#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 0.00 -0.24 -1.09 1.74 -1.26 -4.89 116.66 110.92 2kbz n ARG 40 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 2kbz n ARG 40 Cb 0.00 -0.63 0.11 0.00 -1.02 0.00 0.00 32.46 30.92 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 1.25 0.00 1.55 2.07 -2.07 -2.68 116.25 116.36 2kbz h VAL 41 Ca 0.00 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 2kbz h VAL 41 Cb 0.00 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2kbz h VAL 41 CO 0.00 0.32 -0.13 0.11 0.02 0.00 0.00 177.57 177.89 2kbz h LYS 42 N 1.06 0.00 0.00 1.57 1.57 -2.00 -3.15 116.57 115.62 2kbz h LYS 42 Ca 0.24 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 2kbz h LYS 42 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 2kbz h LYS 42 CO -0.02 0.13 -0.05 -0.09 -0.57 0.00 0.00 179.45 178.85 2kbz h ARG 43 N 0.00 0.00 0.09 3.15 2.43 -1.89 0.48 114.38 118.64 2kbz h ARG 43 Ca -0.00 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.90 2kbz h ARG 43 Cb 0.27 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.85 2kbz h ARG 43 CO 0.02 0.05 -1.11 -0.07 -1.51 0.00 0.00 179.97 177.35 2kbz h LEU 44 N 0.00 0.81 0.00 3.80 3.38 -1.71 -3.39 115.31 118.20 2kbz h LEU 44 Ca -0.00 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.15 2kbz h LEU 44 Cb 0.15 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2kbz h LEU 44 CO 0.01 1.54 -1.80 0.00 0.09 0.00 0.00 178.44 178.28 2kbz n LEU 45 N -3.88 0.18 0.01 1.67 -0.00 -1.09 -4.42 117.00 109.47 2kbz n LEU 45 Ca -0.13 -0.03 0.09 0.00 -0.00 0.00 0.00 56.01 55.93 2kbz n LEU 45 Cb 0.92 -0.01 0.38 0.00 -0.00 0.00 0.00 43.42 44.71 2kbz n LEU 45 CO 0.56 0.01 0.78 -1.20 -0.00 0.00 0.00 177.39 177.54 2kbz n SER 46 N -2.20 0.06 0.00 1.45 7.64 0.17 -0.95 113.62 119.79 2kbz n SER 46 Ca -0.03 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.37 2kbz n SER 46 Cb 0.54 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 2kbz n SER 46 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2kbz n ILE 47 N -1.57 0.00 -1.14 0.44 -5.35 -1.26 -4.53 119.36 105.96 2kbz n ILE 47 Ca 0.04 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.21 2kbz n ILE 47 Cb 0.21 0.00 -0.05 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 0.00 3.72 0.00 7.28 -2.24 -1.26 -0.48 114.28 121.29 2kbz n THR 48 Ca 0.00 -2.16 0.00 0.00 -2.27 0.00 0.00 64.05 59.62 2kbz n THR 48 Cb 0.00 -2.41 0.00 0.00 -2.10 0.00 0.00 70.33 65.82 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 3.49 0.00 -0.31 3.42 3.02 -1.26 -4.21 115.26 119.41 2kbz n ASN 49 Ca 0.66 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 55.27 2kbz n ASN 49 Cb 0.33 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 39.76 2kbz n ASN 49 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2kbz h ASP 50 N 0.00 0.88 0.04 6.41 3.58 -0.99 -0.64 116.42 125.70 2kbz h ASP 50 Ca 0.00 0.02 -0.24 0.00 0.42 0.00 0.00 57.03 57.23 2kbz h ASP 50 Cb 0.00 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.86 2kbz h ASP 50 CO 0.00 0.53 -1.31 0.11 -2.88 0.00 0.00 179.24 175.69 2kbz h LYS 51 N 0.97 0.08 -0.41 0.28 1.57 -1.01 -3.45 116.57 114.60 2kbz h LYS 51 Ca 0.42 -0.14 -0.28 0.00 -1.87 0.00 0.00 60.65 58.78 2kbz h LYS 51 Cb 0.34 0.05 -0.39 0.00 0.08 0.00 0.00 32.23 32.32 2kbz h LYS 51 CO -0.18 1.07 -1.02 0.72 -0.57 0.00 0.00 179.45 179.46 2kbz n HIS 52 N -4.21 1.31 -0.26 -1.35 8.25 -1.19 -4.89 115.22 112.88 2kbz n HIS 52 Ca -0.29 -1.89 0.14 0.00 -0.26 0.00 0.00 57.72 55.42 2kbz n HIS 52 Cb 0.76 -0.24 0.41 0.00 1.12 0.00 0.00 29.99 32.05 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 2.22 0.59 0.18 0.41 3.58 -1.28 -0.38 116.42 121.74 2kbz h ASP 53 Ca -0.05 0.04 -0.17 0.00 0.42 0.00 0.00 57.03 57.27 2kbz h ASP 53 Cb 1.40 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.37 2kbz h ASP 53 CO 0.27 0.28 -0.65 -0.08 -2.88 0.00 0.00 179.24 176.18 2kbz h GLU 54 N 0.61 0.44 0.01 0.28 4.57 -1.90 -3.25 114.58 115.34 2kbz h GLU 54 Ca 0.45 -0.32 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 2kbz h GLU 54 Cb 0.83 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 2kbz h GLU 54 CO -0.20 0.94 -0.10 -0.92 -1.18 0.00 0.00 179.01 177.55 2kbz h TYR 55 N 0.32 0.09 0.07 0.92 5.03 -1.46 -3.30 116.97 118.65 2kbz h TYR 55 Ca -0.01 -0.05 -0.00 0.00 2.58 0.00 0.00 58.73 61.24 2kbz h TYR 55 Cb 1.21 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.48 2kbz h TYR 55 CO 0.04 0.91 -0.03 1.37 -1.32 0.00 0.00 178.16 179.13 2kbz h LEU 56 N -0.76 -0.08 -1.75 2.82 -0.00 -1.52 -3.31 115.31 110.71 2kbz h LEU 56 Ca -0.01 -0.41 0.27 0.00 -0.00 0.00 0.00 57.88 57.73 2kbz h LEU 56 Cb 0.95 0.02 -0.06 0.00 -0.00 0.00 0.00 40.66 41.57 2kbz h LEU 56 CO 0.02 0.38 0.70 0.74 -0.00 0.00 0.00 178.44 180.28 2kbz h THR 57 N -0.57 0.53 -0.14 0.15 2.02 -1.78 -2.68 112.91 110.45 2kbz h THR 57 Ca -0.01 -0.06 -0.17 0.00 0.77 0.00 0.00 66.41 66.95 2kbz h THR 57 Cb 0.48 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2kbz h THR 57 CO 0.02 0.03 -0.61 -0.33 0.37 0.00 0.00 175.52 175.00 2kbz h GLU 58 N 0.17 0.47 -0.76 6.66 4.39 -1.64 -3.32 114.58 120.55 2kbz h GLU 58 Ca 0.51 -0.32 0.16 0.00 0.34 0.00 0.00 59.36 60.05 2kbz h GLU 58 Cb 1.71 0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 30.30 2kbz h GLU 58 CO -0.11 0.94 0.21 0.52 -1.16 0.00 0.00 179.01 179.41 2kbz h MET 59 N 0.35 0.29 -0.01 2.33 2.86 -1.58 -2.90 114.93 116.27 2kbz h MET 59 Ca -0.01 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2kbz h MET 59 Cb 1.16 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.75 2kbz h MET 59 CO 0.11 0.19 -0.01 0.28 1.06 0.00 0.00 176.91 178.54 2kbz h VAL 60 N 0.30 1.46 0.00 -2.22 2.07 -1.66 -2.85 116.25 113.35 2kbz h VAL 60 Ca 0.43 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.58 2kbz h VAL 60 Cb 0.74 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 2kbz h VAL 60 CO -0.50 0.36 0.21 -0.65 0.02 0.00 0.00 177.57 177.00 2kbz h PRO 61 N -0.55 0.00 -0.69 1.57 0.11 -1.65 0.31 132.00 131.09 2kbz h PRO 61 Ca 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 2kbz h PRO 61 Cb 0.59 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.67 2kbz h PRO 61 CO 0.00 0.00 0.25 -0.07 -0.21 0.00 0.00 178.00 177.97 2kbz h LEU 62 N 0.00 0.97 0.14 2.35 4.07 -1.39 -0.29 115.31 121.15 2kbz h LEU 62 Ca 0.00 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 57.77 2kbz h LEU 62 Cb 0.42 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.91 2kbz h LEU 62 CO 0.00 0.89 -0.07 0.25 -1.08 0.00 0.00 178.44 178.43 2kbz h LEU 63 N 0.99 -0.16 -0.45 1.67 5.85 -0.50 -2.61 115.31 120.10 2kbz h LEU 63 Ca 0.23 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 2kbz h LEU 63 Cb 0.24 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2kbz h LEU 63 CO -0.01 0.35 0.17 0.58 -0.34 0.00 0.00 178.44 179.19 2kbz h VAL 64 N -0.74 1.21 0.16 1.05 2.07 -0.66 -0.93 116.25 118.41 2kbz h VAL 64 Ca -0.02 -0.65 -0.28 0.00 0.82 0.00 0.00 66.70 66.57 2kbz h VAL 64 Cb 0.53 0.79 0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2kbz h VAL 64 CO 0.03 0.24 -1.21 -0.33 0.02 0.00 0.00 177.57 176.33 2kbz h GLU 65 N 0.59 0.54 -0.05 1.57 5.08 -1.23 -2.48 114.58 118.60 2kbz h GLU 65 Ca 0.15 -0.79 -0.01 0.00 -1.00 0.00 0.00 59.36 57.71 2kbz h GLU 65 Cb 0.20 0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2kbz h GLU 65 CO -0.01 1.36 -0.01 0.27 -1.00 0.00 0.00 179.01 179.62 2kbz h PHE 66 N 0.11 0.11 -0.19 4.33 -0.00 -1.53 -1.96 116.94 117.81 2kbz h PHE 66 Ca -0.20 -0.02 -0.15 0.00 -0.00 0.00 0.00 57.97 57.60 2kbz h PHE 66 Cb 1.91 -0.03 -0.01 0.00 -0.00 0.00 0.00 35.95 37.82 2kbz h PHE 66 CO 0.14 0.44 -0.50 0.00 -0.00 0.00 0.00 178.31 178.39 2kbz h ALA 67 N 0.65 0.79 0.00 12.09 0.00 -1.33 -3.09 119.26 128.36 2kbz h ALA 67 Ca 0.01 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 2kbz h ALA 67 Cb 0.41 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2kbz h ALA 67 CO 0.01 0.67 -0.08 -0.22 0.00 0.00 0.00 179.25 179.63 2kbz h LYS 68 N 0.40 0.00 -0.19 0.00 3.64 -1.55 -3.33 116.57 115.55 2kbz h LYS 68 Ca 0.02 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 2kbz h LYS 68 Cb 1.01 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 2kbz h LYS 68 CO 0.09 0.08 0.40 0.22 -2.27 0.00 0.00 179.45 177.96 2kbz h ASP 69 N 0.00 0.00 -0.50 4.20 3.58 -1.26 0.93 116.42 123.37 2kbz h ASP 69 Ca -0.00 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.50 2kbz h ASP 69 Cb 0.85 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.85 2kbz h ASP 69 CO 0.01 0.00 0.23 -0.08 -2.88 0.00 0.00 179.24 176.52 2kbz h GLU 70 N 0.00 0.44 0.00 0.28 4.57 -1.74 -3.24 114.58 114.88 2kbz h GLU 70 Ca 0.09 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 58.10 2kbz h GLU 70 Cb 0.88 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.35 2kbz h GLU 70 CO -0.00 0.29 -1.02 0.00 -1.18 0.00 0.00 179.01 177.09 2kbz n HIS 72 N -3.05 0.00 -1.74 0.00 8.25 -1.15 -4.98 115.22 112.55 2kbz n HIS 72 Ca -0.04 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.11 2kbz n HIS 72 Cb 0.80 -0.88 0.04 0.00 1.12 0.00 0.00 29.99 31.07 2kbz n HIS 72 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2kbz s ASN 73 N -2.38 5.69 -1.51 0.41 6.03 -1.26 -4.94 114.94 116.97 2kbz s ASN 73 Ca 0.00 1.43 -0.11 0.00 -1.03 0.00 0.00 52.86 53.16 2kbz s ASN 73 Cb 0.00 -2.36 -0.00 0.00 -3.03 0.00 0.00 41.25 35.85 2kbz s ASN 73 CO 0.00 -1.22 2.57 -0.81 -2.03 0.00 0.00 177.10 175.60 2kbz n PRO 74 N -2.97 3.50 -0.10 3.55 -0.04 -1.26 -4.53 135.00 133.14 2kbz n PRO 74 Ca 0.07 -2.58 0.02 0.00 -0.04 0.00 0.00 63.50 60.97 2kbz n PRO 74 Cb 0.54 -2.96 0.06 0.00 -0.04 0.00 0.00 33.50 31.10 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 4.27 0.25 -4.34 0.54 1.16 -1.26 -4.80 117.46 113.28 2kbz n PHE 75 Ca 0.65 -0.10 -0.28 0.00 -1.87 0.00 0.00 57.45 55.84 2kbz n PHE 75 Cb 0.30 -0.08 -0.11 0.00 -1.61 0.00 0.00 39.48 37.97 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 -1.57 2.72 0.35 1.97 1.01 -1.26 -0.27 121.20 124.15 2kbz s ILE 76 Ca 0.08 -1.66 0.09 0.00 0.00 0.00 0.00 60.65 59.16 2kbz s ILE 76 Cb 0.05 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.21 2kbz s ILE 76 CO 0.04 0.03 0.05 -0.62 0.00 0.00 0.00 174.94 174.44 2kbz s ASP 77 N -2.33 4.30 0.29 3.58 2.15 0.11 -4.62 116.67 120.14 2kbz s ASP 77 Ca 0.19 -0.96 0.10 0.00 0.43 0.00 0.00 52.55 52.31 2kbz s ASP 77 Cb -0.10 -0.57 0.57 0.00 -0.30 0.00 0.00 42.92 42.52 2kbz s ASP 77 CO 0.10 -0.28 1.19 1.17 -0.17 0.00 0.00 175.17 177.18 2kbz n LYS 78 N -1.02 0.07 -0.00 4.34 4.81 -1.26 -0.40 118.16 124.71 2kbz n LYS 78 Ca -0.04 0.53 0.10 0.00 -0.87 0.00 0.00 58.31 58.03 2kbz n LYS 78 Cb 0.62 -2.07 -0.11 0.00 0.02 0.00 0.00 35.03 33.50 2kbz n LYS 78 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2kbz n ASP 79 N -1.93 0.83 0.00 3.14 2.03 -1.26 -4.95 116.55 114.40 2kbz n ASP 79 Ca -0.01 -0.81 0.00 0.00 0.52 0.00 0.00 54.79 54.49 2kbz n ASP 79 Cb 0.35 1.10 0.00 0.00 -0.72 0.00 0.00 41.12 41.85 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 1.46 0.95 4.02 0.27 0.00 0.47 -5.10 105.19 107.26 2kbz n GLY 80 Ca 0.03 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 2kbz n GLY 80 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kbz s ASN 81 N -2.55 4.67 0.36 1.61 3.84 -1.23 -4.81 114.94 116.83 2kbz s ASN 81 Ca 0.00 -0.70 -0.26 0.00 0.21 0.00 0.00 52.86 52.11 2kbz s ASN 81 Cb 0.00 0.29 -0.09 0.00 -0.55 0.00 0.00 41.25 40.90 2kbz s ASN 81 CO 0.00 -1.65 1.09 -1.83 -2.79 0.00 0.00 177.10 171.91 2kbz s GLU 82 N -4.91 4.30 -0.02 0.43 -1.05 -1.26 0.05 118.70 116.23 2kbz s GLU 82 Ca 0.65 1.67 -0.02 0.00 -0.15 0.00 0.00 54.97 57.11 2kbz s GLU 82 Cb -0.05 -2.78 0.00 0.00 -0.44 0.00 0.00 34.13 30.87 2kbz s GLU 82 CO 0.42 -0.06 0.05 0.45 0.95 0.00 0.00 175.26 177.08 2kbz s SER 83 N -1.26 -0.03 -0.03 0.83 0.15 0.63 -4.51 113.70 109.48 2kbz s SER 83 Ca 0.53 0.04 -0.01 0.00 0.70 0.00 0.00 55.95 57.21 2kbz s SER 83 Cb -0.27 0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.18 2kbz s SER 83 CO 0.34 -0.07 0.06 -0.63 1.20 0.00 0.00 173.24 174.15 2kbz s ILE 84 N -0.19 -0.03 0.60 6.45 1.09 -1.26 -4.35 121.20 123.52 2kbz s ILE 84 Ca -0.02 0.11 -0.07 0.00 -1.10 0.00 0.00 60.65 59.56 2kbz s ILE 84 Cb -0.02 -0.11 0.13 0.00 -1.06 0.00 0.00 42.46 41.41 2kbz s ILE 84 CO 0.00 0.04 0.82 -0.81 -0.10 0.00 0.00 174.94 174.90 2kbz n PRO 85 N 3.66 -0.54 -0.16 2.79 -0.04 -1.26 -4.87 135.00 134.59 2kbz n PRO 85 Ca -0.20 -1.54 -0.06 0.00 -0.04 0.00 0.00 63.50 61.65 2kbz n PRO 85 Cb 0.55 -0.76 0.03 0.00 -0.04 0.00 0.00 33.50 33.27 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 -0.92 0.52 0.00 3.54 0.02 -2.03 -1.44 113.55 113.25 2kbz h SER 86 Ca -0.27 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.56 2kbz h SER 86 Cb 0.81 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 63.24 2kbz h SER 86 CO 0.22 0.37 -0.45 1.23 -1.14 0.00 0.00 176.83 177.05 2kbz h GLY 87 N 0.62 0.34 2.00 -3.77 0.00 -1.96 -2.85 103.07 97.45 2kbz h GLY 87 Ca 0.19 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 2kbz h GLY 87 CO -0.07 0.53 -0.08 -2.08 0.00 0.00 0.00 176.54 174.84 2kbz h VAL 88 N -0.29 0.37 -0.17 4.60 2.07 -1.76 -2.44 116.25 118.63 2kbz h VAL 88 Ca -0.06 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 2kbz h VAL 88 Cb 1.19 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 2kbz h VAL 88 CO 0.09 0.08 -0.05 0.25 0.02 0.00 0.00 177.57 177.96 2kbz h LEU 89 N 0.00 0.34 -1.72 2.57 6.46 -1.25 -0.02 115.31 121.69 2kbz h LEU 89 Ca -0.00 -0.37 -0.00 0.00 -0.12 0.00 0.00 57.88 57.39 2kbz h LEU 89 Cb 0.32 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 2kbz h LEU 89 CO 0.01 0.64 0.16 0.16 -0.62 0.00 0.00 178.44 178.79 2kbz h ILE 90 N 0.05 1.08 0.67 4.05 3.07 -1.20 -2.10 117.51 123.13 2kbz h ILE 90 Ca 0.04 -0.16 -0.03 0.00 1.55 0.00 0.00 64.86 66.26 2kbz h ILE 90 Cb 0.49 0.70 0.01 0.00 -0.27 0.00 0.00 36.82 37.74 2kbz h ILE 90 CO 0.02 0.08 -0.32 0.15 -1.05 0.00 0.00 178.15 177.02 2kbz h PHE 91 N 0.36 -0.84 -0.22 0.16 3.57 -1.42 -0.21 116.94 118.34 2kbz h PHE 91 Ca 0.10 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.63 2kbz h PHE 91 Cb -0.02 0.28 -0.07 0.00 2.79 0.00 0.00 35.95 38.93 2kbz h PHE 91 CO 0.00 -0.48 -0.23 -0.39 -2.23 0.00 0.00 178.31 174.98 2kbz h VAL 92 N -1.09 0.42 0.11 1.41 -1.51 -0.44 0.31 116.25 115.47 2kbz h VAL 92 Ca -0.09 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.37 2kbz h VAL 92 Cb 0.73 0.42 0.00 0.00 -2.13 0.00 0.00 31.29 30.31 2kbz h VAL 92 CO 0.15 0.00 -0.05 0.00 -1.23 0.00 0.00 177.57 176.44 2kbz h ALA 93 N 0.80 -0.14 -0.00 5.19 0.00 -1.53 -2.90 119.26 120.67 2kbz h ALA 93 Ca 0.13 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 2kbz h ALA 93 Cb 0.44 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2kbz h ALA 93 CO -0.36 -0.53 -0.77 1.57 0.00 0.00 0.00 179.25 179.16 2kbz h LYS 94 N -0.25 0.02 0.18 0.00 2.10 -0.85 -0.91 116.57 116.87 2kbz h LYS 94 Ca -0.01 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.61 2kbz h LYS 94 Cb 0.21 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 2kbz h LYS 94 CO 0.02 0.78 -0.09 0.00 -2.00 0.00 0.00 179.45 178.17 2kbz h ALA 95 N 1.21 -0.25 0.00 0.07 0.00 -1.07 -2.29 119.26 116.93 2kbz h ALA 95 Ca -0.01 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 2kbz h ALA 95 Cb 1.37 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 2kbz h ALA 95 CO 0.10 -0.52 -0.79 0.00 0.00 0.00 0.00 179.25 178.04 2kbz h ALA 96 N 0.29 0.56 0.00 0.00 0.00 -1.59 -0.20 119.26 118.31 2kbz h ALA 96 Ca -0.03 -0.72 -0.07 0.00 0.00 0.00 0.00 54.91 54.10 2kbz h ALA 96 Cb 0.37 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2kbz h ALA 96 CO 0.04 0.98 -0.34 -0.56 0.00 0.00 0.00 179.25 179.38 2kbz h GLN 97 N 0.00 0.00 0.17 0.00 3.07 -1.23 0.41 115.11 117.53 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 1.52 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.08 2kbz h GLN 97 CO 0.10 0.34 -0.08 0.35 0.09 0.00 0.00 178.83 179.63 2kbz h PHE 98 N 0.00 -0.21 -0.12 0.06 3.04 -1.42 -3.33 116.94 114.97 2kbz h PHE 98 Ca -0.00 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 2kbz h PHE 98 Cb 0.93 0.07 -0.00 0.00 2.56 0.00 0.00 35.95 39.51 2kbz h PHE 98 CO 0.00 0.22 -0.08 -0.92 -2.02 0.00 0.00 178.31 175.51 2kbz h TYR 99 N -0.88 0.31 -0.20 0.41 3.20 -0.98 -2.96 116.97 115.88 2kbz h TYR 99 Ca -0.02 -0.08 -0.12 0.00 3.14 0.00 0.00 58.73 61.65 2kbz h TYR 99 Cb 0.52 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 2kbz h TYR 99 CO 0.08 0.63 -0.34 1.98 -1.64 0.00 0.00 178.16 178.87 2kbz h MET 100 N -0.10 0.57 0.00 1.82 4.05 -1.13 0.32 114.93 120.46 2kbz h MET 100 Ca 0.02 -0.36 -0.02 0.00 -0.28 0.00 0.00 59.70 59.07 2kbz h MET 100 Cb 0.56 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.39 2kbz h MET 100 CO 0.02 0.97 -0.10 1.15 0.23 0.00 0.00 176.91 179.18 2kbz h THR 101 N 0.24 0.33 0.00 -0.77 2.02 -1.73 -1.53 112.91 111.48 2kbz h THR 101 Ca 0.01 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.56 2kbz h THR 101 Cb 0.93 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 2kbz h THR 101 CO 0.08 0.10 -0.50 -3.20 0.37 0.00 0.00 175.52 172.36 2kbz n ASN 102 N -3.34 1.25 -1.18 4.18 4.05 -1.12 -4.84 115.26 114.26 2kbz n ASN 102 Ca -0.01 0.36 0.09 0.00 0.45 0.00 0.00 54.58 55.48 2kbz n ASN 102 Cb 0.29 -0.70 0.28 0.00 1.23 0.00 0.00 39.78 40.88 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 -3.49 2.58 0.45 5.20 0.00 0.11 -0.90 120.51 124.45 2kbz n ALA 103 Ca -0.07 -1.43 0.13 0.00 0.00 0.00 0.00 53.44 52.07 2kbz n ALA 103 Cb 0.26 -0.79 0.30 0.00 0.00 0.00 0.00 19.45 19.22 2kbz n ALA 103 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kbz h GLY 104 N 3.38 0.00 0.00 0.00 0.00 -1.36 -3.26 103.07 101.83 2kbz h GLY 104 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2kbz h GLY 104 CO 0.09 0.00 -0.53 1.47 0.00 0.00 0.00 176.54 177.56 2kbz n LEU 105 N -2.63 0.85 -0.94 3.11 -0.00 -1.25 -3.93 117.00 112.22 2kbz n LEU 105 Ca 0.05 0.12 0.06 0.00 -0.00 0.00 0.00 56.01 56.24 2kbz n LEU 105 Cb 0.47 -0.28 0.21 0.00 -0.00 0.00 0.00 43.42 43.82 2kbz n LEU 105 CO 0.32 -0.40 0.65 0.35 -0.00 0.00 0.00 177.39 178.31 2kbz n THR 106 N -3.45 0.84 0.26 1.47 -2.24 -0.08 -4.40 114.28 106.69 2kbz n THR 106 Ca -0.04 -0.65 -0.10 0.00 -2.27 0.00 0.00 64.05 60.99 2kbz n THR 106 Cb 0.25 0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.57 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 4.89 -0.70 0.00 3.38 0.00 -1.68 -3.46 103.07 105.50 2kbz h GLY 107 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2kbz h GLY 107 CO 0.07 -0.26 0.00 -2.13 0.00 0.00 0.00 176.54 174.22 2kbz n ARG 108 N -4.02 0.00 -1.00 4.80 0.63 -1.26 -4.92 116.66 110.89 2kbz n ARG 108 Ca -0.08 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.74 2kbz n ARG 108 Cb 0.27 -0.94 0.18 0.00 0.45 0.00 0.00 32.46 32.42 2kbz n ARG 108 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2kbz n SER 109 N 0.00 3.13 0.00 6.15 7.64 -1.26 -5.07 113.62 124.22 2kbz n SER 109 Ca 0.00 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.11 2kbz n SER 109 Cb 0.00 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 2kbz n SER 109 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2kbz n MET 110 N -1.09 0.00 -0.36 1.43 1.56 -1.26 -4.88 117.12 112.52 2kbz n MET 110 Ca 0.40 0.00 0.03 0.00 -0.27 0.00 0.00 57.70 57.86 2kbz n MET 110 Cb 1.11 0.00 0.16 0.00 2.15 0.00 0.00 33.22 36.64 2kbz n MET 110 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 2kbz n ASP 111 N -1.27 2.88 0.00 6.12 5.68 -1.25 -4.70 116.55 124.02 2kbz n ASP 111 Ca 0.00 -2.37 0.00 0.00 -0.50 0.00 0.00 54.79 51.92 2kbz n ASP 111 Cb 0.00 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.41 2kbz n ASP 111 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 2kbz n THR 112 N 0.24 0.00 -3.64 2.12 -1.04 -1.26 -5.05 114.28 105.66 2kbz n THR 112 Ca 0.11 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.05 2kbz n THR 112 Cb 0.63 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.15 2kbz n THR 112 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2kbz n VAL 113 N 0.00 0.00 -0.99 12.58 3.14 -1.26 -5.04 118.33 126.76 2kbz n VAL 113 Ca 0.00 -0.82 -0.30 0.00 -2.96 0.00 0.00 64.34 60.26 2kbz n VAL 113 Cb 0.00 0.69 -0.02 0.00 -1.06 0.00 0.00 33.84 33.45 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 -1.48 5.80 -0.56 6.55 7.64 -1.26 -4.89 113.62 125.43 2kbz n SER 114 Ca -0.04 -2.45 -0.06 0.00 1.01 0.00 0.00 58.87 57.33 2kbz n SER 114 Cb 0.40 -1.26 -0.01 0.00 -1.01 0.00 0.00 64.21 62.33 2kbz n SER 114 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2kbz n TYR 115 N 4.38 -0.02 1.14 1.43 4.01 -1.26 -4.98 117.16 121.86 2kbz n TYR 115 Ca 0.55 0.13 0.12 0.00 -0.16 0.00 0.00 57.90 58.54 2kbz n TYR 115 Cb 0.19 -0.25 0.61 0.00 -0.31 0.00 0.00 39.34 39.58 2kbz n TYR 115 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2kbz n ASN 116 N 0.23 0.00 -0.19 7.72 2.04 -1.26 -4.49 115.26 119.31 2kbz n ASN 116 Ca 0.02 -0.08 0.30 0.00 -0.44 0.00 0.00 54.58 54.39 2kbz n ASN 116 Cb 0.03 -0.28 0.72 0.00 -2.53 0.00 0.00 39.78 37.72 2kbz n ASN 116 CO 0.00 0.00 0.00 -0.26 -0.44 0.00 0.00 177.26 176.56 2kbz h PHE 117 N 0.00 0.00 0.00 -2.53 0.04 -1.93 0.10 116.94 112.62 2kbz h PHE 117 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2kbz h PHE 117 Cb 0.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.37 2kbz h PHE 117 CO 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.71 2kbz h ALA 118 N 1.38 1.00 0.00 2.45 0.00 -1.93 -3.29 119.26 118.87 2kbz h ALA 118 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2kbz h ALA 118 Cb 1.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.75 2kbz h ALA 118 CO -0.00 0.00 0.00 -2.37 0.00 0.00 0.00 179.25 176.88 2kbz n THR 119 N -2.93 0.14 -4.04 0.00 5.66 0.18 -5.12 114.28 108.17 2kbz n THR 119 Ca 0.02 -0.17 -0.04 0.00 -3.05 0.00 0.00 64.05 60.81 2kbz n THR 119 Cb 0.33 1.15 -0.01 0.00 -1.55 0.00 0.00 70.33 70.25 2kbz n THR 119 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2kbz n GLU 120 N -0.07 0.08 -0.32 1.09 -0.58 -0.16 -5.09 120.64 115.59 2kbz n GLU 120 Ca 0.00 -0.64 0.00 0.00 -0.42 0.00 0.00 57.16 56.10 2kbz n GLU 120 Cb 0.38 0.53 0.00 0.00 -0.57 0.00 0.00 31.44 31.78 2kbz n GLU 120 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2kbz n ILE 121 N -0.12 -1.50 -1.68 -3.67 5.41 -1.26 -4.71 119.36 111.83 2kbz n ILE 121 Ca 0.01 0.00 -0.46 0.00 1.00 0.00 0.00 62.75 63.31 2kbz n ILE 121 Cb 0.12 -1.50 -0.04 0.00 -0.71 0.00 0.00 39.64 37.51 2kbz n ILE 121 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2kbz n PRO 122 N 0.33 2.34 -0.17 0.38 -0.04 -1.26 -4.75 135.00 131.83 2kbz n PRO 122 Ca 0.00 0.85 0.15 0.00 -0.04 0.00 0.00 63.50 64.46 2kbz n PRO 122 Cb 0.00 -2.68 0.28 0.00 -0.04 0.00 0.00 33.50 31.06 2kbz n PRO 122 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2kbz n SER 123 N 5.11 0.14 -0.05 3.54 7.64 -1.26 -1.43 113.62 127.32 2kbz n SER 123 Ca 0.19 0.85 -0.14 0.00 1.01 0.00 0.00 58.87 60.78 2kbz n SER 123 Cb 0.31 -0.40 -0.07 0.00 -1.01 0.00 0.00 64.21 63.04 2kbz n SER 123 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2kbz h THR 124 N 0.00 1.36 0.00 0.44 2.02 -2.04 -3.31 112.91 111.39 2kbz h THR 124 Ca 0.42 -1.51 -0.08 0.00 0.77 0.00 0.00 66.41 66.00 2kbz h THR 124 Cb 1.08 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 69.45 2kbz h THR 124 CO -0.41 0.45 -0.38 0.16 0.37 0.00 0.00 175.52 175.71 2kbz h ILE 125 N 0.06 1.02 -0.64 3.11 -2.65 -1.60 -3.18 117.51 113.64 2kbz h ILE 125 Ca 0.01 -1.43 0.18 0.00 1.03 0.00 0.00 64.86 64.65 2kbz h ILE 125 Cb 0.85 1.83 -0.03 0.00 -2.05 0.00 0.00 36.82 37.43 2kbz h ILE 125 CO 0.06 0.37 0.60 0.25 0.03 0.00 0.00 178.15 179.46 2kbz h LEU 126 N 0.00 0.00 -0.16 0.16 5.85 -1.63 0.44 115.31 119.98 2kbz h LEU 126 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kbz h LEU 126 Cb 0.80 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2kbz h LEU 126 CO 0.05 0.00 0.00 0.11 -0.34 0.00 0.00 178.44 178.26 2kbz h LYS 127 N 0.00 0.00 0.00 1.25 1.79 -1.73 -3.14 116.57 114.74 2kbz h LYS 127 Ca 0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 2kbz h LYS 127 Cb 1.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.15 2kbz h LYS 127 CO -0.00 0.00 -0.14 1.17 -1.08 0.00 0.00 179.45 179.40 2kbz n LYS 128 N -3.08 0.17 -0.36 3.15 3.00 0.15 -3.65 118.16 117.53 2kbz n LYS 128 Ca 0.04 0.12 0.05 0.00 -0.00 0.00 0.00 58.31 58.51 2kbz n LYS 128 Cb 0.50 -1.68 0.21 0.00 0.00 0.00 0.00 35.03 34.07 2kbz n LYS 128 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2kbz h LEU 129 N 0.00 0.97 0.00 3.14 6.46 -1.43 -3.38 115.31 121.07 2kbz h LEU 129 Ca 0.00 0.03 -0.14 0.00 -0.12 0.00 0.00 57.88 57.65 2kbz h LEU 129 Cb 0.65 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.39 2kbz h LEU 129 CO 0.00 0.57 -1.40 0.59 -0.62 0.00 0.00 178.44 177.57 2kbz n ASN 130 N -4.57 0.80 0.00 1.25 3.02 -1.24 -4.82 115.26 109.70 2kbz n ASN 130 Ca 0.17 0.35 0.07 0.00 -0.03 0.00 0.00 54.58 55.13 2kbz n ASN 130 Cb 0.28 0.29 0.30 0.00 -0.61 0.00 0.00 39.78 40.04 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 -2.83 0.06 0.21 3.52 -0.02 -1.26 -4.03 135.00 130.65 2kbz n PRO 131 Ca -0.09 0.24 -0.13 0.00 -2.02 0.00 0.00 63.50 61.50 2kbz n PRO 131 Cb 0.80 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.70 2kbz n PRO 131 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2kbz h TYR 132 N 0.00 -0.53 -3.35 6.00 -0.00 -1.91 -3.47 116.97 113.72 2kbz h TYR 132 Ca 0.00 -0.01 -0.11 0.00 -0.00 0.00 0.00 58.73 58.61 2kbz h TYR 132 Cb 0.20 0.18 -0.18 0.00 -0.00 0.00 0.00 36.73 36.93 2kbz h TYR 132 CO 0.00 -0.21 -0.31 0.50 -0.00 0.00 0.00 178.16 178.14 2kbz s ARG 133 N -4.33 0.73 0.00 0.10 3.00 -1.26 -4.94 118.95 112.24 2kbz s ARG 133 Ca -0.13 -0.48 0.00 0.00 -1.00 0.00 0.00 55.73 54.12 2kbz s ARG 133 Cb 0.02 0.31 0.00 0.00 0.00 0.00 0.00 34.95 35.28 2kbz s ARG 133 CO 0.45 -0.22 0.00 1.63 0.00 0.00 0.00 175.30 177.17 2kbz n LYS 134 N 0.79 0.00 0.00 5.12 4.76 -1.26 -4.75 118.16 122.82 2kbz n LYS 134 Ca -0.19 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.25 2kbz n LYS 134 Cb 0.58 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.77 2kbz n LYS 134 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2kbz n MET 135 N 0.00 0.00 -2.91 1.97 2.81 -1.26 -4.69 117.12 113.05 2kbz n MET 135 Ca 0.00 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 2kbz n MET 135 Cb 0.00 -1.08 0.01 0.00 -0.71 0.00 0.00 33.22 31.44 2kbz n MET 135 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kbz n ALA 136 N 0.00 -1.58 -1.50 3.04 0.00 -1.26 -4.86 120.51 114.34 2kbz n ALA 136 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2kbz n ALA 136 Cb 0.00 0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.84 2kbz n ALA 136 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37