#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbz n ARG 40 N 0.00 0.14 -0.10 3.69 1.74 -1.26 -4.16 116.66 116.71 2kbz n ARG 40 Ca 0.00 0.06 -0.14 0.00 -0.77 0.00 0.00 57.85 57.00 2kbz n ARG 40 Cb 0.00 -1.61 -0.03 0.00 -1.02 0.00 0.00 32.46 29.79 2kbz n ARG 40 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2kbz h VAL 41 N 0.00 1.28 0.00 1.55 2.07 -2.07 -3.19 116.25 115.88 2kbz h VAL 41 Ca 0.00 -1.59 -0.08 0.00 0.82 0.00 0.00 66.70 65.85 2kbz h VAL 41 Cb 0.62 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2kbz h VAL 41 CO 0.00 0.52 -0.39 0.07 0.02 0.00 0.00 177.57 177.80 2kbz h LYS 42 N 0.65 0.00 -0.16 1.57 2.10 -2.01 -3.34 116.57 115.37 2kbz h LYS 42 Ca 0.04 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.74 2kbz h LYS 42 Cb 1.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.33 2kbz h LYS 42 CO 0.10 0.39 0.18 0.00 -2.00 0.00 0.00 179.45 178.12 2kbz h ARG 43 N 0.00 0.00 0.01 0.07 3.08 -1.73 0.51 114.38 116.31 2kbz h ARG 43 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2kbz h ARG 43 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2kbz h ARG 43 CO 0.05 0.00 -0.00 -0.07 -1.07 0.00 0.00 179.97 178.88 2kbz h LEU 44 N 0.00 -0.01 0.00 3.04 4.07 -1.76 -3.30 115.31 117.35 2kbz h LEU 44 Ca 0.08 -0.85 0.00 0.00 0.08 0.00 0.00 57.88 57.18 2kbz h LEU 44 Cb 0.44 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.19 2kbz h LEU 44 CO -0.00 0.88 -0.37 0.17 -1.08 0.00 0.00 178.44 178.03 2kbz h LEU 45 N -0.92 0.00 0.00 1.67 8.10 -1.68 0.19 115.31 122.68 2kbz h LEU 45 Ca -0.00 -0.03 0.00 0.00 0.11 0.00 0.00 57.88 57.96 2kbz h LEU 45 Cb 0.86 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.08 2kbz h LEU 45 CO 0.00 0.02 0.00 -0.24 -4.11 0.00 0.00 178.44 174.11 2kbz n SER 46 N -2.70 0.00 0.06 0.17 2.88 0.17 -2.04 113.62 112.16 2kbz n SER 46 Ca 0.03 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 2kbz n SER 46 Cb 0.51 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 2kbz n SER 46 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2kbz n ILE 47 N -1.42 0.71 -2.87 2.46 -5.35 -1.15 -4.46 119.36 107.28 2kbz n ILE 47 Ca 0.08 0.23 -0.41 0.00 -0.27 0.00 0.00 62.75 62.39 2kbz n ILE 47 Cb 0.25 -1.17 0.01 0.00 -1.74 0.00 0.00 39.64 36.99 2kbz n ILE 47 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 2kbz n THR 48 N -3.28 5.42 0.00 7.28 5.66 0.67 -1.25 114.28 128.77 2kbz n THR 48 Ca 0.00 -5.91 0.00 0.00 -3.05 0.00 0.00 64.05 55.09 2kbz n THR 48 Cb 0.00 -1.83 0.00 0.00 -1.55 0.00 0.00 70.33 66.95 2kbz n THR 48 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2kbz n ASN 49 N 0.65 0.00 -3.59 1.09 3.02 -1.26 -4.64 115.26 110.53 2kbz n ASN 49 Ca 0.35 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 2kbz n ASN 49 Cb 0.31 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 2kbz n ASN 49 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2kbz n ASP 50 N 0.00 0.00 0.11 6.41 2.03 -0.87 -5.00 116.55 119.23 2kbz n ASP 50 Ca 0.00 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.37 2kbz n ASP 50 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 2kbz n ASP 50 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2kbz h LYS 51 N 0.00 0.00 0.00 -0.67 1.57 -1.83 -3.39 116.57 112.25 2kbz h LYS 51 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kbz h LYS 51 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2kbz h LYS 51 CO 0.00 0.18 0.00 0.72 -0.57 0.00 0.00 179.45 179.78 2kbz n HIS 52 N -2.92 0.15 -0.09 -1.35 8.25 -1.24 -2.99 115.22 115.03 2kbz n HIS 52 Ca -0.02 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2kbz n HIS 52 Cb 0.67 -0.63 0.29 0.00 1.12 0.00 0.00 29.99 31.44 2kbz n HIS 52 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 2kbz h ASP 53 N 0.00 0.66 -0.02 0.41 2.03 -1.37 0.14 116.42 118.27 2kbz h ASP 53 Ca 0.00 -0.07 -0.03 0.00 -0.73 0.00 0.00 57.03 56.20 2kbz h ASP 53 Cb 0.01 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 38.35 2kbz h ASP 53 CO 0.00 0.58 -0.10 -0.08 -1.03 0.00 0.00 179.24 178.61 2kbz h GLU 54 N 0.73 0.10 -0.44 4.15 4.57 -1.84 -2.02 114.58 119.82 2kbz h GLU 54 Ca 0.18 -0.08 -0.12 0.00 -1.18 0.00 0.00 59.36 58.15 2kbz h GLU 54 Cb 0.11 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 2kbz h GLU 54 CO -0.02 0.74 -0.22 -0.92 -1.18 0.00 0.00 179.01 177.41 2kbz h TYR 55 N -0.52 1.02 0.08 0.92 3.20 -1.69 -2.04 116.97 117.94 2kbz h TYR 55 Ca -0.01 -0.24 -0.00 0.00 3.14 0.00 0.00 58.73 61.62 2kbz h TYR 55 Cb 0.76 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.79 2kbz h TYR 55 CO 0.15 1.02 -0.04 1.37 -1.64 0.00 0.00 178.16 179.03 2kbz h LEU 56 N 0.78 -0.09 -1.57 2.82 -0.00 -0.84 -3.36 115.31 113.05 2kbz h LEU 56 Ca 0.10 -0.51 0.07 0.00 -0.00 0.00 0.00 57.88 57.55 2kbz h LEU 56 Cb 0.77 0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.42 2kbz h LEU 56 CO 0.06 0.52 0.39 0.71 -0.00 0.00 0.00 178.44 180.12 2kbz h THR 57 N -0.75 0.97 -0.19 0.15 1.35 -1.43 -3.22 112.91 109.78 2kbz h THR 57 Ca -0.01 -0.18 -0.10 0.00 -0.55 0.00 0.00 66.41 65.57 2kbz h THR 57 Cb 0.59 0.41 -0.01 0.00 -1.73 0.00 0.00 68.15 67.40 2kbz h THR 57 CO 0.02 0.10 -0.33 -0.33 -0.25 0.00 0.00 175.52 174.73 2kbz h GLU 58 N 0.52 0.40 -0.37 4.72 5.08 -1.52 -3.22 114.58 120.19 2kbz h GLU 58 Ca 0.26 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2kbz h GLU 58 Cb 0.33 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2kbz h GLU 58 CO -0.07 0.68 0.18 0.52 -1.00 0.00 0.00 179.01 179.32 2kbz h MET 59 N 0.34 0.51 0.01 2.33 2.86 -1.69 -2.97 114.93 116.32 2kbz h MET 59 Ca 0.04 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 2kbz h MET 59 Cb 0.75 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 32.31 2kbz h MET 59 CO 0.06 0.40 -0.33 0.28 1.06 0.00 0.00 176.91 178.37 2kbz h VAL 60 N 0.51 1.54 0.00 -2.22 2.07 -1.63 -2.79 116.25 113.73 2kbz h VAL 60 Ca 0.13 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.60 2kbz h VAL 60 Cb 0.05 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 2kbz h VAL 60 CO -0.02 0.57 0.26 -0.65 0.02 0.00 0.00 177.57 177.74 2kbz h PRO 61 N -0.47 0.00 -0.88 1.57 0.11 -1.65 0.34 132.00 131.02 2kbz h PRO 61 Ca -0.04 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 2kbz h PRO 61 Cb 1.11 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 2kbz h PRO 61 CO 0.06 0.00 0.50 -0.07 -0.21 0.00 0.00 178.00 178.28 2kbz h LEU 62 N 0.00 1.09 -0.00 2.35 4.07 -1.33 0.52 115.31 122.00 2kbz h LEU 62 Ca 0.00 -0.09 -0.02 0.00 0.08 0.00 0.00 57.88 57.86 2kbz h LEU 62 Cb 0.51 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.97 2kbz h LEU 62 CO 0.00 0.86 -0.06 0.25 -1.08 0.00 0.00 178.44 178.41 2kbz h LEU 63 N 1.23 0.06 -1.12 1.67 5.85 -0.70 -2.94 115.31 119.36 2kbz h LEU 63 Ca 0.31 -0.75 -0.08 0.00 0.84 0.00 0.00 57.88 58.20 2kbz h LEU 63 Cb 0.01 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2kbz h LEU 63 CO -0.05 0.81 -0.21 0.58 -0.34 0.00 0.00 178.44 179.23 2kbz h VAL 64 N -0.68 1.24 -0.02 1.05 2.07 -0.53 0.54 116.25 119.92 2kbz h VAL 64 Ca -0.01 -1.10 -0.12 0.00 0.82 0.00 0.00 66.70 66.30 2kbz h VAL 64 Cb 0.81 1.31 0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2kbz h VAL 64 CO 0.01 0.34 -0.45 -0.08 0.02 0.00 0.00 177.57 177.41 2kbz h GLU 65 N 0.33 0.34 0.30 1.57 4.81 -1.05 0.42 114.58 121.29 2kbz h GLU 65 Ca 0.06 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2kbz h GLU 65 Cb 0.55 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 2kbz h GLU 65 CO 0.04 1.02 -0.24 0.35 -0.73 0.00 0.00 179.01 179.45 2kbz h PHE 66 N -0.21 -0.63 -0.25 0.92 3.04 -1.42 -2.73 116.94 115.67 2kbz h PHE 66 Ca -0.05 -0.00 -0.15 0.00 3.98 0.00 0.00 57.97 61.75 2kbz h PHE 66 Cb 1.17 0.24 -0.00 0.00 2.56 0.00 0.00 35.95 39.91 2kbz h PHE 66 CO 0.15 -0.36 -0.42 0.00 -2.02 0.00 0.00 178.31 175.66 2kbz h ALA 67 N 0.09 0.38 0.00 2.41 0.00 -1.01 -3.33 119.26 117.79 2kbz h ALA 67 Ca -0.02 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 2kbz h ALA 67 Cb 0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2kbz h ALA 67 CO -0.01 0.50 -0.42 -0.22 0.00 0.00 0.00 179.25 179.09 2kbz h LYS 68 N 0.44 0.00 -0.16 0.00 3.64 -1.03 -3.30 116.57 116.17 2kbz h LYS 68 Ca 0.02 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 2kbz h LYS 68 Cb 1.02 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 2kbz h LYS 68 CO 0.10 0.42 0.32 0.22 -2.27 0.00 0.00 179.45 178.24 2kbz h ASP 69 N 0.00 0.00 0.29 4.20 3.58 -1.59 0.75 116.42 123.65 2kbz h ASP 69 Ca -0.00 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.37 2kbz h ASP 69 Cb 1.16 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.20 2kbz h ASP 69 CO 0.05 0.00 -0.32 -0.08 -2.88 0.00 0.00 179.24 176.01 2kbz h GLU 70 N 0.00 0.05 -0.13 0.28 4.57 -1.74 -3.34 114.58 114.26 2kbz h GLU 70 Ca 0.07 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 2kbz h GLU 70 Cb 0.72 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 2kbz h GLU 70 CO -0.00 0.37 0.00 0.00 -1.18 0.00 0.00 179.01 178.20 2kbz n HIS 72 N 0.67 -2.16 -4.12 0.00 8.25 -1.22 -4.86 115.22 111.78 2kbz n HIS 72 Ca 0.09 0.76 -0.27 0.00 -0.26 0.00 0.00 57.72 58.04 2kbz n HIS 72 Cb 0.35 -3.95 -0.06 0.00 1.12 0.00 0.00 29.99 27.45 2kbz n HIS 72 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2kbz s ASN 73 N -3.37 5.25 -1.35 0.41 0.01 -1.26 -5.03 114.94 109.60 2kbz s ASN 73 Ca 0.39 -0.22 -0.07 0.00 -0.71 0.00 0.00 52.86 52.25 2kbz s ASN 73 Cb -0.05 -1.29 0.02 0.00 0.41 0.00 0.00 41.25 40.34 2kbz s ASN 73 CO 0.65 0.09 2.69 -0.81 -1.51 0.00 0.00 177.10 178.20 2kbz n PRO 74 N -0.19 4.04 -0.31 -0.60 -0.04 -1.26 -4.67 135.00 131.96 2kbz n PRO 74 Ca -0.09 -2.80 -0.03 0.00 -0.04 0.00 0.00 63.50 60.53 2kbz n PRO 74 Cb 0.55 -2.65 0.08 0.00 -0.04 0.00 0.00 33.50 31.43 2kbz n PRO 74 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2kbz n PHE 75 N 2.46 0.76 -4.33 0.54 1.16 -1.26 -4.75 117.46 112.04 2kbz n PHE 75 Ca 0.68 -0.61 -0.20 0.00 -1.87 0.00 0.00 57.45 55.45 2kbz n PHE 75 Cb 0.28 -0.36 -0.13 0.00 -1.61 0.00 0.00 39.48 37.66 2kbz n PHE 75 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2kbz s ILE 76 N -1.16 1.08 0.42 1.97 1.01 -1.26 -0.85 121.20 122.42 2kbz s ILE 76 Ca 0.16 -1.01 0.08 0.00 0.00 0.00 0.00 60.65 59.88 2kbz s ILE 76 Cb 0.13 -0.98 -0.01 0.00 0.01 0.00 0.00 42.46 41.60 2kbz s ILE 76 CO 0.04 -0.02 0.42 -1.81 0.00 0.00 0.00 174.94 173.56 2kbz s ASP 77 N -1.17 5.16 0.00 3.58 1.01 0.16 -4.74 116.67 120.67 2kbz s ASP 77 Ca 0.01 -0.69 0.06 0.00 0.71 0.00 0.00 52.55 52.63 2kbz s ASP 77 Cb -0.08 -0.56 0.32 0.00 1.01 0.00 0.00 42.92 43.61 2kbz s ASP 77 CO 0.01 -0.69 0.87 0.29 0.21 0.00 0.00 175.17 175.86 2kbz n LYS 78 N -1.62 0.15 0.00 8.23 5.02 -1.26 -0.55 118.16 128.13 2kbz n LYS 78 Ca 0.04 0.07 0.09 0.00 -2.02 0.00 0.00 58.31 56.49 2kbz n LYS 78 Cb 0.61 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.09 2kbz n LYS 78 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2kbz n ASP 79 N -1.09 1.44 -0.54 4.39 8.00 -1.26 -4.98 116.55 122.52 2kbz n ASP 79 Ca 0.04 -1.22 -0.05 0.00 0.71 0.00 0.00 54.79 54.26 2kbz n ASP 79 Cb 0.03 0.65 -0.01 0.00 -0.02 0.00 0.00 41.12 41.77 2kbz n ASP 79 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kbz n GLY 80 N 1.30 0.38 3.94 0.44 0.00 0.29 -5.06 105.19 106.47 2kbz n GLY 80 Ca 0.06 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 45.16 2kbz n GLY 80 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kbz s ASN 81 N -2.83 5.91 0.50 1.61 0.01 -1.25 -4.83 114.94 114.06 2kbz s ASN 81 Ca 0.00 -0.16 -0.21 0.00 -0.71 0.00 0.00 52.86 51.77 2kbz s ASN 81 Cb 0.00 -1.42 -0.07 0.00 0.41 0.00 0.00 41.25 40.17 2kbz s ASN 81 CO 0.00 -0.24 1.16 -1.83 -1.51 0.00 0.00 177.10 174.68 2kbz s GLU 82 N -4.03 3.56 -0.07 -0.60 -1.05 -1.26 0.35 118.70 115.60 2kbz s GLU 82 Ca 0.39 1.72 -0.12 0.00 -0.15 0.00 0.00 54.97 56.81 2kbz s GLU 82 Cb -0.08 -2.23 0.03 0.00 -0.44 0.00 0.00 34.13 31.40 2kbz s GLU 82 CO 0.29 -0.71 0.30 0.45 0.95 0.00 0.00 175.26 176.54 2kbz s SER 83 N -1.52 -0.25 -0.04 0.83 0.15 -0.02 -4.65 113.70 108.21 2kbz s SER 83 Ca 0.68 0.35 -0.02 0.00 0.70 0.00 0.00 55.95 57.66 2kbz s SER 83 Cb -0.27 0.48 0.02 0.00 -1.71 0.00 0.00 66.02 64.54 2kbz s SER 83 CO 0.32 -0.26 0.08 0.27 1.20 0.00 0.00 173.24 174.85 2kbz s ILE 84 N -0.54 -0.04 0.72 6.45 -0.00 -1.26 -4.23 121.20 122.31 2kbz s ILE 84 Ca -0.06 0.13 -0.11 0.00 -0.00 0.00 0.00 60.65 60.60 2kbz s ILE 84 Cb -0.04 -0.14 0.03 0.00 -0.00 0.00 0.00 42.46 42.31 2kbz s ILE 84 CO 0.02 0.05 1.10 -2.16 -0.00 0.00 0.00 174.94 173.95 2kbz s PRO 85 N 0.74 2.70 0.41 0.37 0.04 -1.26 -4.86 135.00 133.14 2kbz s PRO 85 Ca -0.06 0.52 0.20 0.00 0.04 0.00 0.00 61.00 61.70 2kbz s PRO 85 Cb -0.08 -2.00 1.14 0.00 0.04 0.00 0.00 34.50 33.60 2kbz s PRO 85 CO -0.03 -1.16 1.77 0.77 0.04 0.00 0.00 177.00 178.40 2kbz h SER 86 N -0.74 0.41 0.00 6.66 0.02 -2.00 -1.42 113.55 116.48 2kbz h SER 86 Ca -0.45 0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.52 2kbz h SER 86 Cb 1.25 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2kbz h SER 86 CO 0.63 0.07 -0.22 1.23 -1.14 0.00 0.00 176.83 177.40 2kbz h GLY 87 N 0.36 0.16 2.00 -3.77 0.00 -1.95 -2.25 103.07 97.63 2kbz h GLY 87 Ca 0.60 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.60 2kbz h GLY 87 CO -0.28 0.26 -0.15 -0.24 0.00 0.00 0.00 176.54 176.12 2kbz h VAL 88 N -0.56 0.50 -0.23 4.60 3.04 -1.88 -2.21 116.25 119.51 2kbz h VAL 88 Ca -0.03 -0.76 -0.14 0.00 -1.01 0.00 0.00 66.70 64.76 2kbz h VAL 88 Cb 1.00 1.52 -0.01 0.00 -2.01 0.00 0.00 31.29 31.79 2kbz h VAL 88 CO 0.04 0.15 -0.44 0.25 -1.01 0.00 0.00 177.57 176.56 2kbz h LEU 89 N 0.00 0.61 -0.96 3.16 7.12 -1.29 -0.29 115.31 123.66 2kbz h LEU 89 Ca -0.00 -0.29 -0.06 0.00 0.13 0.00 0.00 57.88 57.66 2kbz h LEU 89 Cb 0.51 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 40.44 2kbz h LEU 89 CO 0.02 0.97 0.09 0.16 -0.13 0.00 0.00 178.44 179.55 2kbz h ILE 90 N 0.46 1.23 -0.02 4.05 -2.65 -0.77 -0.83 117.51 118.99 2kbz h ILE 90 Ca 0.03 -0.89 0.01 0.00 1.03 0.00 0.00 64.86 65.04 2kbz h ILE 90 Cb 0.96 0.73 -0.01 0.00 -2.05 0.00 0.00 36.82 36.45 2kbz h ILE 90 CO 0.09 0.33 -0.05 0.15 0.03 0.00 0.00 178.15 178.69 2kbz h PHE 91 N 0.80 -0.13 0.39 0.16 3.57 -1.42 -0.16 116.94 120.16 2kbz h PHE 91 Ca 0.17 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 2kbz h PHE 91 Cb 0.36 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 2kbz h PHE 91 CO 0.02 -0.08 -0.40 0.28 -2.23 0.00 0.00 178.31 175.90 2kbz h VAL 92 N -0.08 0.00 -0.53 1.41 2.07 -0.69 0.34 116.25 118.77 2kbz h VAL 92 Ca 0.03 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.65 2kbz h VAL 92 Cb 0.12 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.80 2kbz h VAL 92 CO -0.07 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.53 2kbz h ALA 93 N -1.07 0.51 0.00 1.67 0.00 -1.26 -2.84 119.26 116.26 2kbz h ALA 93 Ca -0.05 0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 2kbz h ALA 93 Cb 0.69 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2kbz h ALA 93 CO -0.06 -0.39 -0.84 1.57 0.00 0.00 0.00 179.25 179.54 2kbz h LYS 94 N 0.12 0.05 0.58 0.00 2.10 -0.99 -2.58 116.57 115.84 2kbz h LYS 94 Ca 0.27 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.84 2kbz h LYS 94 Cb 0.41 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.75 2kbz h LYS 94 CO -0.44 0.86 -0.36 0.00 -2.00 0.00 0.00 179.45 177.50 2kbz h ALA 95 N 1.12 -0.91 0.00 0.07 0.00 -0.90 -2.55 119.26 116.08 2kbz h ALA 95 Ca -0.02 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 2kbz h ALA 95 Cb 1.48 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 19.69 2kbz h ALA 95 CO 0.11 -1.03 -0.87 0.00 0.00 0.00 0.00 179.25 177.47 2kbz h ALA 96 N -0.56 0.48 0.00 0.00 0.00 -1.65 -2.71 119.26 114.83 2kbz h ALA 96 Ca -0.07 -0.79 -0.02 0.00 0.00 0.00 0.00 54.91 54.03 2kbz h ALA 96 Cb 0.73 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kbz h ALA 96 CO 0.07 1.08 -0.10 -0.56 0.00 0.00 0.00 179.25 179.74 2kbz h GLN 97 N 0.00 0.00 0.19 0.00 3.07 -1.50 0.13 115.11 117.00 2kbz h GLN 97 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.72 2kbz h GLN 97 Cb 1.62 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.18 2kbz h GLN 97 CO 0.11 0.10 -0.09 0.35 0.09 0.00 0.00 178.83 179.40 2kbz h PHE 98 N 0.00 -0.23 0.14 0.06 3.04 -1.41 -3.42 116.94 115.11 2kbz h PHE 98 Ca -0.00 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 2kbz h PHE 98 Cb 0.39 0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.97 2kbz h PHE 98 CO 0.00 0.16 -0.07 -0.92 -2.02 0.00 0.00 178.31 175.46 2kbz h TYR 99 N -0.91 -0.17 -0.47 0.41 3.20 -1.32 -3.39 116.97 114.32 2kbz h TYR 99 Ca -0.03 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 61.98 2kbz h TYR 99 Cb 0.50 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 2kbz h TYR 99 CO 0.07 0.28 0.41 0.00 -1.64 0.00 0.00 178.16 177.29 2kbz h MET 100 N -0.75 0.00 -0.94 1.82 -0.00 -1.01 -3.15 114.93 110.89 2kbz h MET 100 Ca -0.02 0.00 0.21 0.00 -0.00 0.00 0.00 59.70 59.89 2kbz h MET 100 Cb 0.53 0.00 -0.12 0.00 -0.00 0.00 0.00 31.60 32.02 2kbz h MET 100 CO 0.03 0.00 0.51 1.79 -0.00 0.00 0.00 176.91 179.24 2kbz h THR 101 N 0.00 0.59 -1.44 -0.10 1.35 -1.76 -2.74 112.91 108.81 2kbz h THR 101 Ca 0.22 -0.20 -0.41 0.00 -0.55 0.00 0.00 66.41 65.47 2kbz h THR 101 Cb 1.04 -0.03 -0.37 0.00 -1.73 0.00 0.00 68.15 67.06 2kbz h THR 101 CO -0.00 0.10 -1.10 -3.20 -0.25 0.00 0.00 175.52 171.07 2kbz n ASN 102 N -4.91 0.63 -0.09 5.36 4.05 -1.19 -4.88 115.26 114.24 2kbz n ASN 102 Ca 0.23 -2.95 -0.09 0.00 0.45 0.00 0.00 54.58 52.22 2kbz n ASN 102 Cb 0.62 -0.31 -0.16 0.00 1.23 0.00 0.00 39.78 41.17 2kbz n ASN 102 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2kbz n ALA 103 N 0.14 1.54 0.00 5.20 0.00 -1.03 -4.92 120.51 121.44 2kbz n ALA 103 Ca 0.17 -1.24 0.00 0.00 0.00 0.00 0.00 53.44 52.38 2kbz n ALA 103 Cb 0.72 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.88 2kbz n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kbz n GLY 104 N 1.71 -1.58 0.61 0.00 0.00 -1.26 -4.54 105.19 100.12 2kbz n GLY 104 Ca -0.30 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2kbz n GLY 104 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kbz n LEU 105 N 0.00 0.00 -1.97 0.99 -0.00 -1.26 -4.48 117.00 110.28 2kbz n LEU 105 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.93 2kbz n LEU 105 Cb 0.00 -0.04 0.06 0.00 -0.00 0.00 0.00 43.42 43.44 2kbz n LEU 105 CO 0.00 -0.35 0.13 0.35 -0.00 0.00 0.00 177.39 177.53 2kbz n THR 106 N -2.06 1.74 -0.07 1.47 -2.24 -1.26 -4.88 114.28 106.97 2kbz n THR 106 Ca 0.00 -3.22 -0.07 0.00 -2.27 0.00 0.00 64.05 58.50 2kbz n THR 106 Cb 0.00 0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.27 2kbz n THR 106 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2kbz h GLY 107 N 1.96 0.00 0.00 3.38 0.00 -1.91 -3.50 103.07 103.00 2kbz h GLY 107 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2kbz h GLY 107 CO 0.36 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 175.94 2kbz n ARG 108 N -4.60 0.00 -1.62 4.80 1.85 -1.26 -5.08 116.66 110.75 2kbz n ARG 108 Ca -0.10 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.45 2kbz n ARG 108 Cb 0.31 0.00 0.07 0.00 -1.05 0.00 0.00 32.46 31.79 2kbz n ARG 108 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2kbz s SER 109 N 0.00 4.93 0.00 2.89 0.15 -1.26 -5.09 113.70 115.32 2kbz s SER 109 Ca 0.00 1.36 0.00 0.00 0.70 0.00 0.00 55.95 58.01 2kbz s SER 109 Cb 0.00 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 2kbz s SER 109 CO 0.00 -1.70 0.00 0.80 1.20 0.00 0.00 173.24 173.54 2kbz n MET 110 N -3.26 2.84 -3.09 5.44 1.56 -1.26 -4.34 117.12 115.00 2kbz n MET 110 Ca 0.07 0.00 -0.30 0.00 -0.27 0.00 0.00 57.70 57.20 2kbz n MET 110 Cb 0.56 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.89 2kbz n MET 110 CO 0.00 0.00 0.00 0.16 -0.73 0.00 0.00 175.97 175.40 2kbz s ASP 111 N -1.00 6.51 -0.04 6.12 1.47 -1.26 -4.25 116.67 124.22 2kbz s ASP 111 Ca 0.00 0.96 -0.01 0.00 1.18 0.00 0.00 52.55 54.68 2kbz s ASP 111 Cb 0.00 -2.25 -0.01 0.00 -0.34 0.00 0.00 42.92 40.32 2kbz s ASP 111 CO 0.00 -0.29 0.09 1.07 0.68 0.00 0.00 175.17 176.72 2kbz n THR 112 N -1.04 0.00 0.00 2.11 5.66 -1.26 -4.63 114.28 115.11 2kbz n THR 112 Ca 0.01 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 2kbz n THR 112 Cb 0.54 -0.01 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 2kbz n THR 112 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2kbz n VAL 113 N 0.23 0.00 -1.38 1.08 0.31 -1.26 -4.85 118.33 112.45 2kbz n VAL 113 Ca 0.03 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.04 2kbz n VAL 113 Cb 0.00 0.00 0.09 0.00 -0.91 0.00 0.00 33.84 33.02 2kbz n VAL 113 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2kbz n SER 114 N -2.46 6.88 -3.62 4.52 2.88 -1.26 -4.93 113.62 115.63 2kbz n SER 114 Ca 0.00 -3.77 -0.14 0.00 -1.33 0.00 0.00 58.87 53.64 2kbz n SER 114 Cb 0.00 -0.90 -0.07 0.00 -0.75 0.00 0.00 64.21 62.49 2kbz n SER 114 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2kbz s TYR 115 N -3.73 -0.73 -0.01 0.66 -0.85 -1.26 -5.16 117.35 106.27 2kbz s TYR 115 Ca 0.62 1.73 0.06 0.00 -0.52 0.00 0.00 57.07 58.96 2kbz s TYR 115 Cb 0.49 0.30 -0.02 0.00 0.38 0.00 0.00 41.96 43.12 2kbz s TYR 115 CO 0.01 -0.38 -0.19 -0.80 -1.52 0.00 0.00 175.55 172.66 2kbz s ASN 116 N 0.17 2.29 0.16 -0.18 -0.87 -1.26 -4.76 114.94 110.49 2kbz s ASN 116 Ca -0.01 -0.38 0.23 0.00 -1.57 0.00 0.00 52.86 51.14 2kbz s ASN 116 Cb -0.04 -0.24 0.90 0.00 -0.02 0.00 0.00 41.25 41.85 2kbz s ASN 116 CO 0.01 0.22 1.72 0.49 -2.57 0.00 0.00 177.10 176.97 2kbz n PHE 117 N 2.48 0.58 0.62 2.20 3.01 -1.26 -2.79 117.46 122.29 2kbz n PHE 117 Ca -0.15 0.20 0.08 0.00 1.01 0.00 0.00 57.45 58.58 2kbz n PHE 117 Cb 0.53 -0.82 0.36 0.00 -0.01 0.00 0.00 39.48 39.54 2kbz n PHE 117 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2kbz n ALA 118 N -1.69 1.78 -1.81 4.37 0.00 -1.26 -3.08 120.51 118.82 2kbz n ALA 118 Ca 0.04 -0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.44 2kbz n ALA 118 Cb 0.29 -1.26 0.03 0.00 0.00 0.00 0.00 19.45 18.51 2kbz n ALA 118 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2kbz n THR 119 N -1.43 0.39 -0.66 0.00 5.66 -1.12 -5.09 114.28 112.03 2kbz n THR 119 Ca 0.05 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.58 2kbz n THR 119 Cb 0.17 0.35 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 2kbz n THR 119 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2kbz n GLU 120 N -0.29 0.00 0.00 1.09 0.28 -1.18 -5.06 120.64 115.48 2kbz n GLU 120 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 2kbz n GLU 120 Cb 0.69 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.56 2kbz n GLU 120 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 2kbz n ILE 121 N 0.00 0.00 -2.22 3.84 -5.35 -1.26 -4.81 119.36 109.56 2kbz n ILE 121 Ca 0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.06 2kbz n ILE 121 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 37.87 2kbz n ILE 121 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2kbz s PRO 122 N 0.00 4.25 0.65 6.28 0.04 -1.26 -4.93 135.00 140.02 2kbz s PRO 122 Ca 0.00 1.94 0.42 0.00 0.04 0.00 0.00 61.00 63.40 2kbz s PRO 122 Cb 0.00 -3.72 2.25 0.00 0.04 0.00 0.00 34.50 33.07 2kbz s PRO 122 CO 0.00 -0.67 2.32 0.77 0.04 0.00 0.00 177.00 179.46 2kbz h SER 123 N 8.35 0.00 -0.16 6.66 0.02 -2.01 -2.94 113.55 123.46 2kbz h SER 123 Ca -0.35 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.42 2kbz h SER 123 Cb 1.16 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.71 2kbz h SER 123 CO 0.93 0.00 -0.58 0.00 -1.14 0.00 0.00 176.83 176.04 2kbz h THR 124 N 0.00 1.32 0.00 -2.27 1.03 -2.00 -3.26 112.91 107.73 2kbz h THR 124 Ca -0.00 -1.83 -0.08 0.00 -0.01 0.00 0.00 66.41 64.49 2kbz h THR 124 Cb 0.06 2.00 -0.01 0.00 -1.07 0.00 0.00 68.15 69.12 2kbz h THR 124 CO 0.00 0.57 -0.40 0.40 -0.01 0.00 0.00 175.52 176.08 2kbz h ILE 125 N 0.36 1.06 -0.31 0.00 1.08 -1.94 -3.28 117.51 114.48 2kbz h ILE 125 Ca -0.03 -1.50 0.09 0.00 -0.39 0.00 0.00 64.86 63.03 2kbz h ILE 125 Cb 1.21 1.86 -0.01 0.00 -3.07 0.00 0.00 36.82 36.81 2kbz h ILE 125 CO 0.12 0.39 0.28 -0.07 -0.69 0.00 0.00 178.15 178.19 2kbz h LEU 126 N 0.00 0.00 -0.22 1.44 3.38 -1.59 0.13 115.31 118.46 2kbz h LEU 126 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 2kbz h LEU 126 Cb 0.83 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 2kbz h LEU 126 CO 0.05 0.00 -0.91 0.11 0.09 0.00 0.00 178.44 177.79 2kbz h LYS 127 N 0.00 0.06 0.00 1.13 1.79 -1.72 -3.20 116.57 114.63 2kbz h LYS 127 Ca 0.15 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2kbz h LYS 127 Cb 0.70 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 2kbz h LYS 127 CO -0.00 0.92 0.00 1.17 -1.08 0.00 0.00 179.45 180.46 2kbz n LYS 128 N -3.52 0.19 0.11 3.15 4.81 0.36 -2.90 118.16 120.35 2kbz n LYS 128 Ca -0.01 0.38 0.16 0.00 -0.87 0.00 0.00 58.31 57.96 2kbz n LYS 128 Cb 0.85 -1.83 0.68 0.00 0.02 0.00 0.00 35.03 34.74 2kbz n LYS 128 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2kbz h LEU 129 N 0.00 0.00 0.12 3.14 7.12 -1.26 -3.31 115.31 121.12 2kbz h LEU 129 Ca 0.00 0.00 -0.29 0.00 0.13 0.00 0.00 57.88 57.72 2kbz h LEU 129 Cb 0.40 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.52 2kbz h LEU 129 CO 0.00 0.00 -1.51 0.78 -0.13 0.00 0.00 178.44 177.58 2kbz h ASN 130 N 0.00 0.39 0.00 1.25 2.35 -1.75 -3.41 115.58 114.41 2kbz h ASN 130 Ca 0.15 -0.86 0.00 0.00 -0.55 0.00 0.00 56.30 55.04 2kbz h ASN 130 Cb 0.61 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2kbz h ASN 130 CO -0.00 1.66 0.18 -0.81 -1.65 0.00 0.00 177.43 176.81 2kbz n PRO 131 N -3.86 0.00 0.02 0.81 -0.04 -1.25 -3.79 135.00 126.89 2kbz n PRO 131 Ca -0.26 0.16 -0.01 0.00 -0.04 0.00 0.00 63.50 63.35 2kbz n PRO 131 Cb 0.93 -1.68 -0.01 0.00 -0.04 0.00 0.00 33.50 32.70 2kbz n PRO 131 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 2kbz h TYR 132 N 0.00 -0.08 0.00 0.54 -0.00 -1.84 -3.48 116.97 112.12 2kbz h TYR 132 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2kbz h TYR 132 Cb 0.37 0.03 0.00 0.00 -0.00 0.00 0.00 36.73 37.13 2kbz h TYR 132 CO 0.00 -0.04 0.00 -2.13 -0.00 0.00 0.00 178.16 175.99 2kbz n ARG 133 N -2.38 0.00 0.00 0.10 0.63 -1.25 -4.92 116.66 108.84 2kbz n ARG 133 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 2kbz n ARG 133 Cb 0.03 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.94 2kbz n ARG 133 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2kbz n LYS 134 N 0.00 0.00 0.00 -0.14 4.81 -1.26 -4.84 118.16 116.73 2kbz n LYS 134 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2kbz n LYS 134 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2kbz n LYS 134 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kbz n MET 135 N 0.00 0.00 -1.55 1.64 0.00 -1.26 -4.79 117.12 111.16 2kbz n MET 135 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.29 2kbz n MET 135 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.21 2kbz n MET 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kbz n ALA 136 N 0.00 5.87 1.10 3.17 0.00 -1.26 -5.07 120.51 124.32 2kbz n ALA 136 Ca 0.00 -3.69 0.12 0.00 0.00 0.00 0.00 53.44 49.88 2kbz n ALA 136 Cb 0.00 -3.49 0.18 0.00 0.00 0.00 0.00 19.45 16.15 2kbz n ALA 136 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39