#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 2.11 -0.32 -1.09 1.85 -1.26 -4.96 116.66 112.99 2kbz n ARG 40 Ca 0.00 -3.69 0.05 0.00 -1.00 0.00 0.00 57.85 53.20 2kbz n ARG 40 Cb 0.00 -1.69 0.20 0.00 -1.05 0.00 0.00 32.46 29.92 2kbz n ARG 40 CO 0.00 0.00 0.00 -0.24 -0.01 0.00 0.00 177.63 177.38 2kbz h VAL 41 N 3.62 0.90 0.00 8.89 3.04 -2.08 -2.52 116.25 128.11 2kbz h VAL 41 Ca 0.03 -0.30 -0.05 0.00 -1.01 0.00 0.00 66.70 65.37 2kbz h VAL 41 Cb 1.22 -0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 30.45 2kbz h VAL 41 CO 0.50 0.16 -0.26 0.07 -1.01 0.00 0.00 177.57 177.03 2kbz h LYS 42 N 0.87 0.00 -0.05 4.17 -0.00 -2.00 -3.28 116.57 116.28 2kbz h LYS 42 Ca 0.44 0.00 0.01 0.00 -0.00 0.00 0.00 60.65 61.10 2kbz h LYS 42 Cb 0.43 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.65 2kbz h LYS 42 CO -0.26 0.26 0.06 -0.09 -0.00 0.00 0.00 179.45 179.41 2kbz h ARG 43 N 0.00 0.00 0.01 0.07 2.43 -1.87 0.27 114.38 115.29 2kbz h ARG 43 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2kbz h ARG 43 Cb 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2kbz h ARG 43 CO 0.03 0.00 -0.01 1.25 -1.51 0.00 0.00 179.97 179.74 2kbz h LEU 44 N 0.00 -0.02 0.00 3.80 5.85 -1.74 -3.38 115.31 119.82 2kbz h LEU 44 Ca 0.02 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 57.96 2kbz h LEU 44 Cb 0.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2kbz h LEU 44 CO -0.00 0.81 -0.20 0.17 -0.34 0.00 0.00 178.44 178.88 2kbz h LEU 45 N -0.88 0.00 0.00 2.25 -0.00 -1.67 0.26 115.31 115.27 2kbz h LEU 45 Ca -0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 2kbz h LEU 45 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.45 2kbz h LEU 45 CO 0.00 0.02 0.00 -1.20 -0.00 0.00 0.00 178.44 177.27 2kbz n SER 46 N -2.42 0.00 0.12 0.17 7.64 0.07 -2.10 113.62 117.10 2kbz n SER 46 Ca 0.04 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.42 2kbz n SER 46 Cb 0.46 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 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 -1.50 0.02 -2.67 0.44 -5.35 -1.23 -4.65 119.36 104.42 2kbz n ILE 47 Ca 0.04 0.01 -0.43 0.00 -0.27 0.00 0.00 62.75 62.10 2kbz n ILE 47 Cb 0.20 -0.52 0.00 0.00 -1.74 0.00 0.00 39.64 37.58 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 -3.30 4.40 0.00 7.28 -1.04 0.90 -1.41 114.28 121.11 2kbz n THR 48 Ca 0.00 -4.68 0.00 0.00 -2.04 0.00 0.00 64.05 57.33 2kbz n THR 48 Cb 0.00 -2.39 0.00 0.00 -1.82 0.00 0.00 70.33 66.12 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 4.30 0.00 -0.39 8.00 3.02 -1.26 -4.07 115.26 124.87 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 0.39 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 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 0.04 6.41 2.03 -0.89 -4.91 116.55 119.23 2kbz n ASP 50 Ca 0.00 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.28 2kbz n ASP 50 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 2kbz n ASP 50 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2kbz h LYS 51 N 0.00 0.00 -0.00 -0.67 3.64 -1.83 -3.36 116.57 114.35 2kbz h LYS 51 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kbz h LYS 51 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2kbz h LYS 51 CO 0.00 0.47 -0.02 0.72 -2.27 0.00 0.00 179.45 178.35 2kbz n HIS 52 N -3.04 0.00 -0.33 1.91 8.25 -1.20 -3.71 115.22 117.10 2kbz n HIS 52 Ca -0.09 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.40 2kbz n HIS 52 Cb 0.89 -0.14 0.17 0.00 1.12 0.00 0.00 29.99 32.04 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 0.21 0.85 -0.08 0.41 3.58 -1.39 0.23 116.42 120.23 2kbz h ASP 53 Ca 0.00 0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.41 2kbz h ASP 53 Cb 0.19 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2kbz h ASP 53 CO 0.00 0.52 -0.22 -0.33 -2.88 0.00 0.00 179.24 176.32 2kbz h GLU 54 N 0.97 0.30 -0.06 0.28 5.08 -1.87 -2.94 114.58 116.34 2kbz h GLU 54 Ca 0.41 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2kbz h GLU 54 Cb 0.27 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2kbz h GLU 54 CO -0.21 0.82 0.01 -0.92 -1.00 0.00 0.00 179.01 177.72 2kbz h TYR 55 N -0.17 0.10 -0.22 4.33 3.20 -1.65 -2.64 116.97 119.93 2kbz h TYR 55 Ca -0.00 -0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.67 2kbz h TYR 55 Cb 0.83 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.07 2kbz h TYR 55 CO 0.12 0.31 -0.61 1.37 -1.64 0.00 0.00 178.16 177.71 2kbz h LEU 56 N -0.14 0.83 0.32 2.82 -0.00 -0.73 -3.34 115.31 115.07 2kbz h LEU 56 Ca 0.02 -0.47 -0.02 0.00 -0.00 0.00 0.00 57.88 57.41 2kbz h LEU 56 Cb 0.26 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.69 2kbz h LEU 56 CO 0.00 1.24 -0.15 0.71 -0.00 0.00 0.00 178.44 180.24 2kbz h THR 57 N 0.54 0.69 -0.08 0.15 1.35 -1.57 -3.25 112.91 110.75 2kbz h THR 57 Ca -0.00 -0.03 0.02 0.00 -0.55 0.00 0.00 66.41 65.85 2kbz h THR 57 Cb 1.20 0.71 -0.00 0.00 -1.73 0.00 0.00 68.15 68.32 2kbz h THR 57 CO 0.12 0.01 0.15 1.05 -0.25 0.00 0.00 175.52 176.60 2kbz h GLU 58 N -0.44 0.00 -0.71 4.72 4.11 -1.61 -1.98 114.58 118.67 2kbz h GLU 58 Ca -0.04 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.43 2kbz h GLU 58 Cb 0.34 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 2kbz h GLU 58 CO 0.07 0.00 0.44 1.98 0.07 0.00 0.00 179.01 181.57 2kbz h MET 59 N 0.00 0.82 0.03 1.06 4.05 -1.67 -2.86 114.93 116.36 2kbz h MET 59 Ca 0.04 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2kbz h MET 59 Cb 0.34 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 30.96 2kbz h MET 59 CO -0.00 0.54 -0.01 0.28 0.23 0.00 0.00 176.91 177.95 2kbz h VAL 60 N 0.84 1.36 -0.34 -5.77 2.07 -1.45 -2.96 116.25 110.00 2kbz h VAL 60 Ca 0.30 -1.28 0.10 0.00 0.82 0.00 0.00 66.70 66.63 2kbz h VAL 60 Cb 0.07 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 2kbz h VAL 60 CO -0.13 0.32 0.54 -0.65 0.02 0.00 0.00 177.57 177.67 2kbz h PRO 61 N -0.61 0.00 0.24 1.57 0.11 -1.61 0.36 132.00 132.06 2kbz h PRO 61 Ca -0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2kbz h PRO 61 Cb 0.56 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.67 2kbz h PRO 61 CO 0.01 0.00 -0.13 -0.07 -0.21 0.00 0.00 178.00 177.59 2kbz h LEU 62 N 0.00 -0.33 0.37 2.35 3.38 -1.38 -0.02 115.31 119.69 2kbz h LEU 62 Ca 0.16 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2kbz h LEU 62 Cb 1.24 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2kbz h LEU 62 CO -0.00 -0.22 -0.18 0.25 0.09 0.00 0.00 178.44 178.38 2kbz h LEU 63 N -0.35 -0.43 -1.03 1.67 5.85 -1.01 -2.87 115.31 117.13 2kbz h LEU 63 Ca -0.03 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 2kbz h LEU 63 Cb 0.28 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2kbz h LEU 63 CO 0.03 -0.22 -0.48 1.62 -0.34 0.00 0.00 178.44 179.05 2kbz h VAL 64 N -0.60 1.32 0.09 1.05 3.04 -0.46 -0.07 116.25 120.62 2kbz h VAL 64 Ca -0.05 -1.65 -0.26 0.00 -1.01 0.00 0.00 66.70 63.73 2kbz h VAL 64 Cb 0.44 1.90 0.03 0.00 -2.01 0.00 0.00 31.29 31.64 2kbz h VAL 64 CO 0.08 0.47 -1.08 -0.08 -1.01 0.00 0.00 177.57 175.96 2kbz h GLU 65 N 0.00 0.57 0.35 4.17 4.81 -1.12 -0.07 114.58 123.29 2kbz h GLU 65 Ca -0.00 -0.73 -0.01 0.00 -0.13 0.00 0.00 59.36 58.48 2kbz h GLU 65 Cb 0.86 0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2kbz h GLU 65 CO 0.06 1.32 -0.28 0.35 -0.73 0.00 0.00 179.01 179.73 2kbz h PHE 66 N 0.17 -0.74 -0.26 0.92 3.04 -1.39 -2.71 116.94 115.96 2kbz h PHE 66 Ca -0.16 -0.00 -0.18 0.00 3.98 0.00 0.00 57.97 61.61 2kbz h PHE 66 Cb 1.77 0.28 -0.00 0.00 2.56 0.00 0.00 35.95 40.55 2kbz h PHE 66 CO 0.13 -0.41 -0.56 0.00 -2.02 0.00 0.00 178.31 175.44 2kbz h ALA 67 N -0.07 0.51 0.00 2.41 0.00 -1.14 -3.32 119.26 117.65 2kbz h ALA 67 Ca -0.03 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 2kbz h ALA 67 Cb 0.55 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2kbz h ALA 67 CO -0.01 0.68 -0.19 -0.22 0.00 0.00 0.00 179.25 179.52 2kbz h LYS 68 N 0.61 0.00 -0.19 0.00 1.63 -1.08 -3.33 116.57 114.20 2kbz h LYS 68 Ca 0.01 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.86 2kbz h LYS 68 Cb 1.16 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.78 2kbz h LYS 68 CO 0.12 0.19 0.39 0.22 -3.45 0.00 0.00 179.45 176.91 2kbz h ASP 69 N 0.00 0.00 -0.04 4.20 3.58 -1.58 0.24 116.42 122.82 2kbz h ASP 69 Ca -0.00 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.46 2kbz h ASP 69 Cb 0.94 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.99 2kbz h ASP 69 CO 0.02 0.00 0.07 -0.08 -2.88 0.00 0.00 179.24 176.37 2kbz h GLU 70 N 0.00 0.00 0.00 0.28 4.22 -1.80 -3.32 114.58 113.96 2kbz h GLU 70 Ca 0.09 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.42 2kbz h GLU 70 Cb 0.87 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 2kbz h GLU 70 CO -0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 179.01 176.31 2kbz n HIS 72 N -3.81 0.00 -4.04 0.00 8.25 -1.25 -4.89 115.22 109.48 2kbz n HIS 72 Ca -0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.35 2kbz n HIS 72 Cb 0.55 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.58 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 -0.73 0.07 0.00 0.41 2.20 -1.26 -5.07 114.94 110.56 2kbz s ASN 73 Ca 0.00 -1.02 0.23 0.00 -0.94 0.00 0.00 52.86 51.13 2kbz s ASN 73 Cb 0.00 0.44 0.14 0.00 -2.00 0.00 0.00 41.25 39.83 2kbz s ASN 73 CO 0.00 -0.91 1.18 -0.81 -2.94 0.00 0.00 177.10 173.62 2kbz n PRO 74 N -0.24 0.95 -4.00 3.55 -0.04 -1.26 -4.28 135.00 129.67 2kbz n PRO 74 Ca -0.04 -0.74 -0.40 0.00 -0.04 0.00 0.00 63.50 62.28 2kbz n PRO 74 Cb 0.63 -1.48 0.01 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.38 -1.54 -4.37 0.54 1.16 -1.26 -4.91 117.46 106.69 2kbz n PHE 75 Ca 0.09 0.28 -0.31 0.00 -1.87 0.00 0.00 57.45 55.64 2kbz n PHE 75 Cb 0.42 -2.71 -0.10 0.00 -1.61 0.00 0.00 39.48 35.48 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 -3.37 3.56 0.49 1.97 1.01 -1.26 -0.38 121.20 123.21 2kbz s ILE 76 Ca 0.34 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 60.08 2kbz s ILE 76 Cb -0.19 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.67 2kbz s ILE 76 CO 0.94 0.28 0.18 1.51 0.00 0.00 0.00 174.94 177.86 2kbz s ASP 77 N -1.73 4.36 0.58 3.58 1.47 0.98 -4.81 116.67 121.10 2kbz s ASP 77 Ca 0.19 -1.35 0.18 0.00 1.18 0.00 0.00 52.55 52.75 2kbz s ASP 77 Cb -0.11 0.15 0.98 0.00 -0.34 0.00 0.00 42.92 43.61 2kbz s ASP 77 CO 0.10 -0.82 1.52 0.50 0.68 0.00 0.00 175.17 177.15 2kbz h LYS 78 N 1.21 0.00 -0.10 2.11 3.64 -1.99 0.13 116.57 121.57 2kbz h LYS 78 Ca -0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 2kbz h LYS 78 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2kbz h LYS 78 CO 0.68 0.00 0.00 -3.47 -2.27 0.00 0.00 179.45 174.39 2kbz n ASP 79 N -2.57 2.62 -0.84 4.20 2.03 -1.26 -4.97 116.55 115.75 2kbz n ASP 79 Ca -0.01 -1.77 -0.07 0.00 0.52 0.00 0.00 54.79 53.46 2kbz n ASP 79 Cb 0.53 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 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 1.01 0.17 3.78 0.27 0.00 0.44 -5.06 105.19 105.80 2kbz n GLY 80 Ca 0.11 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.77 4.55 0.63 1.61 0.01 -1.25 -4.84 114.94 112.87 2kbz s ASN 81 Ca 0.03 -1.06 -0.17 0.00 -0.71 0.00 0.00 52.86 50.94 2kbz s ASN 81 Cb -0.01 -0.35 -0.02 0.00 0.41 0.00 0.00 41.25 41.28 2kbz s ASN 81 CO 0.03 -0.64 1.18 -1.83 -1.51 0.00 0.00 177.10 174.33 2kbz s GLU 82 N -3.99 2.83 -0.14 -0.60 4.04 -1.26 -0.01 118.70 119.57 2kbz s GLU 82 Ca 0.40 1.70 0.01 0.00 0.04 0.00 0.00 54.97 57.12 2kbz s GLU 82 Cb 0.02 -1.92 0.02 0.00 0.02 0.00 0.00 34.13 32.26 2kbz s GLU 82 CO 0.23 -1.29 -0.15 0.45 -1.84 0.00 0.00 175.26 172.66 2kbz s SER 83 N -1.89 2.67 -0.02 0.83 0.15 0.48 -4.64 113.70 111.29 2kbz s SER 83 Ca 0.74 -0.49 0.02 0.00 0.70 0.00 0.00 55.95 56.93 2kbz s SER 83 Cb -0.27 -1.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.85 2kbz s SER 83 CO 0.36 -0.03 -0.08 -0.63 1.20 0.00 0.00 173.24 174.06 2kbz s ILE 84 N 1.35 0.66 0.88 6.45 1.01 -1.26 -4.89 121.20 125.40 2kbz s ILE 84 Ca 0.02 -0.30 -0.12 0.00 0.00 0.00 0.00 60.65 60.25 2kbz s ILE 84 Cb -0.13 -0.60 0.20 0.00 0.01 0.00 0.00 42.46 41.94 2kbz s ILE 84 CO -0.09 0.21 1.20 -0.81 0.00 0.00 0.00 174.94 175.46 2kbz n PRO 85 N 3.29 -0.95 -0.15 2.79 -0.04 -1.26 -4.89 135.00 133.80 2kbz n PRO 85 Ca -0.18 -2.16 -0.03 0.00 -0.04 0.00 0.00 63.50 61.09 2kbz n PRO 85 Cb 0.55 -1.14 0.04 0.00 -0.04 0.00 0.00 33.50 32.91 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 -1.39 -0.28 0.03 3.54 0.02 -2.02 -2.35 113.55 111.09 2kbz h SER 86 Ca -0.39 0.12 -0.23 0.00 -0.84 0.00 0.00 61.79 60.45 2kbz h SER 86 Cb 1.16 0.23 0.01 0.00 0.14 0.00 0.00 62.40 63.94 2kbz h SER 86 CO 0.31 -0.10 -0.87 1.23 -1.14 0.00 0.00 176.83 176.25 2kbz h GLY 87 N 0.07 0.72 2.00 -3.77 0.00 -1.98 -2.76 103.07 97.35 2kbz h GLY 87 Ca 0.23 -1.12 -0.06 0.00 0.00 0.00 0.00 47.33 46.38 2kbz h GLY 87 CO -0.42 0.99 -0.30 -2.08 0.00 0.00 0.00 176.54 174.73 2kbz h VAL 88 N 0.41 0.66 -0.10 4.60 2.07 -1.82 -2.67 116.25 119.39 2kbz h VAL 88 Ca -0.08 -1.38 -0.06 0.00 0.82 0.00 0.00 66.70 66.00 2kbz h VAL 88 Cb 1.50 1.92 -0.00 0.00 -1.52 0.00 0.00 31.29 33.19 2kbz h VAL 88 CO 0.17 0.29 -0.17 0.25 0.02 0.00 0.00 177.57 178.13 2kbz h LEU 89 N 0.00 0.33 -1.86 2.57 7.12 -1.44 -2.20 115.31 119.83 2kbz h LEU 89 Ca -0.00 -0.54 -0.02 0.00 0.13 0.00 0.00 57.88 57.44 2kbz h LEU 89 Cb 0.89 -0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 40.93 2kbz h LEU 89 CO 0.04 0.81 -0.12 0.16 -0.13 0.00 0.00 178.44 179.20 2kbz h ILE 90 N -0.14 0.92 0.79 4.05 3.07 -1.31 -2.18 117.51 122.72 2kbz h ILE 90 Ca 0.01 -0.42 -0.04 0.00 1.55 0.00 0.00 64.86 65.96 2kbz h ILE 90 Cb 0.74 1.24 0.01 0.00 -0.27 0.00 0.00 36.82 38.54 2kbz h ILE 90 CO 0.04 0.11 -0.38 0.15 -1.05 0.00 0.00 178.15 177.03 2kbz h PHE 91 N 0.00 -0.98 -0.31 0.16 3.57 -1.50 -2.08 116.94 115.80 2kbz h PHE 91 Ca -0.00 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.55 2kbz h PHE 91 Cb 0.23 0.32 -0.08 0.00 2.79 0.00 0.00 35.95 39.22 2kbz h PHE 91 CO 0.00 -0.59 -0.22 -0.39 -2.23 0.00 0.00 178.31 174.87 2kbz h VAL 92 N -1.15 0.41 0.12 1.41 -1.51 -0.75 0.32 116.25 115.09 2kbz h VAL 92 Ca -0.11 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.36 2kbz h VAL 92 Cb 0.82 0.41 0.00 0.00 -2.13 0.00 0.00 31.29 30.39 2kbz h VAL 92 CO 0.18 0.00 -0.06 0.00 -1.23 0.00 0.00 177.57 176.46 2kbz h ALA 93 N 0.95 -0.16 0.00 5.19 0.00 -1.65 -2.86 119.26 120.73 2kbz h ALA 93 Ca 0.16 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 2kbz h ALA 93 Cb 0.44 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2kbz h ALA 93 CO -0.43 -0.53 -0.66 1.57 0.00 0.00 0.00 179.25 179.21 2kbz h LYS 94 N -0.29 0.00 0.39 0.00 2.10 -1.20 -1.37 116.57 116.21 2kbz h LYS 94 Ca -0.02 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.61 2kbz h LYS 94 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 2kbz h LYS 94 CO 0.03 0.66 -0.19 0.00 -2.00 0.00 0.00 179.45 177.95 2kbz h ALA 95 N 1.34 -0.52 0.04 0.07 0.00 -1.04 -2.31 119.26 116.85 2kbz h ALA 95 Ca -0.01 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.56 2kbz h ALA 95 Cb 1.26 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2kbz h ALA 95 CO 0.09 -0.78 -1.02 0.00 0.00 0.00 0.00 179.25 177.54 2kbz h ALA 96 N 0.06 0.34 0.00 0.00 0.00 -1.56 -2.33 119.26 115.78 2kbz h ALA 96 Ca -0.05 -0.83 -0.06 0.00 0.00 0.00 0.00 54.91 53.97 2kbz h ALA 96 Cb 0.42 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2kbz h ALA 96 CO 0.09 1.03 -0.29 -0.56 0.00 0.00 0.00 179.25 179.51 2kbz h GLN 97 N 0.07 0.00 0.21 0.00 -0.00 -1.32 -0.39 115.11 113.67 2kbz h GLN 97 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.58 2kbz h GLN 97 Cb 1.72 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.21 2kbz h GLN 97 CO 0.15 0.29 -0.10 0.35 -0.00 0.00 0.00 178.83 179.53 2kbz h PHE 98 N 0.00 -0.27 0.03 0.06 3.04 -1.40 -3.34 116.94 115.06 2kbz h PHE 98 Ca -0.00 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 2kbz h PHE 98 Cb 0.74 0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.34 2kbz h PHE 98 CO 0.00 0.05 -0.02 0.10 -2.02 0.00 0.00 178.31 176.42 2kbz h TYR 99 N -0.99 -0.04 0.00 0.41 -0.00 -1.44 -3.39 116.97 111.52 2kbz h TYR 99 Ca -0.03 -0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.64 2kbz h TYR 99 Cb 0.43 0.01 -0.01 0.00 -0.00 0.00 0.00 36.73 37.17 2kbz h TYR 99 CO 0.05 0.55 -0.28 1.98 -0.00 0.00 0.00 178.16 180.46 2kbz h MET 100 N -0.68 0.00 0.00 0.10 4.05 -1.30 -2.72 114.93 114.39 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 0.61 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.41 2kbz h MET 100 CO 0.01 0.28 0.00 2.41 0.23 0.00 0.00 176.91 179.84 2kbz n THR 101 N -3.98 0.33 1.01 -0.77 -1.04 -1.25 -1.35 114.28 107.24 2kbz n THR 101 Ca -0.02 0.08 0.13 0.00 -2.04 0.00 0.00 64.05 62.20 2kbz n THR 101 Cb 0.35 -0.78 0.40 0.00 -1.82 0.00 0.00 70.33 68.48 2kbz n THR 101 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2kbz n ASN 102 N -1.21 0.32 -1.76 8.00 4.05 -1.02 -4.43 115.26 119.21 2kbz n ASN 102 Ca 0.10 0.01 -0.14 0.00 0.45 0.00 0.00 54.58 54.99 2kbz n ASN 102 Cb 0.13 -0.03 0.06 0.00 1.23 0.00 0.00 39.78 41.16 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 -1.48 4.63 0.09 5.20 0.00 -0.46 -3.49 120.51 125.01 2kbz n ALA 103 Ca 0.06 -1.55 0.04 0.00 0.00 0.00 0.00 53.44 51.99 2kbz n ALA 103 Cb 0.34 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 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 2.54 0.00 0.00 0.00 0.00 -1.81 -3.37 103.07 100.42 2kbz h GLY 104 Ca 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 2kbz h GLY 104 CO 0.66 0.00 -0.30 1.47 0.00 0.00 0.00 176.54 178.37 2kbz n LEU 105 N -2.97 0.95 -2.19 3.11 -0.00 -1.23 -4.78 117.00 109.90 2kbz n LEU 105 Ca -0.03 0.13 -0.28 0.00 -0.00 0.00 0.00 56.01 55.82 2kbz n LEU 105 Cb 0.73 -0.30 0.10 0.00 -0.00 0.00 0.00 43.42 43.94 2kbz n LEU 105 CO 0.41 -0.56 1.35 1.07 -0.00 0.00 0.00 177.39 179.66 2kbz n THR 106 N -3.47 3.30 -2.03 1.47 5.66 -1.25 -4.94 114.28 113.03 2kbz n THR 106 Ca -0.02 -2.37 -0.29 0.00 -3.05 0.00 0.00 64.05 58.32 2kbz n THR 106 Cb 0.15 -1.01 0.18 0.00 -1.55 0.00 0.00 70.33 68.09 2kbz n THR 106 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2kbz s GLY 107 N -1.27 1.79 0.00 1.09 0.00 -1.26 -4.77 107.32 102.90 2kbz s GLY 107 Ca 0.55 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.96 2kbz s GLY 107 CO 0.02 -0.56 0.00 -2.13 0.00 0.00 0.00 173.10 170.43 2kbz n ARG 108 N -3.65 0.00 -1.06 2.90 0.63 -1.26 -5.05 116.66 109.17 2kbz n ARG 108 Ca 0.16 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 57.01 2kbz n ARG 108 Cb 0.60 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.47 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 -0.80 -4.94 6.15 7.64 -1.26 -4.90 113.62 115.51 2kbz n SER 109 Ca 0.00 -1.51 -0.23 0.00 1.01 0.00 0.00 58.87 58.14 2kbz n SER 109 Cb 0.00 -0.66 0.01 0.00 -1.01 0.00 0.00 64.21 62.55 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 5.40 2.30 -1.21 1.43 0.00 -1.26 -5.02 119.30 120.94 2kbz s MET 110 Ca 0.23 -1.85 -0.16 0.00 0.00 0.00 0.00 55.69 53.92 2kbz s MET 110 Cb 0.01 -2.31 -0.04 0.00 0.00 0.00 0.00 34.83 32.48 2kbz s MET 110 CO 0.07 -0.66 2.19 -0.25 0.00 0.00 0.00 175.02 176.38 2kbz n ASP 111 N -1.90 3.94 0.00 1.11 8.00 -1.26 -4.49 116.55 121.95 2kbz n ASP 111 Ca 0.05 -2.73 0.00 0.00 0.71 0.00 0.00 54.79 52.82 2kbz n ASP 111 Cb 0.63 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.30 2kbz n ASP 111 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2kbz n THR 112 N 5.20 -0.30 -2.54 -3.53 -2.24 -1.26 -5.08 114.28 104.53 2kbz n THR 112 Ca 0.53 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 62.28 2kbz n THR 112 Cb 0.36 -0.28 0.08 0.00 -2.10 0.00 0.00 70.33 68.40 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 1.88 0.06 0.00 2.28 3.14 -1.26 -4.89 118.33 119.54 2kbz n VAL 113 Ca 0.00 -0.88 0.00 0.00 -2.96 0.00 0.00 64.34 60.50 2kbz n VAL 113 Cb 0.00 0.91 0.00 0.00 -1.06 0.00 0.00 33.84 33.69 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 -1.16 0.00 -4.94 6.55 2.88 -1.26 -5.06 113.62 110.63 2kbz n SER 114 Ca -0.19 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.11 2kbz n SER 114 Cb 0.84 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.33 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 -2.51 3.16 0.21 0.66 1.13 -1.26 -5.14 117.35 113.60 2kbz s TYR 115 Ca 0.00 0.37 0.03 0.00 -1.41 0.00 0.00 57.07 56.07 2kbz s TYR 115 Cb 0.00 -2.61 -0.05 0.00 -1.10 0.00 0.00 41.96 38.20 2kbz s TYR 115 CO 0.00 -0.69 -0.01 -0.80 -2.51 0.00 0.00 175.55 171.54 2kbz s ASN 116 N -4.30 1.74 0.00 -0.18 0.02 -1.26 -4.50 114.94 106.46 2kbz s ASN 116 Ca 0.53 -1.19 0.26 0.00 -1.02 0.00 0.00 52.86 51.43 2kbz s ASN 116 Cb -0.10 0.02 1.28 0.00 0.02 0.00 0.00 41.25 42.47 2kbz s ASN 116 CO 0.41 -0.50 1.86 0.49 0.02 0.00 0.00 177.10 179.39 2kbz n PHE 117 N -0.37 0.00 1.12 2.20 3.72 -1.26 -2.03 117.46 120.84 2kbz n PHE 117 Ca -0.06 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.48 2kbz n PHE 117 Cb 0.63 -0.30 0.55 0.00 -0.94 0.00 0.00 39.48 39.42 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 -1.30 2.71 -0.06 4.37 0.00 -1.26 -3.93 120.51 121.04 2kbz n ALA 118 Ca 0.12 -0.19 -0.05 0.00 0.00 0.00 0.00 53.44 53.31 2kbz n ALA 118 Cb 0.21 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.20 2kbz n ALA 118 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2kbz n THR 119 N -1.37 0.78 -0.31 0.00 -2.24 -0.86 -5.08 114.28 105.20 2kbz n THR 119 Ca 0.09 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2kbz n THR 119 Cb 0.32 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 2kbz n THR 119 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kbz n GLU 120 N -2.42 3.18 -0.57 -0.78 -0.58 -1.24 -5.08 120.64 113.15 2kbz n GLU 120 Ca -0.19 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.62 2kbz n GLU 120 Cb 0.86 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.69 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 0.00 -0.38 -2.10 -3.67 2.08 -1.26 -4.93 119.36 109.10 2kbz n ILE 121 Ca 0.00 0.38 -0.41 0.00 0.56 0.00 0.00 62.75 63.28 2kbz n ILE 121 Cb 0.00 -0.58 -0.03 0.00 -0.75 0.00 0.00 39.64 38.29 2kbz n ILE 121 CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 2kbz s PRO 122 N -3.53 4.32 0.27 0.38 0.02 -1.26 -4.96 135.00 130.25 2kbz s PRO 122 Ca 0.00 2.20 0.01 0.00 0.02 0.00 0.00 61.00 63.23 2kbz s PRO 122 Cb 0.00 -3.15 0.63 0.00 0.02 0.00 0.00 34.50 32.01 2kbz s PRO 122 CO 0.00 -0.35 1.70 0.77 -0.33 0.00 0.00 177.00 178.80 2kbz h SER 123 N 5.18 0.29 0.64 2.53 0.02 -2.00 -2.97 113.55 117.24 2kbz h SER 123 Ca -0.45 0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.61 2kbz h SER 123 Cb 1.22 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.88 2kbz h SER 123 CO 0.78 0.03 -0.35 0.74 -1.14 0.00 0.00 176.83 176.88 2kbz h THR 124 N 0.41 0.29 0.00 -2.27 2.02 -2.02 -3.30 112.91 108.03 2kbz h THR 124 Ca 0.51 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.60 2kbz h THR 124 Cb 0.91 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2kbz h THR 124 CO -0.50 0.00 -0.43 0.16 0.37 0.00 0.00 175.52 175.13 2kbz h ILE 125 N -0.92 1.12 -0.41 3.11 -2.65 -1.94 -3.08 117.51 112.74 2kbz h ILE 125 Ca -0.08 -1.56 0.12 0.00 1.03 0.00 0.00 64.86 64.37 2kbz h ILE 125 Cb 0.72 1.88 -0.02 0.00 -2.05 0.00 0.00 36.82 37.36 2kbz h ILE 125 CO 0.11 0.42 0.38 0.25 0.03 0.00 0.00 178.15 179.34 2kbz h LEU 126 N 0.00 0.00 -0.92 0.16 7.12 -1.60 0.39 115.31 120.47 2kbz h LEU 126 Ca -0.00 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.96 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 0.06 0.00 -0.23 0.50 -0.13 0.00 0.00 178.44 178.63 2kbz h LYS 127 N 0.00 0.00 0.00 1.25 3.64 -1.65 -3.15 116.57 116.66 2kbz h LYS 127 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2kbz h LYS 127 Cb 0.96 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2kbz h LYS 127 CO -0.00 0.23 -0.30 1.63 -2.27 0.00 0.00 179.45 178.74 2kbz n LYS 128 N -3.33 0.28 -0.14 1.90 4.76 0.14 -3.53 118.16 118.23 2kbz n LYS 128 Ca 0.01 0.15 0.06 0.00 -2.87 0.00 0.00 58.31 55.66 2kbz n LYS 128 Cb 0.47 -1.75 0.37 0.00 -1.84 0.00 0.00 35.03 32.27 2kbz n LYS 128 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2kbz h LEU 129 N 0.00 0.63 0.03 -0.35 7.12 -1.46 -3.36 115.31 117.91 2kbz h LEU 129 Ca 0.00 -0.00 -0.08 0.00 0.13 0.00 0.00 57.88 57.93 2kbz h LEU 129 Cb 0.74 -0.14 0.01 0.00 -0.53 0.00 0.00 40.66 40.74 2kbz h LEU 129 CO 0.00 0.42 -0.33 0.78 -0.13 0.00 0.00 178.44 179.18 2kbz h ASN 130 N 0.72 0.24 0.00 1.25 2.35 -1.73 -3.34 115.58 115.07 2kbz h ASN 130 Ca 0.27 -0.87 0.00 0.00 -0.55 0.00 0.00 56.30 55.15 2kbz h ASN 130 Cb 0.16 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.45 2kbz h ASN 130 CO -0.08 1.08 0.11 -2.65 -1.65 0.00 0.00 177.43 174.24 2kbz n PRO 131 N -4.43 0.00 0.00 0.81 -0.02 -1.26 -4.77 135.00 125.33 2kbz n PRO 131 Ca -0.11 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2kbz n PRO 131 Cb 0.58 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 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 -1.07 -1.27 0.00 6.00 9.36 -1.26 -4.76 117.16 124.17 2kbz n TYR 132 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2kbz n TYR 132 Cb 0.11 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.82 2kbz n TYR 132 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 2kbz n ARG 133 N -0.54 0.00 0.00 2.98 0.00 -1.26 -2.40 116.66 115.44 2kbz n ARG 133 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.89 2kbz n ARG 133 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 32.46 32.67 2kbz n ARG 133 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2kbz n LYS 134 N -1.42 0.14 0.15 -0.14 0.00 -1.26 -0.87 118.16 114.75 2kbz n LYS 134 Ca 0.00 0.18 0.03 0.00 0.00 0.00 0.00 58.31 58.52 2kbz n LYS 134 Cb 0.00 -1.50 0.05 0.00 0.00 0.00 0.00 35.03 33.58 2kbz n LYS 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kbz h MET 135 N 0.00 0.00 0.00 1.64 -0.00 -1.77 -3.48 114.93 111.32 2kbz h MET 135 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2kbz h MET 135 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.67 2kbz h MET 135 CO 0.00 0.46 0.00 0.00 -0.00 0.00 0.00 176.91 177.37 2kbz n ALA 136 N -2.22 0.00 -1.00 -3.00 0.00 -0.05 -5.19 120.51 109.05 2kbz n ALA 136 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2kbz n ALA 136 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.16 2kbz n ALA 136 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37