#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 1.72 -0.11 6.12 1.11 -1.26 -5.05 116.67 119.20 2k5r s ASP 2 Ca 0.00 -1.25 0.14 0.00 0.18 0.00 0.00 52.55 51.62 2k5r s ASP 2 Cb 0.00 0.03 -0.21 0.00 1.07 0.00 0.00 42.92 43.82 2k5r s ASP 2 CO 0.00 -0.55 0.15 -2.11 1.18 0.00 0.00 175.17 173.83 2k5r n ARG 3 N -0.43 1.22 -0.06 8.23 0.00 -1.26 -4.44 116.66 119.93 2k5r n ARG 3 Ca -0.04 -0.05 -0.03 0.00 -0.00 0.00 0.00 57.85 57.73 2k5r n ARG 3 Cb 0.64 -1.38 0.21 0.00 -0.00 0.00 0.00 32.46 31.93 2k5r n ARG 3 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 2k5r h LYS 4 N 0.00 0.68 0.00 2.89 2.10 -2.01 -1.77 116.57 118.46 2k5r h LYS 4 Ca -0.28 -0.17 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2k5r h LYS 4 Cb 1.55 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.80 2k5r h LYS 4 CO 0.02 0.71 0.00 1.28 -2.00 0.00 0.00 179.45 179.45 2k5r n LEU 5 N -4.23 0.00 0.06 7.07 7.99 -1.26 -1.53 117.00 125.10 2k5r n LEU 5 Ca 0.02 0.15 0.11 0.00 -0.01 0.00 0.00 56.01 56.29 2k5r n LEU 5 Cb 0.29 -0.15 -0.01 0.00 -0.11 0.00 0.00 43.42 43.43 2k5r n LEU 5 CO 0.41 -0.08 -0.10 0.18 -1.51 0.00 0.00 177.39 176.28 2k5r n LEU 6 N -1.15 0.62 -0.13 2.23 4.77 -0.67 -4.54 117.00 118.13 2k5r n LEU 6 Ca 0.09 0.17 -0.26 0.00 -0.03 0.00 0.00 56.01 55.98 2k5r n LEU 6 Cb 0.08 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.02 2k5r n LEU 6 CO 0.10 -0.08 -1.29 1.41 -1.33 0.00 0.00 177.39 176.20 2k5r n HIS 7 N -2.37 0.04 -2.09 -1.77 8.25 -0.58 -4.85 115.22 111.85 2k5r n HIS 7 Ca 0.00 0.02 -0.36 0.00 -0.26 0.00 0.00 57.72 57.11 2k5r n HIS 7 Cb 0.51 -0.91 -0.03 0.00 1.12 0.00 0.00 29.99 30.68 2k5r n HIS 7 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2k5r s LEU 8 N -7.60 3.26 0.00 2.41 2.01 -0.69 -4.98 118.68 113.09 2k5r s LEU 8 Ca -0.37 0.03 -0.08 0.00 0.01 0.00 0.00 54.13 53.72 2k5r s LEU 8 Cb 0.13 -2.54 0.18 0.00 0.01 0.00 0.00 46.19 43.97 2k5r s LEU 8 CO 0.48 -2.40 1.14 0.00 1.01 0.00 0.00 176.35 176.58 2k5r n LEU 9 N 12.69 0.00 -4.81 1.79 -0.00 -1.26 -4.84 117.00 120.57 2k5r n LEU 9 Ca 0.24 -1.74 -0.38 0.00 -0.00 0.00 0.00 56.01 54.12 2k5r n LEU 9 Cb 0.51 -0.81 -0.06 0.00 -0.00 0.00 0.00 43.42 43.06 2k5r n LEU 9 CO 0.69 -1.20 0.13 0.00 -0.00 0.00 0.00 177.39 177.01 2k5r s SER 11 N -0.67 4.31 0.37 0.00 0.01 -1.26 -4.97 113.70 111.49 2k5r s SER 11 Ca 0.24 -2.55 0.18 0.00 1.31 0.00 0.00 55.95 55.13 2k5r s SER 11 Cb -0.16 -1.46 0.97 0.00 0.21 0.00 0.00 66.02 65.58 2k5r s SER 11 CO 0.13 -0.30 1.49 -0.65 0.41 0.00 0.00 173.24 174.31 2k5r h PRO 12 N 7.03 0.00 -0.01 12.44 0.11 -1.98 -0.67 132.00 148.92 2k5r h PRO 12 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2k5r h PRO 12 Cb 0.95 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 2k5r h PRO 12 CO 0.58 0.00 0.09 -0.44 -0.21 0.00 0.00 178.00 178.02 2k5r h ASP 13 N 0.00 0.00 1.61 -2.05 5.19 -2.02 0.95 116.42 120.10 2k5r h ASP 13 Ca 0.00 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.35 2k5r h ASP 13 Cb 0.44 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 2k5r h ASP 13 CO 0.00 0.00 -0.30 0.71 -3.12 0.00 0.00 179.24 176.53 2k5r h THR 14 N 0.00 0.54 -5.22 0.35 1.35 -1.56 -3.49 112.91 104.88 2k5r h THR 14 Ca 0.01 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.17 2k5r h THR 14 Cb 0.18 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 2k5r h THR 14 CO -0.00 0.30 -0.51 -1.14 -0.25 0.00 0.00 175.52 173.91 2k5r n ARG 15 N -3.20 -2.39 -4.92 4.72 0.63 0.33 -5.06 116.66 106.76 2k5r n ARG 15 Ca 0.02 2.13 -0.27 0.00 -0.92 0.00 0.00 57.85 58.82 2k5r n ARG 15 Cb 0.63 -5.58 -0.16 0.00 0.45 0.00 0.00 32.46 27.80 2k5r n ARG 15 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2k5r s GLN 16 N -2.52 1.80 0.00 -0.14 -0.21 -1.26 -5.02 119.66 112.30 2k5r s GLN 16 Ca 0.23 -0.67 0.20 0.00 0.02 0.00 0.00 55.36 55.14 2k5r s GLN 16 Cb -0.06 -1.61 0.89 0.00 1.00 0.00 0.00 33.01 33.23 2k5r s GLN 16 CO 0.75 0.32 1.62 -0.35 -2.12 0.00 0.00 175.29 175.51 2k5r n PRO 17 N 2.94 0.11 -4.58 2.91 -0.04 -1.26 -4.70 135.00 130.38 2k5r n PRO 17 Ca -0.17 0.14 -0.23 0.00 -0.04 0.00 0.00 63.50 63.20 2k5r n PRO 17 Cb 0.53 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.33 2k5r n PRO 17 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2k5r s LEU 18 N -2.84 1.81 0.31 1.53 1.43 -1.26 -1.43 118.68 118.22 2k5r s LEU 18 Ca 0.13 -0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.01 2k5r s LEU 18 Cb 0.13 -0.74 -0.03 0.00 0.03 0.00 0.00 46.19 45.58 2k5r s LEU 18 CO 0.33 0.09 0.21 -0.44 0.23 0.00 0.00 176.35 176.78 2k5r s SER 19 N 0.21 1.44 0.23 2.29 0.01 -0.70 -4.97 113.70 112.21 2k5r s SER 19 Ca -0.05 -1.64 -0.30 0.00 1.31 0.00 0.00 55.95 55.27 2k5r s SER 19 Cb -0.11 0.49 -0.09 0.00 0.21 0.00 0.00 66.02 66.52 2k5r s SER 19 CO 0.01 -0.98 1.38 -0.22 0.41 0.00 0.00 173.24 173.85 2k5r s LEU 20 N -3.35 4.40 0.06 2.44 1.98 -1.26 0.29 118.68 123.25 2k5r s LEU 20 Ca 0.38 2.54 -0.33 0.00 -2.89 0.00 0.00 54.13 53.84 2k5r s LEU 20 Cb 0.04 -3.62 -0.12 0.00 0.66 0.00 0.00 46.19 43.15 2k5r s LEU 20 CO 0.22 -0.62 1.80 -0.11 -1.89 0.00 0.00 176.35 175.75 2k5r n LEU 21 N 2.45 3.66 -4.69 -0.68 7.94 0.20 -4.48 117.00 121.40 2k5r n LEU 21 Ca 0.06 1.00 -0.44 0.00 -1.11 0.00 0.00 56.01 55.53 2k5r n LEU 21 Cb 0.41 -1.47 -0.03 0.00 0.53 0.00 0.00 43.42 42.86 2k5r n LEU 21 CO 0.59 0.01 1.37 1.21 -1.11 0.00 0.00 177.39 179.46 2k5r n GLU 22 N 5.56 2.58 -0.19 1.96 2.13 -1.26 -4.79 120.64 126.63 2k5r n GLU 22 Ca 0.19 0.93 0.15 0.00 0.66 0.00 0.00 57.16 59.10 2k5r n GLU 22 Cb 0.33 -2.78 0.48 0.00 0.27 0.00 0.00 31.44 29.75 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 7.35 0.44 -0.45 4.31 4.64 -1.99 0.67 113.55 128.52 2k5r h SER 23 Ca -0.45 0.03 0.07 0.00 -0.47 0.00 0.00 61.79 60.97 2k5r h SER 23 Cb 1.23 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 63.20 2k5r h SER 23 CO 0.94 0.22 0.08 0.11 -0.87 0.00 0.00 176.83 177.31 2k5r h LYS 24 N 0.46 0.21 0.01 4.77 1.79 -2.02 -2.46 116.57 119.32 2k5r h LYS 24 Ca 0.40 -0.01 -0.22 0.00 -2.18 0.00 0.00 60.65 58.64 2k5r h LYS 24 Cb 0.87 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.47 2k5r h LYS 24 CO -0.14 0.14 -0.93 0.78 -1.08 0.00 0.00 179.45 178.22 2k5r h GLY 25 N 0.21 0.35 0.29 3.86 0.00 -1.34 -3.36 103.07 103.09 2k5r h GLY 25 Ca 0.22 -0.63 0.08 0.00 0.00 0.00 0.00 47.33 47.00 2k5r h GLY 25 CO -0.30 0.56 0.00 -2.00 0.00 0.00 0.00 176.54 174.81 2k5r h LEU 26 N 0.17 -0.17 -1.71 3.11 5.85 -0.50 0.70 115.31 122.77 2k5r h LEU 26 Ca -0.07 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2k5r h LEU 26 Cb 1.56 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.77 2k5r h LEU 26 CO 0.15 -0.05 -0.16 1.05 -0.34 0.00 0.00 178.44 179.09 2k5r h GLU 27 N 0.12 0.00 -0.07 1.25 4.11 -1.66 -2.46 114.58 115.86 2k5r h GLU 27 Ca 0.22 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.41 2k5r h GLU 27 Cb 0.31 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.58 2k5r h GLU 27 CO -0.36 0.16 -0.90 0.00 0.07 0.00 0.00 179.01 177.98 2k5r h ALA 28 N 1.84 0.27 0.17 1.06 0.00 -1.10 -3.11 119.26 118.39 2k5r h ALA 28 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2k5r h ALA 28 Cb 0.29 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2k5r h ALA 28 CO 0.02 0.71 -0.15 -0.07 0.00 0.00 0.00 179.25 179.75 2k5r h LEU 29 N 0.43 -0.40 -0.82 0.00 -0.00 -0.59 -2.21 115.31 111.71 2k5r h LEU 29 Ca -0.08 0.04 0.07 0.00 -0.00 0.00 0.00 57.88 57.90 2k5r h LEU 29 Cb 1.53 0.14 -0.06 0.00 -0.00 0.00 0.00 40.66 42.26 2k5r h LEU 29 CO 0.18 -0.23 0.49 0.78 -0.00 0.00 0.00 178.44 179.66 2k5r h ASN 30 N -0.34 0.75 -0.38 -0.43 2.35 -1.55 -0.23 115.58 115.76 2k5r h ASN 30 Ca -0.00 0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.81 2k5r h ASN 30 Cb 0.32 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 2k5r h ASN 30 CO -0.03 0.47 0.18 0.11 -1.65 0.00 0.00 177.43 176.50 2k5r h LYS 31 N 0.88 0.35 -0.46 0.81 1.57 -1.45 -1.50 116.57 116.77 2k5r h LYS 31 Ca 0.37 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 59.05 2k5r h LYS 31 Cb 0.23 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2k5r h LYS 31 CO -0.20 0.23 -0.05 0.00 -0.57 0.00 0.00 179.45 178.86 2k5r h ALA 32 N 1.21 1.04 -0.34 3.86 0.00 -0.69 -1.11 119.26 123.24 2k5r h ALA 32 Ca 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k5r h ALA 32 Cb 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2k5r h ALA 32 CO -0.13 0.59 0.22 0.82 0.00 0.00 0.00 179.25 180.75 2k5r h ILE 33 N 0.73 1.09 -0.50 0.00 2.04 -0.77 -1.88 117.51 118.22 2k5r h ILE 33 Ca 0.13 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 2k5r h ILE 33 Cb 0.52 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2k5r h ILE 33 CO 0.03 0.08 0.25 0.58 0.00 0.00 0.00 178.15 179.09 2k5r h VAL 34 N 0.46 1.17 0.00 1.67 2.07 -0.99 -1.28 116.25 119.34 2k5r h VAL 34 Ca 0.12 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 2k5r h VAL 34 Cb -0.05 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2k5r h VAL 34 CO -0.03 0.19 -0.12 -1.28 0.02 0.00 0.00 177.57 176.36 2k5r h SER 35 N 0.70 0.00 -0.03 0.57 0.87 -0.59 -3.46 113.55 111.60 2k5r h SER 35 Ca 0.18 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 2k5r h SER 35 Cb 0.06 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 2k5r h SER 35 CO -0.03 0.12 -0.01 0.61 -0.53 0.00 0.00 176.83 176.99 2k5r n GLY 36 N -0.90 0.48 0.75 5.77 0.00 -0.48 -4.91 105.19 105.90 2k5r n GLY 36 Ca -0.02 -0.48 0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.94 0.11 -3.39 2.61 5.66 -1.22 -4.87 114.28 110.24 2k5r n THR 37 Ca -0.01 -0.42 -0.38 0.00 -3.05 0.00 0.00 64.05 60.19 2k5r n THR 37 Cb 0.04 0.88 -0.06 0.00 -1.55 0.00 0.00 70.33 69.64 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 -1.89 5.03 0.06 1.08 1.01 -1.26 -4.81 120.40 119.62 2k5r s VAL 38 Ca 0.34 0.96 0.06 0.00 0.00 0.00 0.00 61.98 63.33 2k5r s VAL 38 Cb 0.20 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2k5r s VAL 38 CO 0.31 0.48 -0.10 -1.10 0.00 0.00 0.00 175.10 174.69 2k5r s GLN 39 N -0.46 2.27 0.40 2.72 -0.21 -1.26 -0.51 119.66 122.61 2k5r s GLN 39 Ca 0.26 -0.91 -0.04 0.00 0.02 0.00 0.00 55.36 54.69 2k5r s GLN 39 Cb -0.17 -2.36 -0.04 0.00 1.00 0.00 0.00 33.01 31.45 2k5r s GLN 39 CO 0.13 0.55 0.67 0.50 -2.12 0.00 0.00 175.29 175.02 2k5r s ARG 40 N -1.80 3.56 0.00 2.91 3.52 0.52 -4.26 118.95 123.41 2k5r s ARG 40 Ca 0.19 0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.82 2k5r s ARG 40 Cb -0.11 -2.52 0.02 0.00 -1.56 0.00 0.00 34.95 30.79 2k5r s ARG 40 CO 0.10 -0.00 0.89 0.00 -0.81 0.00 0.00 175.30 175.48 2k5r n ALA 41 N -1.77 1.15 0.11 6.12 0.00 -1.16 -0.59 120.51 124.37 2k5r n ALA 41 Ca -0.01 -0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.51 2k5r n ALA 41 Cb 0.55 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 19.00 2k5r n ALA 41 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2k5r h ASP 42 N 0.00 0.00 0.00 0.00 2.03 -1.88 -3.48 116.42 113.08 2k5r h ASP 42 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k5r h ASP 42 Cb 0.01 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.51 2k5r h ASP 42 CO 0.00 0.18 0.00 0.61 -1.03 0.00 0.00 179.24 179.00 2k5r n GLY 43 N 1.22 0.92 4.01 7.15 0.00 0.24 -5.12 105.19 113.62 2k5r n GLY 43 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.12 4.91 -0.04 1.61 0.15 -1.25 -4.85 113.70 113.11 2k5r s SER 44 Ca 0.00 -0.56 -0.15 0.00 0.70 0.00 0.00 55.95 55.94 2k5r s SER 44 Cb 0.00 -0.02 -0.05 0.00 -1.71 0.00 0.00 66.02 64.24 2k5r s SER 44 CO 0.00 -1.45 0.41 -0.63 1.20 0.00 0.00 173.24 172.78 2k5r s ILE 45 N -2.81 5.09 -0.15 6.45 -1.09 -1.26 -0.35 121.20 127.08 2k5r s ILE 45 Ca 0.62 0.83 -0.29 0.00 -2.23 0.00 0.00 60.65 59.58 2k5r s ILE 45 Cb -0.06 -3.73 -0.01 0.00 -1.58 0.00 0.00 42.46 37.08 2k5r s ILE 45 CO 0.40 0.50 1.09 -1.58 -1.23 0.00 0.00 174.94 174.12 2k5r s GLN 46 N -0.53 4.33 -0.00 2.79 2.00 0.34 -4.81 119.66 123.77 2k5r s GLN 46 Ca 0.23 1.47 0.03 0.00 -2.00 0.00 0.00 55.36 55.09 2k5r s GLN 46 Cb -0.16 -3.61 -0.03 0.00 0.80 0.00 0.00 33.01 30.01 2k5r s GLN 46 CO 0.12 -0.50 0.09 0.09 -0.50 0.00 0.00 175.29 174.59 2k5r n ASN 47 N 5.72 1.81 -4.63 6.67 5.03 -1.26 -4.71 115.26 123.89 2k5r n ASN 47 Ca 0.11 -0.34 -0.40 0.00 0.87 0.00 0.00 54.58 54.82 2k5r n ASN 47 Cb 0.47 1.05 -0.07 0.00 -1.02 0.00 0.00 39.78 40.21 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 -1.63 4.11 0.90 3.52 -0.21 -1.26 -4.92 119.66 120.17 2k5r s GLN 48 Ca 0.00 0.39 -0.12 0.00 0.02 0.00 0.00 55.36 55.65 2k5r s GLN 48 Cb 0.02 -3.63 0.13 0.00 1.00 0.00 0.00 33.01 30.53 2k5r s GLN 48 CO 0.11 -0.31 1.14 -1.54 -2.12 0.00 0.00 175.29 172.58 2k5r s SER 49 N 1.42 3.63 -0.03 5.90 1.04 -1.26 -5.03 113.70 119.37 2k5r s SER 49 Ca 0.23 0.93 -0.28 0.00 0.48 0.00 0.00 55.95 57.32 2k5r s SER 49 Cb -0.16 -1.49 0.06 0.00 0.10 0.00 0.00 66.02 64.54 2k5r s SER 49 CO 0.09 -2.47 0.61 -1.48 0.98 0.00 0.00 173.24 170.97 2k5r s LEU 50 N -5.97 -0.37 -0.02 2.42 0.05 -1.26 -5.04 118.68 108.50 2k5r s LEU 50 Ca 0.64 0.56 0.05 0.00 0.05 0.00 0.00 54.13 55.43 2k5r s LEU 50 Cb -0.14 2.30 -0.08 0.00 -2.05 0.00 0.00 46.19 46.22 2k5r s LEU 50 CO 0.53 -0.60 0.09 1.41 -0.55 0.00 0.00 176.35 177.22 2k5r n HIS 51 N 0.90 0.00 -4.57 3.48 8.25 -1.26 -4.85 115.22 117.17 2k5r n HIS 51 Ca -0.19 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 56.94 2k5r n HIS 51 Cb 0.57 -0.16 -0.16 0.00 1.12 0.00 0.00 29.99 31.37 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 -2.30 3.14 0.33 -0.41 8.01 -1.26 -4.98 118.70 121.24 2k5r s GLU 52 Ca -0.02 -0.79 -0.10 0.00 0.01 0.00 0.00 54.97 54.07 2k5r s GLU 52 Cb 0.03 -2.56 0.02 0.00 -4.31 0.00 0.00 34.13 27.31 2k5r s GLU 52 CO 0.22 0.00 0.59 0.00 0.01 0.00 0.00 175.26 176.07 2k5r s ALA 53 N 0.82 -0.05 -0.08 5.21 0.00 -1.26 -3.09 121.76 123.31 2k5r s ALA 53 Ca -0.06 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 50.88 2k5r s ALA 53 Cb -0.15 0.97 0.01 0.00 0.00 0.00 0.00 23.12 23.94 2k5r s ALA 53 CO -0.01 -0.88 -0.19 -0.51 0.00 0.00 0.00 175.76 174.17 2k5r s LEU 54 N -3.12 1.89 -0.03 0.00 1.43 -0.16 -0.63 118.68 118.07 2k5r s LEU 54 Ca 0.23 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.86 2k5r s LEU 54 Cb -0.02 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 2k5r s LEU 54 CO 0.14 0.10 0.13 -0.51 0.23 0.00 0.00 176.35 176.44 2k5r s ILE 55 N 0.49 5.12 0.49 -0.59 1.10 0.15 0.03 121.20 127.99 2k5r s ILE 55 Ca -0.17 -0.20 -0.10 0.00 -0.51 0.00 0.00 60.65 59.67 2k5r s ILE 55 Cb -0.17 -3.34 -0.05 0.00 0.15 0.00 0.00 42.46 39.05 2k5r s ILE 55 CO 0.06 0.40 0.87 0.42 -2.11 0.00 0.00 174.94 174.59 2k5r s THR 56 N -1.20 4.75 0.41 4.00 -4.23 -1.13 -1.72 115.64 116.52 2k5r s THR 56 Ca 0.23 0.68 0.15 0.00 -1.18 0.00 0.00 61.69 61.57 2k5r s THR 56 Cb -0.12 -3.80 0.36 0.00 1.34 0.00 0.00 72.50 70.28 2k5r s THR 56 CO 0.14 -0.78 1.89 0.08 -0.54 0.00 0.00 174.62 175.40 2k5r h ARG 57 N 0.56 0.46 -0.00 3.99 0.11 -1.60 -1.20 114.38 116.69 2k5r h ARG 57 Ca -0.46 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.59 2k5r h ARG 57 Cb 1.19 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.17 2k5r h ARG 57 CO 0.62 0.30 -0.68 -0.40 0.10 0.00 0.00 179.97 179.91 2k5r n ASP 58 N -4.51 0.75 -1.85 0.08 5.68 -1.26 -4.97 116.55 110.47 2k5r n ASP 58 Ca 0.16 -0.60 -0.20 0.00 -0.50 0.00 0.00 54.79 53.66 2k5r n ASP 58 Cb 0.57 0.54 -0.06 0.00 -1.14 0.00 0.00 41.12 41.03 2k5r n ASP 58 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2k5r n ARG 59 N -1.43 -1.54 -0.01 0.11 1.74 -0.45 -4.84 116.66 110.23 2k5r n ARG 59 Ca 0.05 1.10 -0.08 0.00 -0.77 0.00 0.00 57.85 58.15 2k5r n ARG 59 Cb 0.34 -5.56 -0.13 0.00 -1.02 0.00 0.00 32.46 26.08 2k5r n ARG 59 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2k5r h LYS 60 N 0.00 0.00 -6.40 5.56 1.57 -1.93 -3.45 116.57 111.92 2k5r h LYS 60 Ca -0.43 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.75 2k5r h LYS 60 Cb 1.31 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.40 2k5r h LYS 60 CO 0.58 0.57 -0.84 -0.65 -0.57 0.00 0.00 179.45 178.54 2k5r s GLN 61 N -2.63 1.24 -0.07 3.15 -0.21 -1.26 -0.92 119.66 118.96 2k5r s GLN 61 Ca -0.04 -1.25 0.01 0.00 0.02 0.00 0.00 55.36 54.10 2k5r s GLN 61 Cb 0.08 -1.56 0.02 0.00 1.00 0.00 0.00 33.01 32.55 2k5r s GLN 61 CO 0.82 0.36 -0.09 0.08 -2.12 0.00 0.00 175.29 174.34 2k5r s VAL 62 N -1.22 0.95 0.58 1.09 1.01 0.33 -2.84 120.40 120.29 2k5r s VAL 62 Ca 0.10 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.79 2k5r s VAL 62 Cb -0.10 -0.91 0.07 0.00 0.00 0.00 0.00 36.38 35.44 2k5r s VAL 62 CO 0.05 0.32 0.80 -0.36 0.00 0.00 0.00 175.10 175.92 2k5r s PHE 63 N 0.97 2.08 0.17 5.22 0.40 0.10 -0.53 117.98 126.40 2k5r s PHE 63 Ca -0.09 -0.36 0.08 0.00 -0.60 0.00 0.00 56.93 55.96 2k5r s PHE 63 Cb -0.15 -2.60 -0.04 0.00 0.51 0.00 0.00 43.02 40.74 2k5r s PHE 63 CO 0.00 -1.11 -0.17 0.50 0.70 0.00 0.00 175.22 175.15 2k5r s ARG 64 N -4.77 1.26 -0.15 0.44 3.52 -1.26 -0.99 118.95 117.01 2k5r s ARG 64 Ca 0.61 -1.44 -0.01 0.00 -0.13 0.00 0.00 55.73 54.76 2k5r s ARG 64 Cb -0.08 -1.22 -0.02 0.00 -1.56 0.00 0.00 34.95 32.08 2k5r s ARG 64 CO 0.39 0.23 -0.10 0.42 -0.81 0.00 0.00 175.30 175.43 2k5r s ILE 65 N -2.31 3.23 -0.23 4.11 1.01 -1.18 -2.73 121.20 123.10 2k5r s ILE 65 Ca 0.17 -0.59 -0.08 0.00 0.00 0.00 0.00 60.65 60.15 2k5r s ILE 65 Cb -0.04 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 2k5r s ILE 65 CO 0.06 0.51 0.09 -1.83 0.00 0.00 0.00 174.94 173.77 2k5r s GLU 66 N 0.50 3.85 0.28 2.79 -1.05 -0.99 -4.89 118.70 119.19 2k5r s GLU 66 Ca -0.07 -0.39 0.00 0.00 -0.15 0.00 0.00 54.97 54.35 2k5r s GLU 66 Cb -0.15 -3.35 0.00 0.00 -0.44 0.00 0.00 34.13 30.19 2k5r s GLU 66 CO 0.04 0.01 0.00 -3.47 0.95 0.00 0.00 175.26 172.78 2k5r n ASP 67 N 4.37 0.00 0.00 0.83 -0.08 -1.26 -0.31 116.55 120.10 2k5r n ASP 67 Ca -0.16 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.12 2k5r n ASP 67 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 2k5r n ASP 67 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2k5r n SER 68 N 1.28 0.00 -4.59 1.67 7.64 -1.26 -4.90 113.62 113.46 2k5r n SER 68 Ca 0.00 -1.00 -0.40 0.00 1.01 0.00 0.00 58.87 58.48 2k5r n SER 68 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 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 0.00 5.15 -0.60 0.44 -1.09 0.57 -5.03 121.20 120.65 2k5r s ILE 69 Ca 0.00 0.42 -0.27 0.00 -2.23 0.00 0.00 60.65 58.58 2k5r s ILE 69 Cb 0.00 -3.76 -0.02 0.00 -1.58 0.00 0.00 42.46 37.10 2k5r s ILE 69 CO 0.00 0.06 1.85 -2.16 -1.23 0.00 0.00 174.94 173.46 2k5r s PRO 70 N 2.10 2.67 -0.64 2.79 0.04 -1.26 -2.33 135.00 138.36 2k5r s PRO 70 Ca 0.15 0.65 -0.28 0.00 0.04 0.00 0.00 61.00 61.56 2k5r s PRO 70 Cb -0.16 -4.38 0.02 0.00 0.04 0.00 0.00 34.50 30.03 2k5r s PRO 70 CO 0.11 -2.68 1.34 0.08 0.04 0.00 0.00 177.00 175.88 2k5r s VAL 71 N 8.94 3.79 -2.32 -0.36 1.01 -1.11 -4.83 120.40 125.53 2k5r s VAL 71 Ca 0.68 0.60 0.28 0.00 0.00 0.00 0.00 61.98 63.54 2k5r s VAL 71 Cb -0.13 -4.67 0.56 0.00 0.00 0.00 0.00 36.38 32.14 2k5r s VAL 71 CO 0.21 -1.47 1.79 0.18 0.00 0.00 0.00 175.10 175.82 2k5r n LEU 72 N 9.43 1.21 -4.77 3.92 4.77 -1.26 -4.20 117.00 126.10 2k5r n LEU 72 Ca 0.08 -0.39 -0.39 0.00 -0.03 0.00 0.00 56.01 55.29 2k5r n LEU 72 Cb 0.49 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.55 2k5r n LEU 72 CO 0.71 0.20 0.90 -0.76 -1.33 0.00 0.00 177.39 177.12 2k5r s LEU 73 N -2.08 4.15 0.31 2.23 1.43 -1.26 -4.91 118.68 118.56 2k5r s LEU 73 Ca 0.37 2.51 0.22 0.00 -1.03 0.00 0.00 54.13 56.20 2k5r s LEU 73 Cb 0.21 -4.01 1.14 0.00 0.03 0.00 0.00 46.19 43.55 2k5r s LEU 73 CO 0.37 -0.85 1.67 -0.81 0.23 0.00 0.00 176.35 176.95 2k5r n PRO 74 N -0.06 0.15 -0.22 1.29 -0.04 -1.26 -2.82 135.00 132.05 2k5r n PRO 74 Ca 0.05 0.60 0.02 0.00 -0.04 0.00 0.00 63.50 64.13 2k5r n PRO 74 Cb 0.45 -1.95 0.13 0.00 -0.04 0.00 0.00 33.50 32.10 2k5r n PRO 74 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k5r h GLU 75 N 0.00 0.36 -0.23 0.54 4.39 -1.95 -1.65 114.58 116.05 2k5r h GLU 75 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2k5r h GLU 75 Cb 0.06 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2k5r h GLU 75 CO 0.00 0.24 0.00 0.39 -1.16 0.00 0.00 179.01 178.48 2k5r n GLU 76 N -5.04 1.69 -1.97 2.33 -0.58 -1.13 -4.03 120.64 111.92 2k5r n GLU 76 Ca 0.10 -1.05 -0.38 0.00 -0.42 0.00 0.00 57.16 55.40 2k5r n GLU 76 Cb 0.32 -1.32 -0.03 0.00 -0.57 0.00 0.00 31.44 29.84 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 -1.70 2.12 -0.05 0.62 0.00 -0.62 -4.16 121.76 117.97 2k5r s ALA 77 Ca 0.27 -0.52 -0.17 0.00 0.00 0.00 0.00 51.96 51.54 2k5r s ALA 77 Cb 0.14 -4.30 -0.05 0.00 0.00 0.00 0.00 23.12 18.91 2k5r s ALA 77 CO 0.21 -3.93 0.47 0.42 0.00 0.00 0.00 175.76 172.93 2k5r s ILE 78 N 9.43 5.07 -0.25 0.00 -1.09 0.31 -2.99 121.20 131.68 2k5r s ILE 78 Ca 0.72 0.96 -0.17 0.00 -2.23 0.00 0.00 60.65 59.93 2k5r s ILE 78 Cb -0.14 -3.80 -0.03 0.00 -1.58 0.00 0.00 42.46 36.92 2k5r s ILE 78 CO 0.22 0.44 0.48 0.00 -1.23 0.00 0.00 174.94 174.85 2k5r s ALA 79 N -0.17 3.58 0.35 9.38 0.00 -1.26 -0.52 121.76 133.13 2k5r s ALA 79 Ca 0.26 -0.62 0.37 0.00 0.00 0.00 0.00 51.96 51.97 2k5r s ALA 79 Cb -0.16 -2.83 1.96 0.00 0.00 0.00 0.00 23.12 22.08 2k5r s ALA 79 CO 0.13 -0.67 2.14 1.79 0.00 0.00 0.00 175.76 179.14 2k5r h THR 80 N 5.35 0.00 0.00 0.00 1.35 -1.34 -1.93 112.91 116.35 2k5r h THR 80 Ca -0.30 -0.08 -0.01 0.00 -0.55 0.00 0.00 66.41 65.47 2k5r h THR 80 Cb 1.15 0.96 -0.00 0.00 -1.73 0.00 0.00 68.15 68.53 2k5r h THR 80 CO 0.70 0.00 -0.04 -0.29 -0.25 0.00 0.00 175.52 175.65 2k5r h ILE 81 N 0.00 0.72 -0.00 6.82 6.09 -1.93 0.01 117.51 129.21 2k5r h ILE 81 Ca 0.00 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 63.35 2k5r h ILE 81 Cb 0.09 1.08 0.00 0.00 0.47 0.00 0.00 36.82 38.46 2k5r h ILE 81 CO 0.00 0.04 -0.13 0.00 -3.07 0.00 0.00 178.15 174.98 2k5r n GLN 82 N -4.05 0.52 -2.93 2.19 1.13 -0.72 -4.67 117.38 108.85 2k5r n GLN 82 Ca -0.03 -0.17 -0.44 0.00 -1.94 0.00 0.00 57.00 54.42 2k5r n GLN 82 Cb 0.12 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 28.96 2k5r n GLN 82 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2k5r s ILE 83 N -2.60 4.77 -0.56 5.09 -1.09 -0.01 -4.46 121.20 122.34 2k5r s ILE 83 Ca 0.25 -1.75 0.14 0.00 -2.23 0.00 0.00 60.65 57.05 2k5r s ILE 83 Cb 0.20 -4.81 0.14 0.00 -1.58 0.00 0.00 42.46 36.41 2k5r s ILE 83 CO 0.51 -1.53 1.42 0.00 -1.23 0.00 0.00 174.94 174.11 2k5r n ALA 84 N 6.42 1.13 1.22 9.38 0.00 -1.26 -1.34 120.51 136.05 2k5r n ALA 84 Ca 0.26 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.94 2k5r n ALA 84 Cb 0.48 -1.21 0.32 0.00 0.00 0.00 0.00 19.45 19.05 2k5r n ALA 84 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k5r n ASN 85 N -1.94 2.23 -4.67 0.00 3.02 -1.26 -4.91 115.26 107.72 2k5r n ASN 85 Ca -0.00 -1.74 -0.42 0.00 -0.03 0.00 0.00 54.58 52.38 2k5r n ASN 85 Cb 0.05 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.18 2k5r n ASN 85 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2k5r s PHE 86 N -1.96 2.55 0.02 3.10 5.36 -0.45 -4.92 117.98 121.68 2k5r s PHE 86 Ca 0.34 0.67 -0.29 0.00 -0.96 0.00 0.00 56.93 56.68 2k5r s PHE 86 Cb 0.20 -3.69 -0.04 0.00 -0.34 0.00 0.00 43.02 39.15 2k5r s PHE 86 CO 0.32 -2.67 0.95 -1.25 -1.46 0.00 0.00 175.22 171.11 2k5r s PRO 87 N 3.36 4.58 0.00 10.12 0.04 -1.26 -5.01 135.00 146.83 2k5r s PRO 87 Ca 0.64 1.38 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2k5r s PRO 87 Cb -0.29 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 30.82 2k5r s PRO 87 CO 0.23 0.03 0.00 -3.47 0.04 0.00 0.00 177.00 173.83 2k5r n ASP 88 N 3.59 0.00 -3.19 6.66 2.03 -1.26 -5.18 116.55 119.21 2k5r n ASP 88 Ca 0.04 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.16 2k5r n ASP 88 Cb 0.51 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 41.07 2k5r n ASP 88 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2k5r n LYS 89 N 0.00 -2.60 -0.61 -0.67 2.85 -1.26 -4.85 118.16 111.02 2k5r n LYS 89 Ca 0.00 -1.12 -0.05 0.00 -1.05 0.00 0.00 58.31 56.09 2k5r n LYS 89 Cb 0.00 -1.10 -0.07 0.00 -0.65 0.00 0.00 35.03 33.22 2k5r n LYS 89 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2k5r n LEU 90 N 0.00 4.35 -4.61 -5.58 4.77 -1.26 -4.87 117.00 109.81 2k5r n LEU 90 Ca 0.10 -2.34 -0.43 0.00 -0.03 0.00 0.00 56.01 53.31 2k5r n LEU 90 Cb 0.39 -1.05 -0.03 0.00 -2.33 0.00 0.00 43.42 40.41 2k5r n LEU 90 CO 0.27 1.07 0.92 -0.70 -1.33 0.00 0.00 177.39 177.62 2k5r s GLU 91 N 0.85 3.83 -0.85 3.23 2.12 -1.26 -4.98 118.70 121.64 2k5r s GLU 91 Ca 0.27 0.68 -0.00 0.00 0.36 0.00 0.00 54.97 56.27 2k5r s GLU 91 Cb 0.13 -3.84 0.21 0.00 0.26 0.00 0.00 34.13 30.89 2k5r s GLU 91 CO 0.00 -1.14 0.72 -1.01 -0.54 0.00 0.00 175.26 173.29 2k5r s HIS 92 N 3.95 3.83 -2.60 5.30 3.76 -1.26 -4.86 115.29 123.40 2k5r s HIS 92 Ca 0.44 -3.09 0.27 0.00 -0.15 0.00 0.00 55.06 52.53 2k5r s HIS 92 Cb -0.10 -3.14 0.78 0.00 1.11 0.00 0.00 32.58 31.23 2k5r s HIS 92 CO 0.24 -0.70 1.59 -2.39 -0.85 0.00 0.00 174.74 172.63 2k5r n HIS 93 N 2.28 0.00 -3.68 1.40 1.44 -1.26 -4.84 115.22 110.56 2k5r n HIS 93 Ca 0.21 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.81 2k5r n HIS 93 Cb 0.37 -0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.36 2k5r n HIS 93 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2k5r s HIS 94 N -2.03 -0.61 0.23 -1.40 5.04 -1.26 -5.15 115.29 110.11 2k5r s HIS 94 Ca 0.34 1.26 -0.30 0.00 -1.54 0.00 0.00 55.06 54.83 2k5r s HIS 94 Cb 0.21 0.20 -0.09 0.00 0.04 0.00 0.00 32.58 32.94 2k5r s HIS 94 CO 0.34 -0.39 0.98 -1.01 -2.34 0.00 0.00 174.74 172.31 2k5r s HIS 95 N 2.06 3.88 -0.28 3.88 3.76 -1.26 -5.05 115.29 122.28 2k5r s HIS 95 Ca -0.04 1.85 -0.20 0.00 -0.15 0.00 0.00 55.06 56.52 2k5r s HIS 95 Cb -0.11 -3.05 0.10 0.00 1.11 0.00 0.00 32.58 30.63 2k5r s HIS 95 CO -0.11 0.21 0.84 -3.38 -0.85 0.00 0.00 174.74 171.45 2k5r s HIS 96 N -0.98 -0.75 0.00 1.40 -3.43 -1.26 -5.28 115.29 104.99 2k5r s HIS 96 Ca 0.43 1.64 0.00 0.00 -0.80 0.00 0.00 55.06 56.33 2k5r s HIS 96 Cb -0.27 0.42 0.00 0.00 -1.43 0.00 0.00 32.58 31.30 2k5r s HIS 96 CO 0.33 -0.37 0.00 0.72 -2.00 0.00 0.00 174.74 173.42