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2k5r h ASP 13 N 0.00 0.00 0.58 3.54 3.58 -2.00 -3.31 116.42 118.81 2k5r h ASP 13 Ca 0.00 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2k5r h ASP 13 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2k5r h ASP 13 CO 0.00 0.02 0.00 0.35 -2.88 0.00 0.00 179.24 176.73 2k5r n THR 14 N -2.35 0.88 1.52 2.25 -2.24 -1.04 -1.79 114.28 111.51 2k5r n THR 14 Ca 0.05 0.32 0.15 0.00 -2.27 0.00 0.00 64.05 62.30 2k5r n THR 14 Cb 0.45 -1.26 0.67 0.00 -2.10 0.00 0.00 70.33 68.09 2k5r n THR 14 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2k5r n ARG 15 N -2.22 0.82 -2.35 -0.78 1.85 -1.25 -4.88 116.66 107.86 2k5r n ARG 15 Ca 0.01 -0.25 -0.30 0.00 -1.00 0.00 0.00 57.85 56.31 2k5r n ARG 15 Cb 0.19 -1.49 -0.01 0.00 -1.05 0.00 0.00 32.46 30.10 2k5r n ARG 15 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2k5r s GLN 16 N -2.35 3.67 1.21 2.89 -1.52 -0.74 -5.08 119.66 117.74 2k5r s GLN 16 Ca 0.33 0.58 -0.18 0.00 -1.95 0.00 0.00 55.36 54.14 2k5r s GLN 16 Cb 0.20 -2.23 0.29 0.00 -0.22 0.00 0.00 33.01 31.05 2k5r s GLN 16 CO 0.44 -0.32 1.06 -1.25 -0.25 0.00 0.00 175.29 174.97 2k5r s PRO 17 N -4.63 -1.25 0.36 2.91 0.04 -1.26 -4.94 135.00 126.22 2k5r s PRO 17 Ca 0.53 0.16 -0.16 0.00 0.04 0.00 0.00 61.00 61.57 2k5r s PRO 17 Cb -0.10 -1.57 -0.09 0.00 0.04 0.00 0.00 34.50 32.77 2k5r s PRO 17 CO 0.44 -3.78 0.79 -0.51 0.04 0.00 0.00 177.00 173.97 2k5r s LEU 18 N -7.06 4.01 0.34 -3.56 1.43 -1.26 -4.68 118.68 107.89 2k5r s LEU 18 Ca 0.69 1.35 0.10 0.00 -1.03 0.00 0.00 54.13 55.24 2k5r s LEU 18 Cb -0.13 -4.17 -0.06 0.00 0.03 0.00 0.00 46.19 41.85 2k5r s LEU 18 CO 0.58 -0.26 -0.08 -0.55 0.23 0.00 0.00 176.35 176.27 2k5r s SER 19 N -2.36 3.84 -0.05 2.29 0.15 -0.91 -4.96 113.70 111.70 2k5r s SER 19 Ca 0.56 -1.13 -0.30 0.00 0.70 0.00 0.00 55.95 55.77 2k5r s SER 19 Cb -0.10 -0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 63.78 2k5r s SER 19 CO 0.18 -0.19 1.30 -0.22 1.20 0.00 0.00 173.24 175.51 2k5r s LEU 20 N -3.63 4.28 -0.50 3.45 1.98 -1.26 -0.20 118.68 122.80 2k5r s LEU 20 Ca 0.33 1.92 -0.28 0.00 -2.89 0.00 0.00 54.13 53.21 2k5r s LEU 20 Cb 0.01 -3.56 0.02 0.00 0.66 0.00 0.00 46.19 43.32 2k5r s LEU 20 CO 0.17 -0.67 1.36 -0.22 -1.89 0.00 0.00 176.35 175.10 2k5r s LEU 21 N 2.51 3.50 0.24 -0.68 2.96 -0.23 -4.71 118.68 122.27 2k5r s LEU 21 Ca 0.59 0.49 -0.31 0.00 -0.22 0.00 0.00 54.13 54.69 2k5r s LEU 21 Cb -0.27 -3.31 -0.14 0.00 0.50 0.00 0.00 46.19 42.97 2k5r s LEU 21 CO 0.23 -1.53 1.24 1.21 -1.32 0.00 0.00 176.35 176.18 2k5r n GLU 22 N 8.33 1.64 -0.07 1.98 2.13 -1.26 -4.58 120.64 128.81 2k5r n GLU 22 Ca 0.14 0.58 0.19 0.00 0.66 0.00 0.00 57.16 58.72 2k5r n GLU 22 Cb 0.49 -2.12 0.62 0.00 0.27 0.00 0.00 31.44 30.69 2k5r n GLU 22 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 2k5r h SER 23 N 3.33 0.15 -0.27 4.31 0.02 -1.97 0.21 113.55 119.35 2k5r h SER 23 Ca -0.43 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 60.58 2k5r h SER 23 Cb 1.31 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.77 2k5r h SER 23 CO 0.70 0.08 -0.10 0.50 -1.14 0.00 0.00 176.83 176.87 2k5r h LYS 24 N 0.17 -0.04 -0.03 3.45 1.63 -2.02 -1.18 116.57 118.55 2k5r h LYS 24 Ca 0.31 0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.90 2k5r h LYS 24 Cb 0.97 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.61 2k5r h LYS 24 CO -0.05 -0.03 -0.87 0.78 -3.45 0.00 0.00 179.45 175.83 2k5r h GLY 25 N -0.04 0.46 0.75 5.01 0.00 -1.30 -3.33 103.07 104.62 2k5r h GLY 25 Ca 0.14 -0.75 0.08 0.00 0.00 0.00 0.00 47.33 46.79 2k5r h GLY 25 CO -0.30 0.67 0.60 -2.00 0.00 0.00 0.00 176.54 175.51 2k5r h LEU 26 N 0.25 0.91 -1.84 3.11 5.85 -0.30 -1.26 115.31 122.03 2k5r h LEU 26 Ca -0.06 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.69 2k5r h LEU 26 Cb 1.49 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 2k5r h LEU 26 CO 0.15 0.56 0.14 1.05 -0.34 0.00 0.00 178.44 180.00 2k5r h GLU 27 N 1.02 0.22 -0.98 1.25 4.11 -1.33 -1.52 114.58 117.35 2k5r h GLU 27 Ca 0.42 -0.01 0.04 0.00 0.07 0.00 0.00 59.36 59.87 2k5r h GLU 27 Cb 0.28 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 2k5r h GLU 27 CO -0.17 0.14 0.64 0.00 0.07 0.00 0.00 179.01 179.69 2k5r h ALA 28 N 1.88 1.29 0.14 1.06 0.00 -1.41 0.15 119.26 122.38 2k5r h ALA 28 Ca 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2k5r h ALA 28 Cb 0.06 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2k5r h ALA 28 CO -0.02 0.53 -0.07 -0.07 0.00 0.00 0.00 179.25 179.62 2k5r h LEU 29 N 1.24 -0.16 -0.38 0.00 -0.00 -1.36 -2.19 115.31 112.45 2k5r h LEU 29 Ca 0.39 -0.26 0.02 0.00 -0.00 0.00 0.00 57.88 58.03 2k5r h LEU 29 Cb -0.00 0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 40.67 2k5r h LEU 29 CO -0.12 0.19 0.21 0.78 -0.00 0.00 0.00 178.44 179.50 2k5r h ASN 30 N -0.53 0.33 -0.82 -0.43 2.35 -1.12 0.16 115.58 115.52 2k5r h ASN 30 Ca -0.02 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.76 2k5r h ASN 30 Cb 0.41 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.68 2k5r h ASN 30 CO 0.03 0.24 0.54 0.11 -1.65 0.00 0.00 177.43 176.70 2k5r h LYS 31 N 0.43 1.05 -0.26 0.81 1.57 -0.78 -0.73 116.57 118.66 2k5r h LYS 31 Ca 0.16 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 2k5r h LYS 31 Cb 0.03 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 2k5r h LYS 31 CO -0.09 0.70 -0.11 0.00 -0.57 0.00 0.00 179.45 179.39 2k5r h ALA 32 N 1.31 1.33 0.06 3.86 0.00 -0.74 -0.32 119.26 124.76 2k5r h ALA 32 Ca 0.31 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2k5r h ALA 32 Cb -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2k5r h ALA 32 CO -0.08 0.45 -0.03 0.82 0.00 0.00 0.00 179.25 180.41 2k5r h ILE 33 N 0.40 1.04 -0.43 0.00 2.04 0.20 0.37 117.51 121.13 2k5r h ILE 33 Ca 0.08 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 2k5r h ILE 33 Cb 0.43 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2k5r h ILE 33 CO 0.02 0.08 0.26 0.58 0.00 0.00 0.00 178.15 179.09 2k5r h VAL 34 N -0.22 1.12 0.00 1.67 2.07 -0.95 -0.18 116.25 119.77 2k5r h VAL 34 Ca -0.01 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 2k5r h VAL 34 Cb 0.19 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2k5r h VAL 34 CO 0.01 0.13 -0.44 -1.28 0.02 0.00 0.00 177.57 176.01 2k5r h SER 35 N 0.59 0.00 0.00 0.57 0.87 -0.81 -3.48 113.55 111.29 2k5r h SER 35 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2k5r h SER 35 Cb -0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2k5r h SER 35 CO -0.03 0.44 0.00 0.61 -0.53 0.00 0.00 176.83 177.32 2k5r n GLY 36 N 0.37 0.66 1.06 5.77 0.00 0.11 -4.97 105.19 108.19 2k5r n GLY 36 Ca -0.00 -0.75 0.08 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.03 2.02 -3.42 2.61 5.66 -0.38 -4.95 114.28 112.79 2k5r n THR 37 Ca 0.00 -1.55 -0.40 0.00 -3.05 0.00 0.00 64.05 59.05 2k5r n THR 37 Cb 0.20 -0.05 -0.09 0.00 -1.55 0.00 0.00 70.33 68.84 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 -2.30 5.18 -0.23 1.08 1.01 -1.25 -4.50 120.40 119.39 2k5r s VAL 38 Ca 0.41 0.10 -0.08 0.00 0.00 0.00 0.00 61.98 62.41 2k5r s VAL 38 Cb 0.30 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2k5r s VAL 38 CO 0.13 -0.04 0.10 -1.10 0.00 0.00 0.00 175.10 174.20 2k5r s GLN 39 N 1.99 3.88 0.98 2.72 -0.21 -1.26 -1.36 119.66 126.40 2k5r s GLN 39 Ca 0.12 -0.37 -0.12 0.00 0.02 0.00 0.00 55.36 55.00 2k5r s GLN 39 Cb -0.16 -3.37 0.18 0.00 1.00 0.00 0.00 33.01 30.65 2k5r s GLN 39 CO 0.11 0.01 1.11 0.50 -2.12 0.00 0.00 175.29 174.90 2k5r s ARG 40 N 1.12 0.57 0.45 2.91 3.52 0.50 -3.25 118.95 124.76 2k5r s ARG 40 Ca 0.05 0.41 0.22 0.00 -0.13 0.00 0.00 55.73 56.28 2k5r s ARG 40 Cb -0.14 -1.76 1.20 0.00 -1.56 0.00 0.00 34.95 32.69 2k5r s ARG 40 CO 0.04 -2.62 1.83 0.00 -0.81 0.00 0.00 175.30 173.75 2k5r h ALA 41 N -1.81 2.41 0.00 6.12 0.00 -1.40 0.14 119.26 124.72 2k5r h ALA 41 Ca -0.54 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 2k5r h ALA 41 Cb 1.33 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2k5r h ALA 41 CO 0.59 -0.72 -0.74 0.38 0.00 0.00 0.00 179.25 178.76 2k5r h ASP 42 N 0.29 0.00 0.00 0.00 2.03 -1.87 -3.48 116.42 113.39 2k5r h ASP 42 Ca 0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.80 2k5r h ASP 42 Cb 1.45 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.95 2k5r h ASP 42 CO -0.16 0.33 0.00 0.61 -1.03 0.00 0.00 179.24 178.98 2k5r n GLY 43 N 1.24 0.97 3.74 7.15 0.00 0.51 -5.11 105.19 113.69 2k5r n GLY 43 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.58 7.05 -0.34 1.61 0.15 -1.26 -4.58 113.70 115.74 2k5r s SER 44 Ca 0.00 2.32 -0.29 0.00 0.70 0.00 0.00 55.95 58.68 2k5r s SER 44 Cb 0.00 -2.62 -0.01 0.00 -1.71 0.00 0.00 66.02 61.69 2k5r s SER 44 CO 0.00 -0.38 1.57 -0.63 1.20 0.00 0.00 173.24 175.00 2k5r s ILE 45 N -0.35 3.74 -0.36 6.45 -1.09 -1.26 -0.37 121.20 127.96 2k5r s ILE 45 Ca 0.51 0.78 -0.29 0.00 -2.23 0.00 0.00 60.65 59.43 2k5r s ILE 45 Cb -0.34 -3.93 -0.00 0.00 -1.58 0.00 0.00 42.46 36.60 2k5r s ILE 45 CO 0.40 -0.55 1.55 -1.58 -1.23 0.00 0.00 174.94 173.53 2k5r s GLN 46 N 5.08 3.53 0.09 2.79 0.74 -0.46 -4.83 119.66 126.59 2k5r s GLN 46 Ca 0.69 1.17 0.23 0.00 0.05 0.00 0.00 55.36 57.50 2k5r s GLN 46 Cb -0.19 -4.07 0.03 0.00 1.10 0.00 0.00 33.01 29.88 2k5r s GLN 46 CO 0.32 -1.61 1.01 0.09 -0.55 0.00 0.00 175.29 174.54 2k5r n ASN 47 N 9.19 0.62 -4.59 6.67 5.03 -1.26 -4.72 115.26 126.20 2k5r n ASN 47 Ca 0.19 -0.01 -0.42 0.00 0.87 0.00 0.00 54.58 55.21 2k5r n ASN 47 Cb 0.47 0.75 -0.02 0.00 -1.02 0.00 0.00 39.78 39.96 2k5r n ASN 47 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2k5r s GLN 48 N -3.27 3.43 -0.38 3.52 -0.21 -1.26 -4.94 119.66 116.54 2k5r s GLN 48 Ca 0.02 0.71 -0.29 0.00 0.02 0.00 0.00 55.36 55.82 2k5r s GLN 48 Cb 0.13 -4.08 0.01 0.00 1.00 0.00 0.00 33.01 30.07 2k5r s GLN 48 CO 0.80 -1.76 1.33 -1.12 -2.12 0.00 0.00 175.29 172.41 2k5r s SER 49 N 4.27 6.51 -0.25 5.90 0.01 -1.26 -4.99 113.70 123.88 2k5r s SER 49 Ca 0.57 0.92 -0.26 0.00 1.31 0.00 0.00 55.95 58.50 2k5r s SER 49 Cb -0.12 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.57 2k5r s SER 49 CO 0.29 -1.27 0.88 -1.48 0.41 0.00 0.00 173.24 172.07 2k5r s LEU 50 N 4.89 4.08 0.29 2.44 0.05 -1.26 -4.93 118.68 124.24 2k5r s LEU 50 Ca 0.57 1.06 0.26 0.00 0.05 0.00 0.00 54.13 56.07 2k5r s LEU 50 Cb -0.14 -3.26 0.81 0.00 -2.05 0.00 0.00 46.19 41.55 2k5r s LEU 50 CO 0.29 -0.58 1.75 -0.74 -0.55 0.00 0.00 176.35 176.52 2k5r h HIS 51 N 7.70 0.00 -2.32 3.48 2.76 -1.94 -3.45 115.15 121.37 2k5r h HIS 51 Ca -0.22 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 57.87 2k5r h HIS 51 Cb 1.08 0.00 -0.20 0.00 1.55 0.00 0.00 27.41 29.84 2k5r h HIS 51 CO 0.76 0.00 0.03 -2.00 -1.30 0.00 0.00 177.93 175.42 2k5r s GLU 52 N -3.22 0.88 0.23 5.26 2.12 -1.26 -5.06 118.70 117.65 2k5r s GLU 52 Ca 0.08 0.28 -0.12 0.00 0.36 0.00 0.00 54.97 55.56 2k5r s GLU 52 Cb 0.10 0.41 -0.00 0.00 0.26 0.00 0.00 34.13 34.90 2k5r s GLU 52 CO 0.56 -0.24 0.44 0.00 -0.54 0.00 0.00 175.26 175.49 2k5r s ALA 53 N -0.88 -0.21 -0.18 6.30 0.00 -1.26 -0.75 121.76 124.78 2k5r s ALA 53 Ca -0.09 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 2k5r s ALA 53 Cb -0.02 1.04 -0.00 0.00 0.00 0.00 0.00 23.12 24.14 2k5r s ALA 53 CO 0.06 -0.81 -0.13 -0.51 0.00 0.00 0.00 175.76 174.37 2k5r s LEU 54 N -3.00 2.56 -0.12 0.00 1.43 0.46 -1.07 118.68 118.94 2k5r s LEU 54 Ca 0.21 -0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 52.79 2k5r s LEU 54 Cb 0.00 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 2k5r s LEU 54 CO 0.07 0.05 0.10 -0.51 0.23 0.00 0.00 176.35 176.29 2k5r s ILE 55 N 1.04 5.18 0.28 -0.59 1.10 0.72 -0.20 121.20 128.73 2k5r s ILE 55 Ca -0.01 0.09 -0.29 0.00 -0.51 0.00 0.00 60.65 59.93 2k5r s ILE 55 Cb -0.15 -3.25 -0.10 0.00 0.15 0.00 0.00 42.46 39.12 2k5r s ILE 55 CO -0.03 0.60 1.28 0.42 -2.11 0.00 0.00 174.94 175.11 2k5r s THR 56 N -0.89 2.98 0.45 4.00 -4.23 -0.97 -2.14 115.64 114.84 2k5r s THR 56 Ca 0.14 0.92 0.17 0.00 -1.18 0.00 0.00 61.69 61.73 2k5r s THR 56 Cb -0.12 -3.59 0.35 0.00 1.34 0.00 0.00 72.50 70.49 2k5r s THR 56 CO 0.03 0.19 1.96 0.03 -0.54 0.00 0.00 174.62 176.30 2k5r h ARG 57 N 4.12 0.32 -0.63 3.99 3.08 -1.90 0.55 114.38 123.91 2k5r h ARG 57 Ca -0.47 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2k5r h ARG 57 Cb 1.22 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2k5r h ARG 57 CO 0.70 0.21 0.00 -3.47 -1.07 0.00 0.00 179.97 176.34 2k5r n ASP 58 N -4.46 5.03 -3.40 7.04 2.03 -1.26 -4.97 116.55 116.55 2k5r n ASP 58 Ca 0.11 -2.57 -0.21 0.00 0.52 0.00 0.00 54.79 52.64 2k5r n ASP 58 Cb 0.47 -0.61 0.06 0.00 -0.72 0.00 0.00 41.12 40.32 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 1.00 -2.07 -0.06 -0.67 3.00 0.19 -4.97 116.66 113.08 2k5r n ARG 59 Ca 0.26 0.73 -0.12 0.00 -0.01 0.00 0.00 57.85 58.71 2k5r n ARG 59 Cb 0.97 -5.27 -0.04 0.00 0.00 0.00 0.00 32.46 28.12 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 -3.58 0.29 -4.34 5.56 4.76 -1.26 -4.80 118.16 114.79 2k5r n LYS 60 Ca -0.09 0.12 -0.21 0.00 -2.87 0.00 0.00 58.31 55.27 2k5r n LYS 60 Cb 0.61 -0.99 -0.11 0.00 -1.84 0.00 0.00 35.03 32.71 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 -2.31 1.30 -0.16 1.97 -0.21 -1.26 -1.73 119.66 117.26 2k5r s GLN 61 Ca -0.18 -1.48 0.00 0.00 0.02 0.00 0.00 55.36 53.72 2k5r s GLN 61 Cb 0.06 -1.26 0.03 0.00 1.00 0.00 0.00 33.01 32.84 2k5r s GLN 61 CO 0.24 0.24 -0.13 0.08 -2.12 0.00 0.00 175.29 173.60 2k5r s VAL 62 N -2.38 1.56 0.50 1.09 1.01 0.78 -2.29 120.40 120.66 2k5r s VAL 62 Ca 0.18 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.51 2k5r s VAL 62 Cb -0.04 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.86 2k5r s VAL 62 CO 0.07 0.40 0.69 -0.36 0.00 0.00 0.00 175.10 175.90 2k5r s PHE 63 N 1.48 2.78 0.26 5.22 0.40 0.72 -0.39 117.98 128.45 2k5r s PHE 63 Ca 0.04 -0.20 0.06 0.00 -0.60 0.00 0.00 56.93 56.24 2k5r s PHE 63 Cb -0.13 -2.59 -0.06 0.00 0.51 0.00 0.00 43.02 40.75 2k5r s PHE 63 CO -0.10 -0.71 -0.07 -0.98 0.70 0.00 0.00 175.22 174.06 2k5r s ARG 64 N -4.60 1.50 -0.21 0.44 1.70 -1.25 -0.40 118.95 116.12 2k5r s ARG 64 Ca 0.57 -1.75 0.01 0.00 -0.47 0.00 0.00 55.73 54.09 2k5r s ARG 64 Cb -0.10 -1.10 0.05 0.00 -0.57 0.00 0.00 34.95 33.22 2k5r s ARG 64 CO 0.36 0.05 -0.11 0.42 -1.08 0.00 0.00 175.30 174.94 2k5r s ILE 65 N -3.04 1.79 -0.10 4.99 1.01 0.07 -0.85 121.20 125.06 2k5r s ILE 65 Ca 0.28 -1.16 0.02 0.00 0.00 0.00 0.00 60.65 59.80 2k5r s ILE 65 Cb 0.03 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 2k5r s ILE 65 CO 0.11 0.14 -0.18 -1.83 0.00 0.00 0.00 174.94 173.18 2k5r s GLU 66 N 1.32 3.07 -1.47 2.79 -1.05 -0.64 -4.32 118.70 118.41 2k5r s GLU 66 Ca -0.03 -0.77 -0.08 0.00 -0.15 0.00 0.00 54.97 53.95 2k5r s GLU 66 Cb -0.17 -2.45 0.03 0.00 -0.44 0.00 0.00 34.13 31.10 2k5r s GLU 66 CO -0.08 0.28 0.79 -3.47 0.95 0.00 0.00 175.26 173.74 2k5r n ASP 67 N 3.28 -5.67 -0.58 0.83 2.03 -1.26 -0.73 116.55 114.45 2k5r n ASP 67 Ca -0.18 -0.43 -0.08 0.00 0.52 0.00 0.00 54.79 54.62 2k5r n ASP 67 Cb 0.53 -4.55 -0.03 0.00 -0.72 0.00 0.00 41.12 36.34 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 -2.66 -4.59 -4.38 1.67 7.64 -1.26 -5.00 113.62 105.04 2k5r n SER 68 Ca -0.05 0.19 -0.37 0.00 1.01 0.00 0.00 58.87 59.65 2k5r n SER 68 Cb 0.58 -2.76 -0.13 0.00 -1.01 0.00 0.00 64.21 60.89 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 -2.06 4.07 -0.38 0.44 -1.09 0.09 -5.07 121.20 117.20 2k5r s ILE 69 Ca 0.00 -0.52 -0.28 0.00 -2.23 0.00 0.00 60.65 57.62 2k5r s ILE 69 Cb 0.00 -3.03 -0.02 0.00 -1.58 0.00 0.00 42.46 37.84 2k5r s ILE 69 CO 0.00 0.17 1.78 -2.84 -1.23 0.00 0.00 174.94 172.82 2k5r s PRO 70 N 1.54 3.24 -0.58 2.79 0.02 -1.26 -1.62 135.00 139.13 2k5r s PRO 70 Ca 0.04 1.27 -0.26 0.00 0.02 0.00 0.00 61.00 62.07 2k5r s PRO 70 Cb -0.16 -4.21 0.04 0.00 0.02 0.00 0.00 34.50 30.18 2k5r s PRO 70 CO 0.03 -1.97 1.06 0.08 -0.33 0.00 0.00 177.00 175.86 2k5r s VAL 71 N 7.13 4.20 -2.32 3.83 1.01 -0.03 -4.87 120.40 129.35 2k5r s VAL 71 Ca 0.76 0.45 0.21 0.00 0.00 0.00 0.00 61.98 63.41 2k5r s VAL 71 Cb -0.20 -4.65 0.44 0.00 0.00 0.00 0.00 36.38 31.97 2k5r s VAL 71 CO 0.32 -1.28 1.47 0.18 0.00 0.00 0.00 175.10 175.79 2k5r n LEU 72 N 7.97 2.32 -4.66 3.92 4.77 -1.26 -3.93 117.00 126.12 2k5r n LEU 72 Ca 0.04 -1.00 -0.42 0.00 -0.03 0.00 0.00 56.01 54.60 2k5r n LEU 72 Cb 0.48 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 2k5r n LEU 72 CO 0.67 0.50 1.58 -0.76 -1.33 0.00 0.00 177.39 178.05 2k5r s LEU 73 N -1.49 4.43 0.41 2.23 1.43 -1.26 -4.88 118.68 119.55 2k5r s LEU 73 Ca 0.34 2.68 0.11 0.00 -1.03 0.00 0.00 54.13 56.23 2k5r s LEU 73 Cb 0.19 -3.53 0.93 0.00 0.03 0.00 0.00 46.19 43.80 2k5r s LEU 73 CO 0.27 -1.05 1.97 -0.65 0.23 0.00 0.00 176.35 177.13 2k5r h PRO 74 N 10.37 0.51 0.00 1.29 0.11 -1.99 0.06 132.00 142.35 2k5r h PRO 74 Ca -0.49 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 2k5r h PRO 74 Cb 1.23 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2k5r h PRO 74 CO 0.94 0.34 -0.02 1.05 -0.21 0.00 0.00 178.00 180.10 2k5r h GLU 75 N 0.53 0.00 -0.30 1.05 4.11 -1.97 -2.03 114.58 115.96 2k5r h GLU 75 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.72 2k5r h GLU 75 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2k5r h GLU 75 CO -0.09 0.02 0.00 -1.91 0.07 0.00 0.00 179.01 177.10 2k5r n GLU 76 N -3.24 2.09 -2.83 1.06 4.07 0.01 -3.79 120.64 118.00 2k5r n GLU 76 Ca -0.02 -1.65 -0.43 0.00 -0.06 0.00 0.00 57.16 55.00 2k5r n GLU 76 Cb 0.14 -1.44 -0.04 0.00 -0.06 0.00 0.00 31.44 30.04 2k5r n GLU 76 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k5r s ALA 77 N -1.61 3.33 0.30 4.31 0.00 -0.76 -4.51 121.76 122.82 2k5r s ALA 77 Ca 0.35 -0.64 -0.27 0.00 0.00 0.00 0.00 51.96 51.40 2k5r s ALA 77 Cb 0.19 -3.57 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 2k5r s ALA 77 CO 0.27 -1.81 0.96 0.42 0.00 0.00 0.00 175.76 175.61 2k5r s ILE 78 N 3.56 4.11 -0.33 0.00 1.09 0.47 -1.63 121.20 128.47 2k5r s ILE 78 Ca 0.37 1.86 -0.25 0.00 -1.10 0.00 0.00 60.65 61.53 2k5r s ILE 78 Cb -0.11 -4.08 0.01 0.00 -1.06 0.00 0.00 42.46 37.22 2k5r s ILE 78 CO 0.22 0.25 0.88 0.00 -0.10 0.00 0.00 174.94 176.18 2k5r s ALA 79 N -1.47 3.48 0.25 9.38 0.00 -1.20 -0.16 121.76 132.04 2k5r s ALA 79 Ca 0.48 -0.39 -0.05 0.00 0.00 0.00 0.00 51.96 52.00 2k5r s ALA 79 Cb -0.21 -3.44 0.30 0.00 0.00 0.00 0.00 23.12 19.76 2k5r s ALA 79 CO 0.27 -1.39 1.91 1.79 0.00 0.00 0.00 175.76 178.33 2k5r h THR 80 N 5.70 1.19 0.00 0.00 1.35 -1.65 -2.17 112.91 117.34 2k5r h THR 80 Ca -0.23 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 2k5r h THR 80 Cb 1.08 -0.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.32 2k5r h THR 80 CO 0.94 0.23 0.00 -0.29 -0.25 0.00 0.00 175.52 176.15 2k5r h ILE 81 N 1.26 0.00 0.00 6.82 6.09 -1.87 -0.43 117.51 129.37 2k5r h ILE 81 Ca 0.38 -0.02 -0.07 0.00 -1.37 0.00 0.00 64.86 63.79 2k5r h ILE 81 Cb -0.04 0.54 -0.01 0.00 0.47 0.00 0.00 36.82 37.77 2k5r h ILE 81 CO -0.11 0.00 -1.47 1.67 -3.07 0.00 0.00 178.15 175.17 2k5r n GLN 82 N -2.30 0.63 -2.00 2.19 -0.06 -0.82 -4.89 117.38 110.13 2k5r n GLN 82 Ca -0.01 0.05 -0.41 0.00 -2.00 0.00 0.00 57.00 54.63 2k5r n GLN 82 Cb 0.05 -1.72 -0.03 0.00 -4.06 0.00 0.00 30.24 24.48 2k5r n GLN 82 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2k5r s ILE 83 N -3.24 3.42 0.47 1.69 -1.09 -0.17 -4.85 121.20 117.43 2k5r s ILE 83 Ca -0.04 0.38 0.24 0.00 -2.23 0.00 0.00 60.65 59.00 2k5r s ILE 83 Cb 0.10 -3.74 0.28 0.00 -1.58 0.00 0.00 42.46 37.53 2k5r s ILE 83 CO 0.83 -0.58 2.10 0.00 -1.23 0.00 0.00 174.94 176.06 2k5r h ALA 84 N 13.87 1.46 -0.27 9.38 0.00 -1.87 -2.49 119.26 139.35 2k5r h ALA 84 Ca -0.30 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2k5r h ALA 84 Cb 1.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2k5r h ALA 84 CO 1.11 0.13 0.00 0.09 0.00 0.00 0.00 179.25 180.57 2k5r n ASN 85 N -3.88 2.88 -4.64 0.00 5.03 -1.26 -4.94 115.26 108.45 2k5r n ASN 85 Ca -0.02 -1.91 -0.43 0.00 0.87 0.00 0.00 54.58 53.09 2k5r n ASN 85 Cb 0.20 -0.17 -0.03 0.00 -1.02 0.00 0.00 39.78 38.76 2k5r n ASN 85 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 2k5r s PHE 86 N -1.66 1.88 -0.08 3.10 5.36 -0.94 -4.82 117.98 120.82 2k5r s PHE 86 Ca 0.36 0.36 -0.30 0.00 -0.96 0.00 0.00 56.93 56.38 2k5r s PHE 86 Cb 0.21 -3.99 -0.02 0.00 -0.34 0.00 0.00 43.02 38.88 2k5r s PHE 86 CO 0.30 -3.56 1.09 -1.25 -1.46 0.00 0.00 175.22 170.34 2k5r s PRO 87 N 4.70 4.40 0.34 10.12 0.04 -1.26 -5.02 135.00 148.31 2k5r s PRO 87 Ca 0.77 1.51 -0.27 0.00 0.04 0.00 0.00 61.00 63.05 2k5r s PRO 87 Cb -0.30 -3.54 -0.09 0.00 0.04 0.00 0.00 34.50 30.61 2k5r s PRO 87 CO 0.31 -0.36 1.14 -0.51 0.04 0.00 0.00 177.00 177.62 2k5r s ASP 88 N 1.25 6.90 0.65 6.66 1.01 -1.26 -5.04 116.67 126.84 2k5r s ASP 88 Ca 0.52 2.32 -0.12 0.00 0.71 0.00 0.00 52.55 55.97 2k5r s ASP 88 Cb -0.21 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.09 2k5r s ASP 88 CO 0.20 -0.41 1.05 -0.75 0.21 0.00 0.00 175.17 175.47 2k5r s LYS 89 N -1.91 3.16 -1.16 8.23 2.20 -1.26 -4.93 119.74 124.07 2k5r s LYS 89 Ca 0.51 0.99 -0.21 0.00 -0.36 0.00 0.00 55.97 56.89 2k5r s LYS 89 Cb -0.31 -2.02 -0.00 0.00 -1.51 0.00 0.00 37.83 33.99 2k5r s LYS 89 CO 0.40 -0.92 1.79 -0.51 -0.36 0.00 0.00 175.35 175.75 2k5r s LEU 90 N -5.18 3.42 -0.16 5.43 2.01 -1.26 -4.83 118.68 118.11 2k5r s LEU 90 Ca 0.59 -1.79 -0.32 0.00 0.01 0.00 0.00 54.13 52.62 2k5r s LEU 90 Cb -0.14 -2.58 0.14 0.00 0.01 0.00 0.00 46.19 43.62 2k5r s LEU 90 CO 0.49 -2.09 1.13 -1.83 1.01 0.00 0.00 176.35 175.06 2k5r s GLU 91 N 5.49 0.42 -0.81 1.70 -1.05 -1.26 -4.93 118.70 118.26 2k5r s GLU 91 Ca 0.60 -0.08 -0.15 0.00 -0.15 0.00 0.00 54.97 55.18 2k5r s GLU 91 Cb 0.00 0.19 0.19 0.00 -0.44 0.00 0.00 34.13 34.07 2k5r s GLU 91 CO 0.06 -0.17 0.82 -1.01 0.95 0.00 0.00 175.26 175.91 2k5r s HIS 92 N -2.10 3.54 -0.08 4.83 3.76 -1.26 -4.79 115.29 119.18 2k5r s HIS 92 Ca 0.06 -1.74 0.12 0.00 -0.15 0.00 0.00 55.06 53.35 2k5r s HIS 92 Cb -0.01 -3.93 0.19 0.00 1.11 0.00 0.00 32.58 29.94 2k5r s HIS 92 CO -0.05 -1.12 1.09 1.58 -0.85 0.00 0.00 174.74 175.39 2k5r n HIS 93 N 4.76 0.00 -1.49 1.40 -0.00 -1.26 -4.41 115.22 114.22 2k5r n HIS 93 Ca 0.12 -0.79 -0.45 0.00 -0.00 0.00 0.00 57.72 56.59 2k5r n HIS 93 Cb 0.47 -0.11 -0.07 0.00 -0.00 0.00 0.00 29.99 30.28 2k5r n HIS 93 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k5r n HIS 94 N -1.07 1.48 -3.82 1.57 -0.00 -1.26 -4.94 115.22 107.18 2k5r n HIS 94 Ca 0.10 0.20 -0.12 0.00 0.46 0.00 0.00 57.72 58.36 2k5r n HIS 94 Cb 0.52 -2.56 -0.12 0.00 -0.12 0.00 0.00 29.99 27.72 2k5r n HIS 94 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2k5r s HIS 95 N 8.69 -0.16 -0.20 1.57 3.76 -1.26 -5.17 115.29 122.52 2k5r s HIS 95 Ca 1.09 0.37 -0.14 0.00 -0.15 0.00 0.00 55.06 56.23 2k5r s HIS 95 Cb -0.70 0.05 0.06 0.00 1.11 0.00 0.00 32.58 33.10 2k5r s HIS 95 CO 0.42 -0.15 0.51 -1.58 -0.85 0.00 0.00 174.74 173.10 2k5r s HIS 96 N -0.25 -0.70 -2.66 1.40 2.46 -1.26 -5.26 115.29 109.03 2k5r s HIS 96 Ca -0.03 1.52 0.27 0.00 0.47 0.00 0.00 55.06 57.28 2k5r s HIS 96 Cb -0.03 0.32 0.77 0.00 -0.13 0.00 0.00 32.58 33.52 2k5r s HIS 96 CO 0.01 -0.36 1.59 0.72 -2.47 0.00 0.00 174.74 174.23