#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 0.00 -0.27 2.61 2.43 -2.07 -2.59 114.38 114.49 2kbz h ARG 40 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2kbz h ARG 40 Cb 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2kbz h ARG 40 CO 0.00 0.20 -0.07 -0.39 -1.51 0.00 0.00 179.97 178.20 2kbz h VAL 41 N 0.00 1.20 0.00 0.20 -1.51 -2.07 -2.93 116.25 111.14 2kbz h VAL 41 Ca -0.00 -0.84 -0.05 0.00 -1.23 0.00 0.00 66.70 64.57 2kbz h VAL 41 Cb 0.41 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.63 2kbz h VAL 41 CO 0.03 0.28 -0.25 0.11 -1.23 0.00 0.00 177.57 176.50 2kbz h LYS 42 N 0.42 0.00 0.00 5.19 1.57 -1.91 -3.15 116.57 118.69 2kbz h LYS 42 Ca 0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2kbz h LYS 42 Cb 0.38 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 2kbz h LYS 42 CO 0.02 0.25 -0.03 0.00 -0.57 0.00 0.00 179.45 179.12 2kbz h ARG 43 N 0.00 0.00 -0.43 3.15 3.08 -1.61 0.80 114.38 119.38 2kbz h ARG 43 Ca -0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 2kbz h ARG 43 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2kbz h ARG 43 CO 0.03 0.03 -0.30 -0.07 -1.07 0.00 0.00 179.97 178.60 2kbz h LEU 44 N 0.00 0.99 0.00 3.04 3.38 -1.72 -3.34 115.31 117.66 2kbz h LEU 44 Ca -0.00 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2kbz h LEU 44 Cb 0.09 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.56 2kbz h LEU 44 CO 0.00 1.21 -1.50 0.00 0.09 0.00 0.00 178.44 178.24 2kbz n LEU 45 N -4.08 0.04 0.16 1.67 -0.00 -0.99 -4.31 117.00 109.48 2kbz n LEU 45 Ca -0.01 -0.03 0.12 0.00 -0.00 0.00 0.00 56.01 56.09 2kbz n LEU 45 Cb 0.50 0.00 0.22 0.00 -0.00 0.00 0.00 43.42 44.14 2kbz n LEU 45 CO 0.47 0.01 0.69 -1.28 -0.00 0.00 0.00 177.39 177.28 2kbz h SER 46 N 0.00 0.00 0.00 1.45 0.87 0.45 -3.06 113.55 113.26 2kbz h SER 46 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2kbz h SER 46 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2kbz h SER 46 CO 0.00 0.01 0.00 2.30 -0.53 0.00 0.00 176.83 178.61 2kbz n ILE 47 N -2.70 0.00 -1.59 2.23 -5.35 -1.25 -4.57 119.36 106.13 2kbz n ILE 47 Ca 0.04 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.10 2kbz n ILE 47 Cb 0.49 -0.31 -0.02 0.00 -1.74 0.00 0.00 39.64 38.06 2kbz n ILE 47 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2kbz n THR 48 N -0.86 2.95 0.00 7.28 -2.24 -1.26 -2.39 114.28 117.76 2kbz n THR 48 Ca 0.00 -2.60 0.00 0.00 -2.27 0.00 0.00 64.05 59.18 2kbz n THR 48 Cb 0.00 -2.51 0.00 0.00 -2.10 0.00 0.00 70.33 65.72 2kbz n THR 48 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2kbz n ASN 49 N 6.74 0.00 0.00 3.42 3.02 -1.26 -4.63 115.26 122.55 2kbz n ASN 49 Ca 0.51 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.06 2kbz n ASN 49 Cb 0.40 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 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 -0.16 6.41 8.00 -1.14 -4.83 116.55 124.83 2kbz n ASP 50 Ca 0.00 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.64 2kbz n ASP 50 Cb 0.00 0.00 0.55 0.00 -0.02 0.00 0.00 41.12 41.65 2kbz n ASP 50 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2kbz n LYS 51 N 0.00 0.75 -0.03 -1.24 4.81 -1.24 -4.39 118.16 116.82 2kbz n LYS 51 Ca 0.00 -0.32 0.05 0.00 -0.87 0.00 0.00 58.31 57.17 2kbz n LYS 51 Cb 0.00 -1.49 0.06 0.00 0.02 0.00 0.00 35.03 33.62 2kbz n LYS 51 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2kbz n HIS 52 N -0.85 0.08 -0.24 5.64 8.25 -1.01 -4.51 115.22 122.58 2kbz n HIS 52 Ca 0.14 -0.09 -0.02 0.00 -0.26 0.00 0.00 57.72 57.49 2kbz n HIS 52 Cb 0.30 -0.01 0.18 0.00 1.12 0.00 0.00 29.99 31.58 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 1.92 0.94 -0.19 0.41 3.04 -1.76 0.44 116.42 121.22 2kbz h ASP 53 Ca 0.00 -0.07 -0.20 0.00 -3.24 0.00 0.00 57.03 53.52 2kbz h ASP 53 Cb 0.47 -0.24 0.01 0.00 -1.04 0.00 0.00 39.33 38.53 2kbz h ASP 53 CO 0.00 0.75 -0.68 1.05 -2.04 0.00 0.00 179.24 178.32 2kbz h GLU 54 N 1.07 0.79 0.03 4.15 4.11 -1.93 -3.26 114.58 119.54 2kbz h GLU 54 Ca 0.27 -0.60 -0.24 0.00 0.07 0.00 0.00 59.36 58.87 2kbz h GLU 54 Cb 0.01 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2kbz h GLU 54 CO -0.05 1.22 -1.00 -0.92 0.07 0.00 0.00 179.01 178.33 2kbz h TYR 55 N 0.53 0.63 0.28 2.06 3.20 -1.69 -3.23 116.97 118.74 2kbz h TYR 55 Ca -0.03 -0.36 -0.01 0.00 3.14 0.00 0.00 58.73 61.47 2kbz h TYR 55 Cb 1.30 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.51 2kbz h TYR 55 CO 0.09 1.19 -0.13 -0.07 -1.64 0.00 0.00 178.16 177.60 2kbz h LEU 56 N 0.22 -0.31 -2.00 2.82 4.07 -0.28 -3.30 115.31 116.53 2kbz h LEU 56 Ca -0.09 -0.14 0.34 0.00 0.08 0.00 0.00 57.88 58.06 2kbz h LEU 56 Cb 1.65 0.08 -0.05 0.00 1.08 0.00 0.00 40.66 43.43 2kbz h LEU 56 CO 0.17 -0.03 0.84 0.71 -1.08 0.00 0.00 178.44 179.05 2kbz h THR 57 N -0.60 0.41 0.11 0.22 1.35 -1.70 -2.87 112.91 109.82 2kbz h THR 57 Ca -0.04 0.00 -0.15 0.00 -0.55 0.00 0.00 66.41 65.67 2kbz h THR 57 Cb 0.44 0.42 0.02 0.00 -1.73 0.00 0.00 68.15 67.29 2kbz h THR 57 CO 0.06 0.00 -0.66 -0.33 -0.25 0.00 0.00 175.52 174.35 2kbz h GLU 58 N 0.00 0.25 -0.54 4.72 4.39 -1.63 -3.36 114.58 118.41 2kbz h GLU 58 Ca 0.55 -0.42 0.10 0.00 0.34 0.00 0.00 59.36 59.93 2kbz h GLU 58 Cb 2.22 0.15 -0.08 0.00 -0.10 0.00 0.00 28.75 30.95 2kbz h GLU 58 CO -0.01 1.20 0.08 0.52 -1.16 0.00 0.00 179.01 179.64 2kbz h MET 59 N -0.48 0.20 -0.23 2.33 2.86 -1.60 -2.96 114.93 115.05 2kbz h MET 59 Ca -0.11 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.42 2kbz h MET 59 Cb 1.51 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 33.13 2kbz h MET 59 CO 0.12 0.13 -0.21 -0.24 1.06 0.00 0.00 176.91 177.77 2kbz h VAL 60 N 0.21 1.32 0.00 -2.22 3.04 -1.76 -2.60 116.25 114.23 2kbz h VAL 60 Ca 0.27 -1.37 0.00 0.00 -1.01 0.00 0.00 66.70 64.60 2kbz h VAL 60 Cb 0.40 1.69 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 2kbz h VAL 60 CO -0.38 0.42 0.00 -0.65 -1.01 0.00 0.00 177.57 175.95 2kbz h PRO 61 N 0.25 0.00 -0.43 4.17 0.11 -1.70 0.21 132.00 134.60 2kbz h PRO 61 Ca 0.04 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.17 2kbz h PRO 61 Cb 0.76 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.84 2kbz h PRO 61 CO 0.05 0.00 0.26 -0.07 -0.21 0.00 0.00 178.00 178.03 2kbz h LEU 62 N 0.00 0.42 0.30 2.35 3.38 -1.29 0.12 115.31 120.58 2kbz h LEU 62 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2kbz h LEU 62 Cb 0.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2kbz h LEU 62 CO 0.00 0.30 -0.14 0.25 0.09 0.00 0.00 178.44 178.94 2kbz h LEU 63 N 0.52 -0.34 -0.52 1.67 5.85 -1.26 -2.86 115.31 118.37 2kbz h LEU 63 Ca 0.17 -0.10 -0.16 0.00 0.84 0.00 0.00 57.88 58.63 2kbz h LEU 63 Cb 0.00 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2kbz h LEU 63 CO -0.07 -0.10 -0.69 1.62 -0.34 0.00 0.00 178.44 178.86 2kbz h VAL 64 N -0.57 1.41 -0.11 1.05 3.04 -0.64 -2.71 116.25 117.72 2kbz h VAL 64 Ca -0.04 -2.15 -0.20 0.00 -1.01 0.00 0.00 66.70 63.31 2kbz h VAL 64 Cb 0.41 2.12 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 2kbz h VAL 64 CO 0.07 0.63 -0.73 -0.08 -1.01 0.00 0.00 177.57 176.45 2kbz h GLU 65 N 0.19 0.55 -0.33 4.17 4.81 -0.89 0.36 114.58 123.44 2kbz h GLU 65 Ca -0.02 -0.44 0.06 0.00 -0.13 0.00 0.00 59.36 58.84 2kbz h GLU 65 Cb 1.23 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.64 2kbz h GLU 65 CO 0.11 1.06 -0.04 0.35 -0.73 0.00 0.00 179.01 179.76 2kbz h PHE 66 N 0.38 -0.10 -0.16 0.92 3.04 -1.55 -2.33 116.94 117.14 2kbz h PHE 66 Ca -0.03 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 61.88 2kbz h PHE 66 Cb 1.32 0.09 -0.00 0.00 2.56 0.00 0.00 35.95 39.92 2kbz h PHE 66 CO 0.06 -0.10 -0.15 0.00 -2.02 0.00 0.00 178.31 176.10 2kbz h ALA 67 N 1.31 0.23 0.00 2.41 0.00 -1.23 -3.35 119.26 118.63 2kbz h ALA 67 Ca 0.16 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2kbz h ALA 67 Cb 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2kbz h ALA 67 CO -0.30 0.12 -0.23 -0.22 0.00 0.00 0.00 179.25 178.62 2kbz h LYS 68 N 0.03 0.00 0.00 0.00 3.64 -0.36 -3.29 116.57 116.59 2kbz h LYS 68 Ca 0.03 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2kbz h LYS 68 Cb 0.68 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2kbz h LYS 68 CO 0.04 0.23 -0.01 0.22 -2.27 0.00 0.00 179.45 177.65 2kbz h ASP 69 N 0.00 0.00 -0.82 4.20 3.58 -1.54 -3.27 116.42 118.57 2kbz h ASP 69 Ca -0.00 0.00 0.10 0.00 0.42 0.00 0.00 57.03 57.54 2kbz h ASP 69 Cb 0.97 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.95 2kbz h ASP 69 CO 0.03 0.01 0.46 -0.08 -2.88 0.00 0.00 179.24 176.78 2kbz h GLU 70 N 0.00 0.74 -0.02 0.28 4.22 -1.74 -3.06 114.58 115.00 2kbz h GLU 70 Ca -0.00 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.40 2kbz h GLU 70 Cb 0.06 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2kbz h GLU 70 CO 0.00 0.49 0.00 0.00 -2.18 0.00 0.00 179.01 177.32 2kbz n HIS 72 N 0.61 -1.66 -3.15 0.00 8.25 -1.16 -4.98 115.22 113.13 2kbz n HIS 72 Ca 0.06 0.58 -0.32 0.00 -0.26 0.00 0.00 57.72 57.79 2kbz n HIS 72 Cb 0.27 -3.62 -0.06 0.00 1.12 0.00 0.00 29.99 27.70 2kbz n HIS 72 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2kbz s ASN 73 N -3.29 6.75 -1.49 0.41 3.84 -1.23 -4.97 114.94 114.95 2kbz s ASN 73 Ca 0.30 1.24 -0.10 0.00 0.21 0.00 0.00 52.86 54.51 2kbz s ASN 73 Cb -0.04 -2.36 -0.08 0.00 -0.55 0.00 0.00 41.25 38.23 2kbz s ASN 73 CO 0.50 -0.20 2.78 -0.81 -2.79 0.00 0.00 177.10 176.58 2kbz n PRO 74 N -0.40 3.37 0.00 0.43 -0.04 -1.26 -4.58 135.00 132.53 2kbz n PRO 74 Ca 0.03 -2.09 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 2kbz n PRO 74 Cb 0.53 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 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 3.83 0.00 -4.34 0.54 1.16 -1.26 -4.71 117.46 112.68 2kbz n PHE 75 Ca 0.72 -0.01 -0.21 0.00 -1.87 0.00 0.00 57.45 56.07 2kbz n PHE 75 Cb 0.22 -0.10 -0.13 0.00 -1.61 0.00 0.00 39.48 37.87 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 -0.98 1.33 0.38 1.97 1.01 -1.26 -0.37 121.20 123.28 2kbz s ILE 76 Ca 0.00 -1.23 0.08 0.00 0.00 0.00 0.00 60.65 59.50 2kbz s ILE 76 Cb 0.00 -1.22 -0.05 0.00 0.01 0.00 0.00 42.46 41.21 2kbz s ILE 76 CO 0.00 -0.03 0.14 -1.81 0.00 0.00 0.00 174.94 173.24 2kbz s ASP 77 N -1.46 4.47 0.00 3.58 1.01 0.11 -4.74 116.67 119.63 2kbz s ASP 77 Ca 0.03 -0.96 0.00 0.00 0.71 0.00 0.00 52.55 52.33 2kbz s ASP 77 Cb -0.09 -0.57 0.00 0.00 1.01 0.00 0.00 42.92 43.27 2kbz s ASP 77 CO 0.02 -0.41 0.82 2.29 0.21 0.00 0.00 175.17 178.11 2kbz n LYS 78 N -1.16 0.00 0.00 8.23 2.85 -1.26 -0.51 118.16 126.30 2kbz n LYS 78 Ca -0.02 0.34 0.09 0.00 -1.05 0.00 0.00 58.31 57.66 2kbz n LYS 78 Cb 0.63 -1.59 -0.02 0.00 -0.65 0.00 0.00 35.03 33.40 2kbz n LYS 78 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2kbz n ASP 79 N -1.32 1.63 -0.40 -5.58 8.00 -1.26 -4.97 116.55 112.65 2kbz n ASP 79 Ca 0.00 -1.32 -0.04 0.00 0.71 0.00 0.00 54.79 54.15 2kbz n ASP 79 Cb 0.09 0.56 -0.00 0.00 -0.02 0.00 0.00 41.12 41.74 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 1.28 0.26 3.98 0.44 0.00 0.33 -5.07 105.19 106.41 2kbz n GLY 80 Ca 0.07 -0.75 -0.20 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.85 5.83 0.32 1.61 0.01 -1.24 -4.84 114.94 113.79 2kbz s ASN 81 Ca 0.00 -0.11 -0.25 0.00 -0.71 0.00 0.00 52.86 51.80 2kbz s ASN 81 Cb 0.00 -1.17 -0.10 0.00 0.41 0.00 0.00 41.25 40.39 2kbz s ASN 81 CO 0.00 -0.61 0.92 -0.70 -1.51 0.00 0.00 177.10 175.20 2kbz s GLU 82 N -4.34 4.49 0.21 -0.60 2.12 -1.26 0.05 118.70 119.38 2kbz s GLU 82 Ca 0.48 1.24 0.09 0.00 0.36 0.00 0.00 54.97 57.15 2kbz s GLU 82 Cb -0.10 -2.72 -0.05 0.00 0.26 0.00 0.00 34.13 31.52 2kbz s GLU 82 CO 0.33 0.25 -0.17 0.45 -0.54 0.00 0.00 175.26 175.58 2kbz s SER 83 N -1.70 2.91 -0.15 -1.70 0.15 0.50 -4.72 113.70 108.98 2kbz s SER 83 Ca 0.51 -0.97 -0.03 0.00 0.70 0.00 0.00 55.95 56.16 2kbz s SER 83 Cb -0.17 -0.19 0.05 0.00 -1.71 0.00 0.00 66.02 64.00 2kbz s SER 83 CO 0.22 -0.06 0.04 -0.63 1.20 0.00 0.00 173.24 174.01 2kbz s ILE 84 N -2.53 0.33 0.91 6.45 -1.09 -1.26 -4.79 121.20 119.22 2kbz s ILE 84 Ca 0.22 -0.28 -0.15 0.00 -2.23 0.00 0.00 60.65 58.21 2kbz s ILE 84 Cb -0.04 -0.78 0.21 0.00 -1.58 0.00 0.00 42.46 40.27 2kbz s ILE 84 CO 0.09 -0.10 1.17 -0.81 -1.23 0.00 0.00 174.94 174.06 2kbz n PRO 85 N 5.13 -1.39 0.05 2.79 -0.04 -1.26 -4.90 135.00 135.38 2kbz n PRO 85 Ca -0.08 -1.82 -0.12 0.00 -0.04 0.00 0.00 63.50 61.44 2kbz n PRO 85 Cb 0.48 -1.26 -0.07 0.00 -0.04 0.00 0.00 33.50 32.61 2kbz n PRO 85 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2kbz h SER 86 N -1.70 -0.03 -0.11 3.54 0.02 -1.99 -1.33 113.55 111.96 2kbz h SER 86 Ca -0.39 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.40 2kbz h SER 86 Cb 1.07 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 2kbz h SER 86 CO 0.27 0.02 -0.32 1.23 -1.14 0.00 0.00 176.83 176.89 2kbz h GLY 87 N -0.08 0.65 2.00 -3.77 0.00 -1.91 -2.57 103.07 97.38 2kbz h GLY 87 Ca -0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 2kbz h GLY 87 CO 0.01 0.54 -0.17 -2.08 0.00 0.00 0.00 176.54 174.84 2kbz h VAL 88 N 0.51 0.40 -0.23 4.60 2.07 -1.67 -2.16 116.25 119.77 2kbz h VAL 88 Ca 0.06 -1.02 -0.11 0.00 0.82 0.00 0.00 66.70 66.45 2kbz h VAL 88 Cb 0.81 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2kbz h VAL 88 CO 0.07 0.16 -0.30 0.25 0.02 0.00 0.00 177.57 177.77 2kbz h LEU 89 N 0.00 0.65 -1.70 2.57 6.46 -0.84 0.10 115.31 122.55 2kbz h LEU 89 Ca -0.00 -0.50 -0.04 0.00 -0.12 0.00 0.00 57.88 57.22 2kbz h LEU 89 Cb 0.74 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 2kbz h LEU 89 CO 0.02 1.03 -0.18 -0.29 -0.62 0.00 0.00 178.44 178.40 2kbz h ILE 90 N 0.30 0.84 0.25 4.05 2.10 -1.44 -2.68 117.51 120.92 2kbz h ILE 90 Ca 0.03 -0.70 -0.01 0.00 1.08 0.00 0.00 64.86 65.25 2kbz h ILE 90 Cb 0.87 1.41 0.00 0.00 -1.09 0.00 0.00 36.82 38.02 2kbz h ILE 90 CO 0.07 0.18 -0.12 0.15 -1.08 0.00 0.00 178.15 177.35 2kbz h PHE 91 N 0.00 -0.31 0.57 2.19 3.57 -1.26 -2.43 116.94 119.27 2kbz h PHE 91 Ca -0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2kbz h PHE 91 Cb 0.40 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 2kbz h PHE 91 CO 0.00 0.05 -0.48 -0.39 -2.23 0.00 0.00 178.31 175.26 2kbz h VAL 92 N -0.75 0.05 0.38 1.41 -1.51 -0.76 0.93 116.25 115.99 2kbz h VAL 92 Ca -0.03 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.43 2kbz h VAL 92 Cb 0.50 0.05 -0.02 0.00 -2.13 0.00 0.00 31.29 29.68 2kbz h VAL 92 CO 0.06 0.00 -0.40 0.00 -1.23 0.00 0.00 177.57 176.00 2kbz h ALA 93 N -0.87 -0.87 -0.00 5.19 0.00 -1.68 -2.96 119.26 118.07 2kbz h ALA 93 Ca -0.07 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 2kbz h ALA 93 Cb 0.88 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 2kbz h ALA 93 CO -0.02 -1.03 -0.84 0.87 0.00 0.00 0.00 179.25 178.24 2kbz h LYS 94 N -0.81 0.14 0.12 0.00 1.57 -1.48 -2.70 116.57 113.40 2kbz h LYS 94 Ca -0.03 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2kbz h LYS 94 Cb 0.73 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 2kbz h LYS 94 CO -0.07 0.90 -0.09 0.00 -0.57 0.00 0.00 179.45 179.62 2kbz h ALA 95 N 1.05 -0.19 0.00 3.86 0.00 -0.88 -2.26 119.26 120.84 2kbz h ALA 95 Ca -0.03 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 2kbz h ALA 95 Cb 1.46 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 2kbz h ALA 95 CO 0.12 -0.62 -0.72 0.00 0.00 0.00 0.00 179.25 178.04 2kbz h ALA 96 N 0.67 0.69 -0.64 0.00 0.00 -1.66 -2.85 119.26 115.47 2kbz h ALA 96 Ca -0.00 -0.66 0.07 0.00 0.00 0.00 0.00 54.91 54.32 2kbz h ALA 96 Cb 0.19 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2kbz h ALA 96 CO -0.01 0.90 0.42 0.37 0.00 0.00 0.00 179.25 180.94 2kbz h GLN 97 N 0.00 0.59 0.23 0.00 4.15 -1.20 0.74 115.11 119.61 2kbz h GLN 97 Ca -0.01 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 2kbz h GLN 97 Cb 1.37 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.93 2kbz h GLN 97 CO 0.09 0.39 -0.11 0.35 -1.93 0.00 0.00 178.83 177.62 2kbz h PHE 98 N 0.61 -0.29 -0.22 3.99 3.04 -1.27 -3.33 116.94 119.47 2kbz h PHE 98 Ca 0.28 -0.01 -0.19 0.00 3.98 0.00 0.00 57.97 62.03 2kbz h PHE 98 Cb 0.32 0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.93 2kbz h PHE 98 CO -0.00 0.06 -0.62 0.10 -2.02 0.00 0.00 178.31 175.82 2kbz h TYR 99 N -0.95 0.97 0.00 0.41 -0.00 -1.47 -3.32 116.97 112.60 2kbz h TYR 99 Ca -0.03 -0.37 -0.01 0.00 -0.00 0.00 0.00 58.73 58.32 2kbz h TYR 99 Cb 0.47 -0.17 -0.00 0.00 -0.00 0.00 0.00 36.73 37.03 2kbz h TYR 99 CO 0.06 1.18 -0.04 1.98 -0.00 0.00 0.00 178.16 181.33 2kbz h MET 100 N 0.56 0.00 0.00 0.10 4.05 -1.05 -1.21 114.93 117.38 2kbz h MET 100 Ca -0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2kbz h MET 100 Cb 1.22 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 2kbz h MET 100 CO 0.13 0.04 0.15 1.15 0.23 0.00 0.00 176.91 178.61 2kbz h THR 101 N 0.00 0.00 -0.03 -0.77 2.02 -1.67 0.32 112.91 112.78 2kbz h THR 101 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2kbz h THR 101 Cb 0.09 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2kbz h THR 101 CO 0.01 0.00 -0.07 -3.20 0.37 0.00 0.00 175.52 172.63 2kbz n ASN 102 N -2.62 2.71 -1.60 4.18 2.85 -0.46 -4.77 115.26 115.55 2kbz n ASN 102 Ca -0.02 -1.88 -0.01 0.00 -0.11 0.00 0.00 54.58 52.57 2kbz n ASN 102 Cb 0.19 0.06 0.29 0.00 1.24 0.00 0.00 39.78 41.57 2kbz n ASN 102 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kbz n ALA 103 N 1.04 4.09 1.14 5.20 0.00 0.11 -4.23 120.51 127.86 2kbz n ALA 103 Ca 0.14 -2.41 0.14 0.00 0.00 0.00 0.00 53.44 51.31 2kbz n ALA 103 Cb 0.56 -1.03 0.63 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.31 -1.39 0.99 0.00 0.00 -1.26 -3.10 105.19 100.12 2kbz n GLY 104 Ca 0.34 -0.14 -0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.41 1.06 0.00 0.99 -0.00 -1.26 -4.85 117.00 111.54 2kbz n LEU 105 Ca 0.09 0.14 0.12 0.00 -0.00 0.00 0.00 56.01 56.37 2kbz n LEU 105 Cb 0.31 -0.33 0.33 0.00 -0.00 0.00 0.00 43.42 43.73 2kbz n LEU 105 CO 0.26 -0.71 0.57 1.07 -0.00 0.00 0.00 177.39 178.58 2kbz n THR 106 N -3.46 0.02 1.12 1.47 5.66 -1.26 -4.39 114.28 113.44 2kbz n THR 106 Ca -0.01 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 2kbz n THR 106 Cb 0.03 0.06 0.00 0.00 -1.55 0.00 0.00 70.33 68.87 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 1.49 0.87 0.00 1.09 0.00 -1.18 -2.40 105.19 105.07 2kbz n GLY 107 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.08 0.00 -2.90 1.61 1.85 -1.26 -4.97 116.66 110.91 2kbz n ARG 108 Ca 0.00 -0.05 -0.43 0.00 -1.00 0.00 0.00 57.85 56.37 2kbz n ARG 108 Cb 0.18 -0.05 0.01 0.00 -1.05 0.00 0.00 32.46 31.54 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 0.00 5.98 -0.17 2.89 7.64 -1.01 -4.93 113.62 124.02 2kbz n SER 109 Ca 0.00 -3.28 -0.02 0.00 1.01 0.00 0.00 58.87 56.57 2kbz n SER 109 Cb 0.46 -1.34 0.05 0.00 -1.01 0.00 0.00 64.21 62.38 2kbz n SER 109 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2kbz h MET 110 N 5.72 0.06 0.00 1.43 2.86 -1.94 -3.47 114.93 119.59 2kbz h MET 110 Ca 0.25 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 2kbz h MET 110 Cb 0.66 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.30 2kbz h MET 110 CO 1.36 0.04 0.00 -3.47 1.06 0.00 0.00 176.91 175.90 2kbz n ASP 111 N -5.30 0.00 -0.12 1.22 2.03 -1.26 -1.88 116.55 111.24 2kbz n ASP 111 Ca 0.06 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.16 2kbz n ASP 111 Cb 0.28 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.56 2kbz n ASP 111 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2kbz n THR 112 N 0.00 1.52 0.00 5.18 -2.24 -1.26 -5.03 114.28 112.45 2kbz n THR 112 Ca 0.00 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 2kbz n THR 112 Cb 0.00 -1.54 0.00 0.00 -2.10 0.00 0.00 70.33 66.69 2kbz n THR 112 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2kbz n VAL 113 N -3.47 0.00 0.16 2.28 3.14 -0.79 -4.87 118.33 114.78 2kbz n VAL 113 Ca -0.46 0.00 0.10 0.00 -2.96 0.00 0.00 64.34 61.02 2kbz n VAL 113 Cb 0.97 0.00 0.26 0.00 -1.06 0.00 0.00 33.84 34.02 2kbz n VAL 113 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2kbz n SER 114 N 0.00 3.16 0.00 6.55 2.88 -1.26 -5.02 113.62 119.93 2kbz n SER 114 Ca 0.00 -1.99 0.00 0.00 -1.33 0.00 0.00 58.87 55.55 2kbz n SER 114 Cb 0.00 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 2kbz n SER 114 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2kbz n TYR 115 N 1.23 0.00 -1.88 0.66 4.02 -1.26 -3.65 117.16 116.28 2kbz n TYR 115 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.09 2kbz n TYR 115 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.82 2kbz n TYR 115 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2kbz n ASN 116 N 2.38 0.00 0.00 7.72 2.04 -1.26 -4.90 115.26 121.25 2kbz n ASN 116 Ca 0.00 -1.00 0.00 0.00 -0.44 0.00 0.00 54.58 53.14 2kbz n ASN 116 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 2kbz n ASN 116 CO 0.00 0.00 0.00 0.49 -0.44 0.00 0.00 177.26 177.31 2kbz n PHE 117 N 0.00 0.00 0.00 -2.53 3.72 -1.24 -1.04 117.46 116.37 2kbz n PHE 117 Ca 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 2kbz n PHE 117 Cb 0.35 -0.03 -0.12 0.00 -0.94 0.00 0.00 39.48 38.75 2kbz n PHE 117 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kbz h ALA 118 N 0.18 0.72 0.00 4.37 0.00 -1.92 -3.36 119.26 119.25 2kbz h ALA 118 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 53.67 2kbz h ALA 118 Cb 0.53 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2kbz h ALA 118 CO 0.00 1.36 -0.04 -2.37 0.00 0.00 0.00 179.25 178.20 2kbz n THR 119 N -3.02 0.36 0.08 0.00 5.66 -0.21 -4.86 114.28 112.30 2kbz n THR 119 Ca -0.14 -0.37 0.09 0.00 -3.05 0.00 0.00 64.05 60.59 2kbz n THR 119 Cb 0.98 0.77 -0.14 0.00 -1.55 0.00 0.00 70.33 70.39 2kbz n THR 119 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2kbz n GLU 120 N -0.20 0.61 -3.06 1.09 4.07 -1.24 -5.05 120.64 116.87 2kbz n GLU 120 Ca 0.01 -0.15 -0.23 0.00 -0.06 0.00 0.00 57.16 56.72 2kbz n GLU 120 Cb 0.45 -1.44 0.01 0.00 -0.06 0.00 0.00 31.44 30.40 2kbz n GLU 120 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 2kbz s ILE 121 N -3.24 4.19 0.19 6.31 -0.00 -1.26 -4.95 121.20 122.43 2kbz s ILE 121 Ca -0.05 -0.49 -0.30 0.00 -0.00 0.00 0.00 60.65 59.80 2kbz s ILE 121 Cb 0.12 -3.54 -0.08 0.00 -0.00 0.00 0.00 42.46 38.95 2kbz s ILE 121 CO 0.78 -0.37 1.30 -2.16 -0.00 0.00 0.00 174.94 174.48 2kbz s PRO 122 N -4.51 4.40 0.14 0.37 0.04 -1.26 -4.96 135.00 129.22 2kbz s PRO 122 Ca 0.47 2.02 0.18 0.00 0.04 0.00 0.00 61.00 63.71 2kbz s PRO 122 Cb -0.10 -3.21 0.79 0.00 0.04 0.00 0.00 34.50 32.02 2kbz s PRO 122 CO 0.37 -0.25 1.57 0.45 0.04 0.00 0.00 177.00 179.19 2kbz n SER 123 N 2.76 0.35 0.00 6.66 2.88 -1.26 -2.08 113.62 122.93 2kbz n SER 123 Ca 0.06 0.60 -0.21 0.00 -1.33 0.00 0.00 58.87 57.99 2kbz n SER 123 Cb 0.43 -0.67 -0.14 0.00 -0.75 0.00 0.00 64.21 63.09 2kbz n SER 123 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kbz h THR 124 N 0.00 1.09 0.00 2.46 1.03 -2.04 -3.36 112.91 112.09 2kbz h THR 124 Ca 0.00 -2.40 -0.08 0.00 -0.01 0.00 0.00 66.41 63.92 2kbz h THR 124 Cb 0.27 2.75 -0.01 0.00 -1.07 0.00 0.00 68.15 70.10 2kbz h THR 124 CO 0.00 0.68 -0.38 0.40 -0.01 0.00 0.00 175.52 176.21 2kbz h ILE 125 N -0.37 0.94 -0.42 0.00 2.04 -1.95 -3.29 117.51 114.46 2kbz h ILE 125 Ca -0.28 -1.49 0.12 0.00 1.00 0.00 0.00 64.86 64.21 2kbz h ILE 125 Cb 1.70 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 39.66 2kbz h ILE 125 CO 0.05 0.37 0.55 0.25 0.00 0.00 0.00 178.15 179.38 2kbz h LEU 126 N 0.00 0.00 0.00 1.44 5.85 -1.57 0.35 115.31 121.38 2kbz h LEU 126 Ca -0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2kbz h LEU 126 Cb 0.86 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 2kbz h LEU 126 CO 0.05 0.00 -0.20 0.11 -0.34 0.00 0.00 178.44 178.06 2kbz h LYS 127 N 0.00 0.00 0.00 1.25 1.79 -1.76 -3.25 116.57 114.60 2kbz h LYS 127 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 2kbz h LYS 127 Cb 1.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 2kbz h LYS 127 CO -0.00 0.19 0.00 1.63 -1.08 0.00 0.00 179.45 180.19 2kbz n LYS 128 N -3.15 0.25 0.30 3.15 5.02 0.12 -2.92 118.16 120.94 2kbz n LYS 128 Ca 0.03 0.23 0.17 0.00 -2.02 0.00 0.00 58.31 56.72 2kbz n LYS 128 Cb 0.61 -1.81 0.97 0.00 -0.02 0.00 0.00 35.03 34.78 2kbz n LYS 128 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2kbz h LEU 129 N 0.00 0.00 0.00 -0.35 6.46 -1.51 -3.34 115.31 116.57 2kbz h LEU 129 Ca 0.00 0.00 -0.31 0.00 -0.12 0.00 0.00 57.88 57.45 2kbz h LEU 129 Cb 0.69 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.57 2kbz h LEU 129 CO 0.00 0.01 -2.02 0.59 -0.62 0.00 0.00 178.44 176.40 2kbz n ASN 130 N -3.66 0.43 0.00 1.25 3.02 -1.15 -4.84 115.26 110.32 2kbz n ASN 130 Ca -0.03 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 2kbz n ASN 130 Cb 0.09 0.51 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 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 -2.88 0.00 0.00 3.52 -0.02 -1.26 -4.71 135.00 129.66 2kbz n PRO 131 Ca -0.24 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 2kbz n PRO 131 Cb 1.08 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 33.05 2kbz n PRO 131 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 2kbz n TYR 132 N -1.35 0.00 -0.11 6.00 0.18 -1.26 -4.93 117.16 115.69 2kbz n TYR 132 Ca 0.00 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.58 2kbz n TYR 132 Cb 0.01 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 38.85 2kbz n TYR 132 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65 2kbz n ARG 133 N 0.00 0.66 -0.33 -3.48 0.00 -1.26 -4.74 116.66 107.52 2kbz n ARG 133 Ca 0.00 0.19 0.27 0.00 -0.00 0.00 0.00 57.85 58.31 2kbz n ARG 133 Cb 0.00 -1.55 0.51 0.00 0.00 0.00 0.00 32.46 31.42 2kbz n ARG 133 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2kbz h LYS 134 N -0.10 0.05 0.00 -0.14 3.11 -1.89 0.66 116.57 118.26 2kbz h LYS 134 Ca -0.56 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.28 2kbz h LYS 134 Cb 1.89 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 33.10 2kbz h LYS 134 CO -0.09 0.03 0.00 0.00 -2.81 0.00 0.00 179.45 176.58 2kbz h MET 135 N 0.05 0.00 -0.42 1.90 -0.00 -1.85 -3.31 114.93 111.31 2kbz h MET 135 Ca 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.48 2kbz h MET 135 Cb 1.95 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.55 2kbz h MET 135 CO -0.77 0.00 0.00 0.00 -0.00 0.00 0.00 176.91 176.14 2kbz n ALA 136 N -1.85 2.41 -0.90 -3.00 0.00 0.23 -5.19 120.51 112.21 2kbz n ALA 136 Ca 0.03 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.44 2kbz n ALA 136 Cb 0.32 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2kbz n ALA 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04