#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbz h ARG 40 N 0.00 0.69 -0.13 -1.09 2.43 -2.07 -0.87 114.38 113.34 2kbz h ARG 40 Ca 0.00 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 2kbz h ARG 40 Cb 0.00 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 2kbz h ARG 40 CO 0.00 0.45 -0.40 -0.39 -1.51 0.00 0.00 179.97 178.12 2kbz h VAL 41 N 0.71 1.36 0.00 0.20 -1.51 -2.07 -3.29 116.25 111.64 2kbz h VAL 41 Ca 0.23 -1.70 -0.08 0.00 -1.23 0.00 0.00 66.70 63.91 2kbz h VAL 41 Cb 0.04 2.10 -0.01 0.00 -2.13 0.00 0.00 31.29 31.29 2kbz h VAL 41 CO -0.06 0.51 -0.39 0.11 -1.23 0.00 0.00 177.57 176.51 2kbz h LYS 42 N 0.11 0.00 -0.34 5.19 1.57 -1.97 -3.25 116.57 117.88 2kbz h LYS 42 Ca -0.01 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.86 2kbz h LYS 42 Cb 1.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 2kbz h LYS 42 CO 0.09 0.39 0.28 -0.09 -0.57 0.00 0.00 179.45 179.55 2kbz h ARG 43 N 0.00 0.00 -0.02 3.15 2.43 -1.23 0.14 114.38 118.85 2kbz h ARG 43 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2kbz h ARG 43 Cb 0.74 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2kbz h ARG 43 CO 0.05 0.00 -0.02 1.25 -1.51 0.00 0.00 179.97 179.74 2kbz h LEU 44 N 0.00 0.05 -0.07 3.80 6.46 -1.71 -3.31 115.31 120.53 2kbz h LEU 44 Ca 0.16 -0.50 0.00 0.00 -0.12 0.00 0.00 57.88 57.42 2kbz h LEU 44 Cb 0.71 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 2kbz h LEU 44 CO -0.00 0.54 -0.43 0.00 -0.62 0.00 0.00 178.44 177.93 2kbz n LEU 45 N -4.81 0.54 0.13 2.25 -0.00 -1.07 -4.00 117.00 110.03 2kbz n LEU 45 Ca -0.08 -0.00 0.10 0.00 -0.00 0.00 0.00 56.01 56.02 2kbz n LEU 45 Cb 0.27 -0.25 0.48 0.00 -0.00 0.00 0.00 43.42 43.92 2kbz n LEU 45 CO 0.34 0.13 0.79 -0.24 -0.00 0.00 0.00 177.39 178.40 2kbz n SER 46 N -1.38 0.48 0.03 1.45 2.88 0.48 -0.55 113.62 117.00 2kbz n SER 46 Ca 0.07 0.70 0.00 0.00 -1.33 0.00 0.00 58.87 58.31 2kbz n SER 46 Cb 0.34 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 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 -2.12 0.22 -2.46 2.46 -5.35 -1.26 -4.49 119.36 106.37 2kbz n ILE 47 Ca -0.00 0.07 -0.43 0.00 -0.27 0.00 0.00 62.75 62.12 2kbz n ILE 47 Cb 0.07 -0.77 0.01 0.00 -1.74 0.00 0.00 39.64 37.20 2kbz n ILE 47 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 2kbz n THR 48 N -2.79 4.52 0.00 7.28 -1.04 -1.26 -1.44 114.28 119.55 2kbz n THR 48 Ca 0.00 -4.66 0.00 0.00 -2.04 0.00 0.00 64.05 57.35 2kbz n THR 48 Cb 0.00 -2.31 0.00 0.00 -1.82 0.00 0.00 70.33 66.20 2kbz n THR 48 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2kbz n ASN 49 N 3.45 0.00 0.00 8.00 3.02 -1.25 -4.69 115.26 123.79 2kbz n ASN 49 Ca 0.37 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 2kbz n ASN 49 Cb 0.36 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 2kbz n ASN 49 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2kbz n ASP 50 N 0.00 0.00 0.06 6.41 8.00 0.29 -4.91 116.55 126.39 2kbz n ASP 50 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.27 2kbz n ASP 50 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 40.95 2kbz n ASP 50 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 2kbz h LYS 51 N 0.00 0.36 0.00 -1.24 2.10 -1.79 -3.37 116.57 112.63 2kbz h LYS 51 Ca 0.00 -0.62 0.00 0.00 -2.00 0.00 0.00 60.65 58.03 2kbz h LYS 51 Cb 0.00 0.23 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 2kbz h LYS 51 CO 0.00 1.30 0.00 0.72 -2.00 0.00 0.00 179.45 179.47 2kbz n HIS 52 N -3.61 0.00 0.11 0.07 8.25 -1.23 -2.05 115.22 116.75 2kbz n HIS 52 Ca -0.26 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.24 2kbz n HIS 52 Cb 1.05 -0.34 0.45 0.00 1.12 0.00 0.00 29.99 32.27 2kbz n HIS 52 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 2kbz h ASP 53 N 0.00 0.25 -0.05 0.41 3.58 -1.41 0.46 116.42 119.65 2kbz h ASP 53 Ca 0.00 -0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.37 2kbz h ASP 53 Cb 0.04 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.03 2kbz h ASP 53 CO 0.00 0.29 -0.16 -0.08 -2.88 0.00 0.00 179.24 176.41 2kbz h GLU 54 N 0.28 0.20 -0.06 0.28 4.57 -1.71 -2.96 114.58 115.18 2kbz h GLU 54 Ca 0.07 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2kbz h GLU 54 Cb 0.16 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2kbz h GLU 54 CO 0.00 0.76 0.03 -0.92 -1.18 0.00 0.00 179.01 177.70 2kbz h TYR 55 N -0.32 0.09 0.07 0.92 3.20 -1.61 -1.65 116.97 117.68 2kbz h TYR 55 Ca -0.00 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2kbz h TYR 55 Cb 0.77 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.02 2kbz h TYR 55 CO 0.13 0.20 -0.03 1.37 -1.64 0.00 0.00 178.16 178.19 2kbz h LEU 56 N -0.04 -0.08 -1.76 2.82 -0.00 -0.26 -3.03 115.31 112.97 2kbz h LEU 56 Ca 0.02 -0.42 0.38 0.00 -0.00 0.00 0.00 57.88 57.86 2kbz h LEU 56 Cb 0.15 0.02 -0.08 0.00 -0.00 0.00 0.00 40.66 40.75 2kbz h LEU 56 CO -0.00 0.40 0.90 0.74 -0.00 0.00 0.00 178.44 180.48 2kbz h THR 57 N -0.58 0.32 -0.18 0.15 2.02 -1.64 -1.99 112.91 111.00 2kbz h THR 57 Ca -0.01 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 2kbz h THR 57 Cb 0.50 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2kbz h THR 57 CO 0.02 0.02 -0.01 -0.33 0.37 0.00 0.00 175.52 175.58 2kbz h GLU 58 N 0.10 0.26 -0.02 6.66 4.39 -1.16 -2.65 114.58 122.16 2kbz h GLU 58 Ca 0.67 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 60.34 2kbz h GLU 58 Cb 2.39 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 30.99 2kbz h GLU 58 CO -0.14 0.30 0.02 0.00 -1.16 0.00 0.00 179.01 178.03 2kbz h MET 59 N 0.26 0.00 0.01 2.33 -0.00 -1.40 -3.11 114.93 113.02 2kbz h MET 59 Ca 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.76 2kbz h MET 59 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.80 2kbz h MET 59 CO 0.01 0.00 -0.00 -0.39 -0.00 0.00 0.00 176.91 176.52 2kbz h VAL 60 N 0.00 1.52 0.00 -0.10 -1.51 -1.53 0.40 116.25 115.02 2kbz h VAL 60 Ca 0.01 -1.60 0.00 0.00 -1.23 0.00 0.00 66.70 63.88 2kbz h VAL 60 Cb 0.06 2.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.81 2kbz h VAL 60 CO -0.00 0.41 0.00 -0.65 -1.23 0.00 0.00 177.57 176.10 2kbz h PRO 61 N -0.70 0.00 0.56 5.19 0.11 -1.64 0.34 132.00 135.85 2kbz h PRO 61 Ca -0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 2kbz h PRO 61 Cb 0.68 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.80 2kbz h PRO 61 CO 0.00 0.00 -0.27 -0.07 -0.21 0.00 0.00 178.00 177.45 2kbz h LEU 62 N 0.00 -0.64 0.18 2.35 4.07 -1.47 -2.35 115.31 117.45 2kbz h LEU 62 Ca 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 2kbz h LEU 62 Cb 0.10 0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.01 2kbz h LEU 62 CO 0.00 -0.29 -0.08 0.25 -1.08 0.00 0.00 178.44 177.23 2kbz h LEU 63 N -1.02 -0.20 -0.90 1.67 5.85 -0.87 -2.92 115.31 116.93 2kbz h LEU 63 Ca -0.08 -0.33 -0.11 0.00 0.84 0.00 0.00 57.88 58.20 2kbz h LEU 63 Cb 0.65 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2kbz h LEU 63 CO 0.13 0.29 -0.48 0.58 -0.34 0.00 0.00 178.44 178.62 2kbz h VAL 64 N -0.77 1.34 0.07 1.05 2.07 -0.53 -0.23 116.25 119.25 2kbz h VAL 64 Ca -0.02 -1.68 -0.26 0.00 0.82 0.00 0.00 66.70 65.55 2kbz h VAL 64 Cb 0.52 1.83 0.01 0.00 -1.52 0.00 0.00 31.29 32.13 2kbz h VAL 64 CO 0.04 0.49 -1.11 -0.08 0.02 0.00 0.00 177.57 176.93 2kbz h GLU 65 N 0.13 0.44 0.43 1.57 4.22 -1.38 -0.27 114.58 119.72 2kbz h GLU 65 Ca 0.01 -0.57 -0.01 0.00 0.08 0.00 0.00 59.36 58.87 2kbz h GLU 65 Cb 0.90 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2kbz h GLU 65 CO 0.07 1.22 -0.31 0.35 -2.18 0.00 0.00 179.01 178.16 2kbz h PHE 66 N 0.20 -0.82 -0.15 0.92 3.57 -1.46 -2.83 116.94 116.37 2kbz h PHE 66 Ca -0.13 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.26 2kbz h PHE 66 Cb 1.78 0.30 0.00 0.00 2.79 0.00 0.00 35.95 40.83 2kbz h PHE 66 CO 0.08 -0.46 -0.33 0.00 -2.23 0.00 0.00 178.31 175.36 2kbz h ALA 67 N -0.25 0.24 -0.01 2.41 0.00 -1.13 -3.38 119.26 117.15 2kbz h ALA 67 Ca -0.04 -0.43 -0.22 0.00 0.00 0.00 0.00 54.91 54.22 2kbz h ALA 67 Cb 0.62 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2kbz h ALA 67 CO 0.01 0.29 -0.93 -0.22 0.00 0.00 0.00 179.25 178.40 2kbz h LYS 68 N 0.10 0.41 -0.16 0.00 3.64 -1.17 -3.35 116.57 116.04 2kbz h LYS 68 Ca -0.00 -0.44 0.05 0.00 -1.27 0.00 0.00 60.65 58.99 2kbz h LYS 68 Cb 0.94 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 2kbz h LYS 68 CO 0.07 1.10 0.33 0.22 -2.27 0.00 0.00 179.45 178.90 2kbz h ASP 69 N 0.24 0.00 0.00 4.20 3.58 -1.65 -0.81 116.42 121.97 2kbz h ASP 69 Ca -0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.37 2kbz h ASP 69 Cb 1.56 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.61 2kbz h ASP 69 CO 0.16 0.00 0.08 -0.08 -2.88 0.00 0.00 179.24 176.52 2kbz h GLU 70 N 0.00 0.00 -0.48 0.28 4.57 -1.77 -3.31 114.58 113.87 2kbz h GLU 70 Ca 0.07 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.22 2kbz h GLU 70 Cb 0.73 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.30 2kbz h GLU 70 CO -0.00 0.00 0.04 0.00 -1.18 0.00 0.00 179.01 177.87 2kbz n HIS 72 N 0.03 0.00 -2.64 0.00 -0.00 -1.25 -4.76 115.22 106.61 2kbz n HIS 72 Ca 0.28 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 58.04 2kbz n HIS 72 Cb 1.12 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.96 2kbz n HIS 72 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2kbz s ASN 73 N 0.47 7.29 0.18 0.26 6.03 -1.26 -5.00 114.94 122.92 2kbz s ASN 73 Ca 0.00 1.74 0.14 0.00 -1.03 0.00 0.00 52.86 53.70 2kbz s ASN 73 Cb 0.00 -2.57 -0.05 0.00 -3.03 0.00 0.00 41.25 35.60 2kbz s ASN 73 CO 0.00 -0.33 1.24 1.55 -2.03 0.00 0.00 177.10 177.53 2kbz h PRO 74 N 6.83 0.00 -6.73 3.55 0.13 -1.94 -3.39 132.00 130.46 2kbz h PRO 74 Ca -0.40 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.18 2kbz h PRO 74 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.36 2kbz h PRO 74 CO 0.77 0.55 -0.99 1.97 -0.23 0.00 0.00 178.00 180.07 2kbz n PHE 75 N -3.17 -1.55 -4.22 1.56 1.16 -1.26 -4.91 117.46 105.08 2kbz n PHE 75 Ca -0.02 0.18 -0.30 0.00 -1.87 0.00 0.00 57.45 55.45 2kbz n PHE 75 Cb 0.81 -2.98 -0.10 0.00 -1.61 0.00 0.00 39.48 35.61 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 -3.50 3.42 0.58 1.97 -1.09 -1.26 0.42 121.20 121.73 2kbz s ILE 76 Ca 0.49 -1.27 0.09 0.00 -2.23 0.00 0.00 60.65 57.73 2kbz s ILE 76 Cb -0.24 -2.61 0.08 0.00 -1.58 0.00 0.00 42.46 38.11 2kbz s ILE 76 CO 0.94 0.09 0.73 -1.81 -1.23 0.00 0.00 174.94 173.66 2kbz s ASP 77 N -2.27 4.96 0.08 3.58 1.01 0.23 -4.83 116.67 119.43 2kbz s ASP 77 Ca 0.22 -0.97 0.25 0.00 0.71 0.00 0.00 52.55 52.76 2kbz s ASP 77 Cb -0.11 0.41 0.98 0.00 1.01 0.00 0.00 42.92 45.21 2kbz s ASP 77 CO 0.14 -1.34 1.77 2.29 0.21 0.00 0.00 175.17 178.24 2kbz n LYS 78 N -2.18 0.08 -0.00 8.23 2.85 -1.26 -2.66 118.16 123.23 2kbz n LYS 78 Ca 0.13 0.15 0.09 0.00 -1.05 0.00 0.00 58.31 57.63 2kbz n LYS 78 Cb 0.62 -1.61 -0.11 0.00 -0.65 0.00 0.00 35.03 33.28 2kbz n LYS 78 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2kbz n ASP 79 N -1.76 0.86 0.00 -5.58 2.03 -1.26 -5.01 116.55 105.84 2kbz n ASP 79 Ca 0.05 -0.85 0.00 0.00 0.52 0.00 0.00 54.79 54.51 2kbz n ASP 79 Cb 0.31 1.10 0.00 0.00 -0.72 0.00 0.00 41.12 41.81 2kbz n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kbz n GLY 80 N 1.45 0.74 3.96 0.27 0.00 -1.09 -5.11 105.19 105.42 2kbz n GLY 80 Ca 0.03 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 2kbz n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kbz s ASN 81 N -2.47 5.42 0.25 1.61 4.22 -1.26 -4.80 114.94 117.91 2kbz s ASN 81 Ca 0.00 0.11 -0.18 0.00 -2.14 0.00 0.00 52.86 50.65 2kbz s ASN 81 Cb 0.00 -1.09 -0.08 0.00 1.28 0.00 0.00 41.25 41.35 2kbz s ASN 81 CO 0.00 -1.04 0.72 -1.61 -2.04 0.00 0.00 177.10 173.13 2kbz s GLU 82 N -4.73 4.17 -0.00 3.55 8.01 -1.26 -0.60 118.70 127.83 2kbz s GLU 82 Ca 0.55 0.80 0.05 0.00 0.01 0.00 0.00 54.97 56.37 2kbz s GLU 82 Cb -0.10 -2.75 -0.03 0.00 -4.31 0.00 0.00 34.13 26.93 2kbz s GLU 82 CO 0.39 0.33 -0.13 0.45 0.01 0.00 0.00 175.26 176.30 2kbz s SER 83 N -1.83 4.12 -0.21 -0.19 0.15 0.17 -4.85 113.70 111.06 2kbz s SER 83 Ca 0.46 -0.26 -0.00 0.00 0.70 0.00 0.00 55.95 56.85 2kbz s SER 83 Cb -0.15 -0.83 0.02 0.00 -1.71 0.00 0.00 66.02 63.36 2kbz s SER 83 CO 0.20 0.29 -0.13 -0.63 1.20 0.00 0.00 173.24 174.17 2kbz s ILE 84 N -0.88 2.46 1.11 6.45 1.09 -1.26 -4.88 121.20 125.28 2kbz s ILE 84 Ca 0.14 -1.00 -0.17 0.00 -1.10 0.00 0.00 60.65 58.53 2kbz s ILE 84 Cb -0.11 -2.16 0.24 0.00 -1.06 0.00 0.00 42.46 39.38 2kbz s ILE 84 CO 0.04 0.36 1.13 -2.16 -0.10 0.00 0.00 174.94 174.21 2kbz s PRO 85 N 1.30 -0.45 -0.02 2.79 0.05 -1.26 -4.89 135.00 132.52 2kbz s PRO 85 Ca 0.02 0.06 -0.26 0.00 0.05 0.00 0.00 61.00 60.87 2kbz s PRO 85 Cb -0.15 -1.67 -0.20 0.00 0.05 0.00 0.00 34.50 32.52 2kbz s PRO 85 CO -0.08 -3.23 1.26 1.03 0.05 0.00 0.00 177.00 176.03 2kbz h SER 86 N -2.23 -0.01 0.33 6.66 0.87 -2.01 -0.63 113.55 116.52 2kbz h SER 86 Ca -0.48 -0.48 -0.05 0.00 -1.23 0.00 0.00 61.79 59.56 2kbz h SER 86 Cb 1.30 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.26 2kbz h SER 86 CO 0.43 0.47 -0.22 1.23 -0.53 0.00 0.00 176.83 178.21 2kbz h GLY 87 N -0.50 0.00 2.00 5.77 0.00 -1.97 -1.15 103.07 107.22 2kbz h GLY 87 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 2kbz h GLY 87 CO 0.00 0.00 -0.33 -2.08 0.00 0.00 0.00 176.54 174.13 2kbz h VAL 88 N 0.00 0.59 -0.30 4.60 2.07 -1.86 -2.85 116.25 118.51 2kbz h VAL 88 Ca -0.00 -1.76 -0.10 0.00 0.82 0.00 0.00 66.70 65.66 2kbz h VAL 88 Cb 0.45 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 2kbz h VAL 88 CO 0.03 0.33 -0.20 0.25 0.02 0.00 0.00 177.57 177.99 2kbz h LEU 89 N 0.00 0.71 -0.92 2.57 6.46 0.19 0.40 115.31 124.72 2kbz h LEU 89 Ca -0.00 -0.43 -0.08 0.00 -0.12 0.00 0.00 57.88 57.25 2kbz h LEU 89 Cb 1.21 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.92 2kbz h LEU 89 CO 0.04 0.99 -0.04 -0.29 -0.62 0.00 0.00 178.44 178.52 2kbz h ILE 90 N 0.43 1.24 0.79 4.05 2.10 -1.60 -2.75 117.51 121.77 2kbz h ILE 90 Ca 0.06 -1.04 -0.04 0.00 1.08 0.00 0.00 64.86 64.92 2kbz h ILE 90 Cb 0.75 0.95 0.01 0.00 -1.09 0.00 0.00 36.82 37.44 2kbz h ILE 90 CO 0.06 0.36 -0.38 0.15 -1.08 0.00 0.00 178.15 177.26 2kbz h PHE 91 N 0.69 -0.98 0.67 2.19 3.57 -1.38 -2.85 116.94 118.85 2kbz h PHE 91 Ca 0.13 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 2kbz h PHE 91 Cb 0.49 0.33 0.01 0.00 2.79 0.00 0.00 35.95 39.56 2kbz h PHE 91 CO 0.02 -0.60 -0.32 -0.39 -2.23 0.00 0.00 178.31 174.79 2kbz h VAL 92 N -1.14 0.32 -0.36 1.41 -1.51 -0.92 0.81 116.25 114.86 2kbz h VAL 92 Ca -0.11 -0.08 0.07 0.00 -1.23 0.00 0.00 66.70 65.35 2kbz h VAL 92 Cb 0.83 0.34 -0.06 0.00 -2.13 0.00 0.00 31.29 30.27 2kbz h VAL 92 CO 0.18 0.01 -0.03 0.00 -1.23 0.00 0.00 177.57 176.50 2kbz h ALA 93 N -0.66 0.30 0.00 5.19 0.00 -1.68 -2.70 119.26 119.72 2kbz h ALA 93 Ca -0.09 0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2kbz h ALA 93 Cb 0.71 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2kbz h ALA 93 CO 0.15 -0.42 -0.62 0.87 0.00 0.00 0.00 179.25 179.23 2kbz h LYS 94 N 0.07 0.00 -0.22 0.00 1.57 -1.49 -2.59 116.57 113.91 2kbz h LYS 94 Ca 0.18 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.97 2kbz h LYS 94 Cb 0.26 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2kbz h LYS 94 CO -0.32 0.62 0.11 0.00 -0.57 0.00 0.00 179.45 179.29 2kbz h ALA 95 N 1.38 0.26 0.08 3.86 0.00 -0.81 -1.96 119.26 122.08 2kbz h ALA 95 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 2kbz h ALA 95 Cb 1.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2kbz h ALA 95 CO 0.08 -0.30 -1.12 0.00 0.00 0.00 0.00 179.25 177.91 2kbz h ALA 96 N 1.11 0.21 0.00 0.00 0.00 -1.54 -1.70 119.26 117.35 2kbz h ALA 96 Ca 0.09 -0.82 -0.04 0.00 0.00 0.00 0.00 54.91 54.14 2kbz h ALA 96 Cb 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2kbz h ALA 96 CO -0.06 0.92 -0.19 -0.56 0.00 0.00 0.00 179.25 179.36 2kbz h GLN 97 N 0.12 0.00 0.17 0.00 3.07 -1.49 -0.05 115.11 116.93 2kbz h GLN 97 Ca -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.62 2kbz h GLN 97 Cb 1.81 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.38 2kbz h GLN 97 CO 0.19 0.19 -0.08 0.35 0.09 0.00 0.00 178.83 179.57 2kbz h PHE 98 N 0.00 -0.21 -0.14 0.06 3.04 -1.29 -3.32 116.94 115.07 2kbz h PHE 98 Ca -0.00 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.83 2kbz h PHE 98 Cb 0.75 0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.33 2kbz h PHE 98 CO 0.00 0.19 -0.33 -0.92 -2.02 0.00 0.00 178.31 175.23 2kbz h TYR 99 N -0.91 0.61 0.00 0.41 3.20 -1.35 -2.98 116.97 115.95 2kbz h TYR 99 Ca -0.02 -0.23 -0.12 0.00 3.14 0.00 0.00 58.73 61.49 2kbz h TYR 99 Cb 0.50 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2kbz h TYR 99 CO 0.08 0.96 -0.58 1.98 -1.64 0.00 0.00 178.16 178.95 2kbz h MET 100 N 0.09 0.00 0.08 1.82 4.05 -1.21 -3.35 114.93 116.41 2kbz h MET 100 Ca -0.00 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2kbz h MET 100 Cb 0.94 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.74 2kbz h MET 100 CO 0.07 0.58 -0.04 1.79 0.23 0.00 0.00 176.91 179.55 2kbz h THR 101 N 0.00 0.40 0.00 -0.77 1.35 -1.68 -3.26 112.91 108.94 2kbz h THR 101 Ca -0.01 -1.19 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 2kbz h THR 101 Cb 1.21 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 2kbz h THR 101 CO 0.08 0.13 0.00 -3.20 -0.25 0.00 0.00 175.52 172.27 2kbz n ASN 102 N -4.82 0.00 -0.03 5.36 4.05 -0.93 -4.45 115.26 114.44 2kbz n ASN 102 Ca -0.04 0.00 -0.01 0.00 0.45 0.00 0.00 54.58 54.99 2kbz n ASN 102 Cb 0.14 0.00 0.27 0.00 1.23 0.00 0.00 39.78 41.42 2kbz n ASN 102 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2kbz h ALA 103 N 0.00 1.33 0.00 5.20 0.00 -1.65 -3.48 119.26 120.66 2kbz h ALA 103 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2kbz h ALA 103 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2kbz h ALA 103 CO 0.00 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.13 2kbz n GLY 104 N -0.87 0.49 0.00 0.00 0.00 -1.26 -5.05 105.19 98.49 2kbz n GLY 104 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.65 0.99 -0.00 -1.26 -4.92 117.00 111.16 2kbz n LEU 105 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 56.01 56.06 2kbz n LEU 105 Cb 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 43.51 2kbz n LEU 105 CO 0.00 0.00 0.32 1.07 -0.00 0.00 0.00 177.39 178.78 2kbz n THR 106 N -1.13 1.05 -2.20 1.47 5.66 -1.26 -5.01 114.28 112.85 2kbz n THR 106 Ca 0.00 -1.64 -0.42 0.00 -3.05 0.00 0.00 64.05 58.94 2kbz n THR 106 Cb 0.00 0.24 0.00 0.00 -1.55 0.00 0.00 70.33 69.02 2kbz n THR 106 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kbz n GLY 107 N -0.54 4.76 1.33 1.09 0.00 -1.26 -4.14 105.19 106.43 2kbz n GLY 107 Ca 0.10 -2.02 -0.05 0.00 0.00 0.00 0.00 46.02 44.05 2kbz n GLY 107 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kbz n ARG 108 N 3.94 0.29 -1.91 1.61 1.85 -1.23 -2.20 116.66 119.01 2kbz n ARG 108 Ca 0.44 -0.95 -0.02 0.00 -1.00 0.00 0.00 57.85 56.32 2kbz n ARG 108 Cb 0.35 0.47 0.00 0.00 -1.05 0.00 0.00 32.46 32.24 2kbz n ARG 108 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2kbz n SER 109 N -0.33 -3.81 -4.24 2.89 7.64 -1.26 -5.06 113.62 109.46 2kbz n SER 109 Ca -0.23 0.15 -0.36 0.00 1.01 0.00 0.00 58.87 59.44 2kbz n SER 109 Cb 0.70 -2.33 -0.13 0.00 -1.01 0.00 0.00 64.21 61.43 2kbz n SER 109 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2kbz s MET 110 N -1.61 2.75 0.45 1.43 1.75 -1.26 -5.02 119.30 117.79 2kbz s MET 110 Ca 0.07 -1.06 0.25 0.00 -1.25 0.00 0.00 55.69 53.69 2kbz s MET 110 Cb -0.02 -3.23 0.62 0.00 2.84 0.00 0.00 34.83 35.05 2kbz s MET 110 CO 0.23 -0.52 1.71 0.38 -0.65 0.00 0.00 175.02 176.17 2kbz h ASP 111 N 8.10 0.00 -1.25 1.11 2.03 -1.97 -3.35 116.42 121.09 2kbz h ASP 111 Ca -0.27 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 55.54 2kbz h ASP 111 Cb 1.09 0.00 -0.41 0.00 -0.83 0.00 0.00 39.33 39.18 2kbz h ASP 111 CO 0.58 0.09 -0.93 1.07 -1.03 0.00 0.00 179.24 179.02 2kbz n THR 112 N -3.15 1.81 0.03 1.15 5.66 -1.26 -4.80 114.28 113.72 2kbz n THR 112 Ca 0.02 -4.11 0.01 0.00 -3.05 0.00 0.00 64.05 56.92 2kbz n THR 112 Cb 0.49 -0.43 0.02 0.00 -1.55 0.00 0.00 70.33 68.86 2kbz n THR 112 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 2kbz n VAL 113 N -0.33 0.47 -2.44 1.08 3.14 -1.26 -4.96 118.33 114.03 2kbz n VAL 113 Ca 0.27 -0.73 -0.05 0.00 -2.96 0.00 0.00 64.34 60.86 2kbz n VAL 113 Cb 0.74 0.79 0.02 0.00 -1.06 0.00 0.00 33.84 34.33 2kbz n VAL 113 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2kbz n SER 114 N -0.07 -2.15 -3.23 6.55 7.64 -1.26 -4.92 113.62 116.17 2kbz n SER 114 Ca 0.02 -0.17 -0.21 0.00 1.01 0.00 0.00 58.87 59.53 2kbz n SER 114 Cb 0.16 -1.75 -0.04 0.00 -1.01 0.00 0.00 64.21 61.57 2kbz n SER 114 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kbz n TYR 115 N -2.00 0.36 -4.75 1.43 9.36 -1.26 -4.90 117.16 115.39 2kbz n TYR 115 Ca -0.07 -0.82 -0.32 0.00 3.32 0.00 0.00 57.90 60.01 2kbz n TYR 115 Cb 0.54 -0.89 -0.17 0.00 -0.63 0.00 0.00 39.34 38.20 2kbz n TYR 115 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 2kbz s ASN 116 N 5.40 3.06 0.00 2.98 0.02 -1.26 -4.98 114.94 120.15 2kbz s ASN 116 Ca 0.32 -0.58 0.26 0.00 -1.02 0.00 0.00 52.86 51.83 2kbz s ASN 116 Cb 0.07 -1.41 1.53 0.00 0.02 0.00 0.00 41.25 41.45 2kbz s ASN 116 CO 0.11 0.09 1.91 0.49 0.02 0.00 0.00 177.10 179.72 2kbz n PHE 117 N 3.98 0.00 0.85 2.20 3.72 -1.26 0.29 117.46 127.24 2kbz n PHE 117 Ca -0.20 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.33 2kbz n PHE 117 Cb 0.52 0.00 0.31 0.00 -0.94 0.00 0.00 39.48 39.36 2kbz n PHE 117 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kbz n ALA 118 N -0.97 3.05 0.00 4.37 0.00 -1.26 -4.38 120.51 121.32 2kbz n ALA 118 Ca 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2kbz n ALA 118 Cb 0.09 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.73 0.00 -3.87 0.00 5.66 -0.80 -5.06 114.28 108.48 2kbz n THR 119 Ca 0.05 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.71 2kbz n THR 119 Cb 0.37 -0.11 -0.13 0.00 -1.55 0.00 0.00 70.33 68.92 2kbz n THR 119 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2kbz s GLU 120 N -1.18 1.85 0.27 1.09 0.41 0.15 -5.08 118.70 116.20 2kbz s GLU 120 Ca 0.00 -1.81 -0.21 0.00 -0.41 0.00 0.00 54.97 52.54 2kbz s GLU 120 Cb 0.00 -3.44 0.02 0.00 -1.78 0.00 0.00 34.13 28.94 2kbz s GLU 120 CO 0.00 -1.01 0.70 0.96 -0.49 0.00 0.00 175.26 175.43 2kbz s ILE 121 N 1.06 0.00 0.48 -1.63 -5.25 -1.26 -4.29 121.20 110.31 2kbz s ILE 121 Ca 0.08 -0.92 -0.24 0.00 -0.99 0.00 0.00 60.65 58.59 2kbz s ILE 121 Cb -0.21 -1.91 -0.07 0.00 2.95 0.00 0.00 42.46 43.21 2kbz s ILE 121 CO -0.05 -0.00 1.31 -2.84 -1.79 0.00 0.00 174.94 171.57 2kbz s PRO 122 N -3.91 3.57 0.18 0.37 0.02 -1.26 -4.98 135.00 128.99 2kbz s PRO 122 Ca 0.10 2.14 0.25 0.00 0.02 0.00 0.00 61.00 63.51 2kbz s PRO 122 Cb -0.05 -2.48 0.91 0.00 0.02 0.00 0.00 34.50 32.90 2kbz s PRO 122 CO 0.05 -0.82 1.75 0.45 -0.33 0.00 0.00 177.00 178.11 2kbz n SER 123 N -0.49 0.58 -0.07 2.53 2.88 -1.26 -2.99 113.62 114.80 2kbz n SER 123 Ca 0.07 0.58 -0.07 0.00 -1.33 0.00 0.00 58.87 58.12 2kbz n SER 123 Cb 0.45 -0.73 -0.04 0.00 -0.75 0.00 0.00 64.21 63.14 2kbz n SER 123 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2kbz h THR 124 N 0.00 0.36 0.00 2.46 2.02 -2.04 -3.42 112.91 112.29 2kbz h THR 124 Ca 0.00 -1.36 -0.09 0.00 0.77 0.00 0.00 66.41 65.73 2kbz h THR 124 Cb 0.55 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 2kbz h THR 124 CO 0.00 0.12 -0.42 0.16 0.37 0.00 0.00 175.52 175.76 2kbz h ILE 125 N -1.00 1.08 -0.32 3.11 -0.00 -1.99 -3.29 117.51 115.10 2kbz h ILE 125 Ca -0.06 -1.54 0.09 0.00 -0.00 0.00 0.00 64.86 63.35 2kbz h ILE 125 Cb 0.56 1.89 -0.01 0.00 -0.00 0.00 0.00 36.82 39.26 2kbz h ILE 125 CO -0.04 0.41 0.32 0.25 -0.00 0.00 0.00 178.15 179.09 2kbz h LEU 126 N 0.00 0.00 -1.24 0.16 7.12 -1.79 0.52 115.31 120.08 2kbz h LEU 126 Ca -0.00 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.94 2kbz h LEU 126 Cb 0.85 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.97 2kbz h LEU 126 CO 0.05 0.00 -0.34 0.50 -0.13 0.00 0.00 178.44 178.53 2kbz h LYS 127 N 0.00 0.00 0.00 1.25 1.63 -1.84 -3.02 116.57 114.59 2kbz h LYS 127 Ca 0.15 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 2kbz h LYS 127 Cb 0.78 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 2kbz h LYS 127 CO -0.00 0.34 -0.15 1.17 -3.45 0.00 0.00 179.45 177.35 2kbz n LYS 128 N -3.77 0.24 0.22 1.90 4.81 0.18 -3.73 118.16 118.01 2kbz n LYS 128 Ca -0.01 0.16 0.17 0.00 -0.87 0.00 0.00 58.31 57.76 2kbz n LYS 128 Cb 0.42 -1.74 0.86 0.00 0.02 0.00 0.00 35.03 34.59 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 0.06 3.14 7.12 -1.32 -3.34 115.31 120.97 2kbz h LEU 129 Ca 0.00 0.00 -0.35 0.00 0.13 0.00 0.00 57.88 57.66 2kbz h LEU 129 Cb 0.71 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.80 2kbz h LEU 129 CO 0.00 0.00 -1.99 0.59 -0.13 0.00 0.00 178.44 176.91 2kbz n ASN 130 N -3.68 1.56 0.00 1.25 3.02 -1.24 -4.73 115.26 111.43 2kbz n ASN 130 Ca 0.01 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 2kbz n ASN 130 Cb 0.31 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 2kbz n ASN 130 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2kbz n PRO 131 N -3.26 0.00 0.00 3.52 -0.02 -1.25 -2.82 135.00 131.16 2kbz n PRO 131 Ca -0.29 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2kbz n PRO 131 Cb 1.05 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.99 2kbz n PRO 131 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2kbz n TYR 132 N -1.37 0.00 -3.17 6.00 9.36 -1.26 -4.93 117.16 121.80 2kbz n TYR 132 Ca 0.00 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.15 2kbz n TYR 132 Cb 0.04 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.75 2kbz n TYR 132 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2kbz n ARG 133 N -0.51 -0.54 -1.91 2.98 1.74 -1.13 -2.23 116.66 115.06 2kbz n ARG 133 Ca 0.00 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 2kbz n ARG 133 Cb 0.00 -0.17 0.00 0.00 -1.02 0.00 0.00 32.46 31.27 2kbz n ARG 133 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2kbz n LYS 134 N -1.26 0.00 0.26 5.56 4.76 -1.26 -5.02 118.16 121.20 2kbz n LYS 134 Ca -0.05 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.50 2kbz n LYS 134 Cb 0.13 -2.23 0.71 0.00 -1.84 0.00 0.00 35.03 31.81 2kbz n LYS 134 CO 0.00 0.00 0.00 1.98 -1.37 0.00 0.00 177.40 178.01 2kbz h MET 135 N 0.00 0.00 -2.57 1.97 4.05 -1.81 -3.45 114.93 113.13 2kbz h MET 135 Ca 0.00 0.00 0.12 0.00 -0.28 0.00 0.00 59.70 59.54 2kbz h MET 135 Cb 0.89 0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 31.61 2kbz h MET 135 CO 0.00 0.08 0.39 0.00 0.23 0.00 0.00 176.91 177.62 2kbz s ALA 136 N -4.57 -1.55 0.00 0.39 0.00 -1.26 -5.14 121.76 109.62 2kbz s ALA 136 Ca -0.04 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.07 2kbz s ALA 136 Cb 0.15 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.96 2kbz s ALA 136 CO 0.62 -0.97 0.00 2.89 0.00 0.00 0.00 175.76 178.29