#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 1.06 0.14 -1.09 5.12 -1.26 -4.34 116.66 116.29 2kbz n ARG 40 Ca 0.00 -0.47 -0.13 0.00 -1.93 0.00 0.00 57.85 55.32 2kbz n ARG 40 Cb 0.00 -1.49 -0.08 0.00 -1.16 0.00 0.00 32.46 29.73 2kbz n ARG 40 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2kbz h VAL 41 N 1.14 0.75 0.00 1.55 2.07 -2.08 -3.22 116.25 116.46 2kbz h VAL 41 Ca 0.00 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 2kbz h VAL 41 Cb 0.37 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2kbz h VAL 41 CO 0.00 0.13 -0.32 0.11 0.02 0.00 0.00 177.57 177.51 2kbz h LYS 42 N -0.73 0.00 -0.38 1.57 6.56 -2.01 -3.37 116.57 118.21 2kbz h LYS 42 Ca -0.04 0.00 0.11 0.00 -1.06 0.00 0.00 60.65 59.66 2kbz h LYS 42 Cb 0.49 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.14 2kbz h LYS 42 CO 0.06 0.32 0.41 -0.09 -2.06 0.00 0.00 179.45 178.09 2kbz h ARG 43 N 0.00 0.00 0.01 3.15 9.65 -1.75 -1.53 114.38 123.91 2kbz h ARG 43 Ca -0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2kbz h ARG 43 Cb 0.68 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.26 2kbz h ARG 43 CO 0.04 0.00 -0.01 -0.07 2.80 0.00 0.00 179.97 182.74 2kbz h LEU 44 N 0.00 -0.01 -0.21 3.80 4.07 -1.75 -3.33 115.31 117.88 2kbz h LEU 44 Ca 0.18 -0.80 0.00 0.00 0.08 0.00 0.00 57.88 57.34 2kbz h LEU 44 Cb 1.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.74 2kbz h LEU 44 CO -0.00 0.84 0.00 0.00 -1.08 0.00 0.00 178.44 178.20 2kbz n LEU 45 N -4.68 0.32 0.08 1.67 -0.00 -1.20 -2.95 117.00 110.23 2kbz n LEU 45 Ca -0.09 -0.12 0.12 0.00 -0.00 0.00 0.00 56.01 55.92 2kbz n LEU 45 Cb 0.39 -0.01 0.28 0.00 -0.00 0.00 0.00 43.42 44.08 2kbz n LEU 45 CO 0.31 0.06 0.59 -0.24 -0.00 0.00 0.00 177.39 178.10 2kbz n SER 46 N -0.65 0.73 -3.16 1.45 2.88 -0.58 -3.61 113.62 110.69 2kbz n SER 46 Ca 0.18 0.31 -0.36 0.00 -1.33 0.00 0.00 58.87 57.67 2kbz n SER 46 Cb 0.13 -0.25 -0.02 0.00 -0.75 0.00 0.00 64.21 63.32 2kbz n SER 46 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2kbz n ILE 47 N -2.15 4.64 0.00 2.46 5.41 -1.19 -4.54 119.36 123.99 2kbz n ILE 47 Ca 0.04 -3.94 0.00 0.00 1.00 0.00 0.00 62.75 59.86 2kbz n ILE 47 Cb 0.43 -1.90 0.00 0.00 -0.71 0.00 0.00 39.64 37.47 2kbz n ILE 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2kbz n THR 48 N 1.38 0.00 0.00 1.39 -1.04 -1.26 -2.60 114.28 112.15 2kbz n THR 48 Ca 0.58 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.59 2kbz n THR 48 Cb 0.35 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 2kbz n THR 48 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2kbz n ASN 49 N 2.66 0.00 -2.72 8.00 4.05 -1.24 -4.96 115.26 121.06 2kbz n ASN 49 Ca 0.00 0.00 -0.14 0.00 0.45 0.00 0.00 54.58 54.89 2kbz n ASN 49 Cb 0.00 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 40.98 2kbz n ASN 49 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 2kbz n ASP 50 N 0.00 -0.97 -0.08 1.20 5.68 -1.15 -4.84 116.55 116.39 2kbz n ASP 50 Ca 0.00 -0.23 -0.10 0.00 -0.50 0.00 0.00 54.79 53.95 2kbz n ASP 50 Cb 0.00 -0.90 -0.06 0.00 -1.14 0.00 0.00 41.12 39.03 2kbz n ASP 50 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2kbz h LYS 51 N -0.29 0.00 -2.21 0.11 3.11 -1.83 -3.41 116.57 112.05 2kbz h LYS 51 Ca -0.20 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.61 2kbz h LYS 51 Cb 0.83 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.04 2kbz h LYS 51 CO 0.30 0.43 0.04 0.72 -2.81 0.00 0.00 179.45 178.12 2kbz n HIS 52 N -4.58 0.00 -0.04 1.91 8.25 -1.18 -4.36 115.22 115.21 2kbz n HIS 52 Ca -0.14 -0.52 -0.07 0.00 -0.26 0.00 0.00 57.72 56.72 2kbz n HIS 52 Cb 0.38 -0.57 0.10 0.00 1.12 0.00 0.00 29.99 31.02 2kbz n HIS 52 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 2kbz h ASP 53 N 3.41 0.67 -0.13 0.41 3.32 -1.88 -0.24 116.42 121.99 2kbz h ASP 53 Ca 0.03 -0.27 -0.19 0.00 0.02 0.00 0.00 57.03 56.62 2kbz h ASP 53 Cb 0.53 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2kbz h ASP 53 CO 0.14 0.95 -0.61 1.05 -1.72 0.00 0.00 179.24 179.06 2kbz h GLU 54 N 0.54 0.74 0.04 3.56 9.09 -1.98 0.52 114.58 127.09 2kbz h GLU 54 Ca 0.06 -0.50 -0.25 0.00 0.05 0.00 0.00 59.36 58.72 2kbz h GLU 54 Cb 0.84 0.07 0.01 0.00 -1.65 0.00 0.00 28.75 28.02 2kbz h GLU 54 CO 0.07 1.12 -1.04 -0.92 0.05 0.00 0.00 179.01 178.29 2kbz h TYR 55 N 0.55 0.64 0.09 2.06 3.20 -1.86 -2.31 116.97 119.33 2kbz h TYR 55 Ca -0.00 -0.38 -0.00 0.00 3.14 0.00 0.00 58.73 61.48 2kbz h TYR 55 Cb 1.20 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.41 2kbz h TYR 55 CO 0.07 1.22 -0.04 1.25 -1.64 0.00 0.00 178.16 179.01 2kbz h LEU 56 N 0.20 -0.10 -0.01 2.82 6.46 -1.14 -3.39 115.31 120.16 2kbz h LEU 56 Ca -0.10 -0.48 0.01 0.00 -0.12 0.00 0.00 57.88 57.18 2kbz h LEU 56 Cb 1.70 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.65 2kbz h LEU 56 CO 0.18 0.49 -0.02 0.71 -0.62 0.00 0.00 178.44 179.18 2kbz h THR 57 N -0.75 0.94 -1.01 1.05 1.35 -1.01 -3.33 112.91 110.14 2kbz h THR 57 Ca -0.01 0.00 0.24 0.00 -0.55 0.00 0.00 66.41 66.09 2kbz h THR 57 Cb 0.57 0.94 -0.11 0.00 -1.73 0.00 0.00 68.15 67.82 2kbz h THR 57 CO 0.02 0.00 0.62 -0.33 -0.25 0.00 0.00 175.52 175.58 2kbz h GLU 58 N -0.03 0.54 -0.56 4.72 5.08 -1.61 -1.65 114.58 121.08 2kbz h GLU 58 Ca 0.01 -0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.45 2kbz h GLU 58 Cb 0.05 -0.12 -0.11 0.00 0.50 0.00 0.00 28.75 29.07 2kbz h GLU 58 CO -0.03 0.36 -0.22 0.52 -1.00 0.00 0.00 179.01 178.65 2kbz h MET 59 N 0.56 -0.08 0.11 2.33 2.86 -1.75 -2.97 114.93 116.00 2kbz h MET 59 Ca 0.61 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 58.25 2kbz h MET 59 Cb 1.24 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.92 2kbz h MET 59 CO -0.40 -0.05 -0.05 0.28 1.06 0.00 0.00 176.91 177.75 2kbz h VAL 60 N -0.08 1.03 0.00 -2.22 2.07 -1.42 -2.92 116.25 112.71 2kbz h VAL 60 Ca 0.26 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.50 2kbz h VAL 60 Cb 0.48 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2kbz h VAL 60 CO -0.62 0.27 0.24 -0.65 0.02 0.00 0.00 177.57 176.84 2kbz h PRO 61 N -0.82 0.00 -0.46 1.57 0.11 -1.60 0.39 132.00 131.19 2kbz h PRO 61 Ca -0.02 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 2kbz h PRO 61 Cb 0.56 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 2kbz h PRO 61 CO 0.02 0.00 0.25 -0.07 -0.21 0.00 0.00 178.00 178.00 2kbz h LEU 62 N 0.00 0.58 -0.03 2.35 4.07 -1.42 -0.33 115.31 120.52 2kbz h LEU 62 Ca 0.00 -0.09 -0.13 0.00 0.08 0.00 0.00 57.88 57.74 2kbz h LEU 62 Cb 0.49 -0.15 0.01 0.00 1.08 0.00 0.00 40.66 42.09 2kbz h LEU 62 CO 0.00 0.50 -0.48 0.25 -1.08 0.00 0.00 178.44 177.63 2kbz h LEU 63 N 0.61 0.47 -0.57 1.67 5.85 -0.50 -2.81 115.31 120.02 2kbz h LEU 63 Ca 0.16 -0.73 -0.14 0.00 0.84 0.00 0.00 57.88 58.01 2kbz h LEU 63 Cb 0.05 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2kbz h LEU 63 CO -0.03 1.13 -0.42 0.58 -0.34 0.00 0.00 178.44 179.36 2kbz h VAL 64 N -0.15 1.29 0.11 1.05 2.07 -0.50 0.52 116.25 120.65 2kbz h VAL 64 Ca -0.05 -1.60 -0.28 0.00 0.82 0.00 0.00 66.70 65.59 2kbz h VAL 64 Cb 1.18 1.54 0.02 0.00 -1.52 0.00 0.00 31.29 32.50 2kbz h VAL 64 CO 0.10 0.51 -1.21 -0.33 0.02 0.00 0.00 177.57 176.66 2kbz h GLU 65 N 0.54 0.48 0.43 1.57 5.08 -1.21 0.48 114.58 121.95 2kbz h GLU 65 Ca 0.04 -0.66 -0.01 0.00 -1.00 0.00 0.00 59.36 57.73 2kbz h GLU 65 Cb 0.95 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2kbz h GLU 65 CO 0.09 1.28 -0.30 0.35 -1.00 0.00 0.00 179.01 179.43 2kbz h PHE 66 N 0.20 -0.79 -0.20 4.33 3.57 -1.49 -2.55 116.94 120.02 2kbz h PHE 66 Ca -0.16 -0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.15 2kbz h PHE 66 Cb 1.89 0.29 0.00 0.00 2.79 0.00 0.00 35.95 40.91 2kbz h PHE 66 CO 0.09 -0.45 -0.63 0.00 -2.23 0.00 0.00 178.31 175.09 2kbz h ALA 67 N -0.22 0.51 0.00 2.41 0.00 -0.99 -3.24 119.26 117.73 2kbz h ALA 67 Ca -0.04 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 2kbz h ALA 67 Cb 0.60 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2kbz h ALA 67 CO 0.02 0.70 -0.09 -0.22 0.00 0.00 0.00 179.25 179.66 2kbz h LYS 68 N 0.52 0.00 0.00 0.00 3.11 -0.14 -3.13 116.57 116.92 2kbz h LYS 68 Ca -0.01 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.83 2kbz h LYS 68 Cb 1.22 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.45 2kbz h LYS 68 CO 0.13 0.09 -0.01 0.22 -2.81 0.00 0.00 179.45 177.07 2kbz h ASP 69 N 0.00 0.00 0.65 4.20 3.58 -1.48 -1.65 116.42 121.72 2kbz h ASP 69 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kbz h ASP 69 Cb 0.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2kbz h ASP 69 CO 0.01 0.01 0.00 1.21 -2.88 0.00 0.00 179.24 177.59 2kbz n GLU 70 N -3.55 0.04 -0.24 0.28 0.00 -1.18 -3.84 120.64 112.15 2kbz n GLU 70 Ca -0.03 0.24 0.01 0.00 0.00 0.00 0.00 57.16 57.39 2kbz n GLU 70 Cb 0.09 -1.58 0.10 0.00 0.00 0.00 0.00 31.44 30.05 2kbz n GLU 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kbz n HIS 72 N 0.15 0.00 -4.13 0.00 -0.00 -1.25 -4.84 115.22 105.16 2kbz n HIS 72 Ca 0.08 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 58.04 2kbz n HIS 72 Cb 0.52 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.34 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 -0.66 5.41 -0.09 0.26 6.03 -1.26 -5.05 114.94 119.58 2kbz s ASN 73 Ca 0.00 -0.30 0.08 0.00 -1.03 0.00 0.00 52.86 51.61 2kbz s ASN 73 Cb 0.00 -1.33 0.38 0.00 -3.03 0.00 0.00 41.25 37.27 2kbz s ASN 73 CO 0.00 -0.04 1.14 -0.81 -2.03 0.00 0.00 177.10 175.36 2kbz n PRO 74 N -1.16 2.64 -4.34 3.55 -0.04 -1.26 -4.64 135.00 129.76 2kbz n PRO 74 Ca -0.08 -1.47 -0.35 0.00 -0.04 0.00 0.00 63.50 61.57 2kbz n PRO 74 Cb 0.58 -1.73 -0.08 0.00 -0.04 0.00 0.00 33.50 32.23 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 0.36 -1.32 -2.95 0.54 1.16 -1.26 -4.82 117.46 109.17 2kbz n PHE 75 Ca 0.13 0.67 -0.38 0.00 -1.87 0.00 0.00 57.45 56.00 2kbz n PHE 75 Cb 0.61 -2.64 -0.06 0.00 -1.61 0.00 0.00 39.48 35.79 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 -3.88 4.35 0.50 1.97 -1.09 -1.26 -1.10 121.20 120.70 2kbz s ILE 76 Ca 0.33 1.66 0.03 0.00 -2.23 0.00 0.00 60.65 60.44 2kbz s ILE 76 Cb -0.19 -4.06 -0.01 0.00 -1.58 0.00 0.00 42.46 36.62 2kbz s ILE 76 CO 0.99 0.37 0.14 -0.62 -1.23 0.00 0.00 174.94 174.58 2kbz s ASP 77 N -1.37 4.29 0.61 3.58 2.15 0.20 -4.94 116.67 121.18 2kbz s ASP 77 Ca 0.41 -1.46 0.26 0.00 0.43 0.00 0.00 52.55 52.18 2kbz s ASP 77 Cb -0.21 0.34 0.94 0.00 -0.30 0.00 0.00 42.92 43.69 2kbz s ASP 77 CO 0.25 -0.87 1.35 0.11 -0.17 0.00 0.00 175.17 175.84 2kbz h LYS 78 N 1.21 0.00 -0.00 4.34 1.79 -1.99 0.28 116.57 122.19 2kbz h LYS 78 Ca -0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 2kbz h LYS 78 Cb 1.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 2kbz h LYS 78 CO 0.69 0.00 -0.90 -0.25 -1.08 0.00 0.00 179.45 177.92 2kbz n ASP 79 N -3.25 0.97 -0.08 0.86 8.00 -1.26 -4.94 116.55 116.84 2kbz n ASP 79 Ca 0.21 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.72 2kbz n ASP 79 Cb 1.43 0.97 0.00 0.00 -0.02 0.00 0.00 41.12 43.50 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 1.45 0.98 3.96 0.44 0.00 0.09 -5.11 105.19 107.00 2kbz n GLY 80 Ca 0.04 -0.52 -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 -2.62 5.93 0.49 1.61 4.22 -1.23 -4.83 114.94 118.51 2kbz s ASN 81 Ca 0.00 0.21 -0.18 0.00 -2.14 0.00 0.00 52.86 50.75 2kbz s ASN 81 Cb 0.00 -1.55 -0.09 0.00 1.28 0.00 0.00 41.25 40.90 2kbz s ASN 81 CO 0.00 -0.58 0.98 -1.83 -2.04 0.00 0.00 177.10 173.63 2kbz s GLU 82 N -4.44 3.98 0.10 3.55 -1.05 -1.26 -0.63 118.70 118.95 2kbz s GLU 82 Ca 0.46 1.04 -0.15 0.00 -0.15 0.00 0.00 54.97 56.18 2kbz s GLU 82 Cb -0.10 -2.14 0.03 0.00 -0.44 0.00 0.00 34.13 31.48 2kbz s GLU 82 CO 0.36 -0.25 0.36 0.45 0.95 0.00 0.00 175.26 177.14 2kbz s SER 83 N -2.73 -0.18 -0.27 0.83 0.15 -0.25 -4.78 113.70 106.47 2kbz s SER 83 Ca 0.61 -0.32 -0.01 0.00 0.70 0.00 0.00 55.95 56.92 2kbz s SER 83 Cb -0.10 0.44 0.09 0.00 -1.71 0.00 0.00 66.02 64.73 2kbz s SER 83 CO 0.26 -0.80 0.07 -0.63 1.20 0.00 0.00 173.24 173.34 2kbz s ILE 84 N -3.58 0.77 1.17 6.45 1.09 -1.26 -4.90 121.20 120.93 2kbz s ILE 84 Ca 0.02 -1.11 -0.18 0.00 -1.10 0.00 0.00 60.65 58.28 2kbz s ILE 84 Cb 0.02 -1.46 0.27 0.00 -1.06 0.00 0.00 42.46 40.23 2kbz s ILE 84 CO -0.10 -0.51 1.10 -2.16 -0.10 0.00 0.00 174.94 173.17 2kbz s PRO 85 N 1.70 -0.93 0.19 2.79 0.04 -1.26 -4.64 135.00 132.88 2kbz s PRO 85 Ca 0.06 0.09 -0.16 0.00 0.04 0.00 0.00 61.00 61.02 2kbz s PRO 85 Cb -0.17 -1.62 0.16 0.00 0.04 0.00 0.00 34.50 32.92 2kbz s PRO 85 CO -0.20 -3.55 1.63 0.66 0.04 0.00 0.00 177.00 175.58 2kbz h SER 86 N -2.47 -0.63 0.61 6.66 4.64 -2.02 0.61 113.55 120.94 2kbz h SER 86 Ca -0.48 0.17 -0.17 0.00 -0.47 0.00 0.00 61.79 60.85 2kbz h SER 86 Cb 1.31 0.38 -0.02 0.00 -0.31 0.00 0.00 62.40 63.76 2kbz h SER 86 CO 0.40 -0.21 -0.77 1.23 -0.87 0.00 0.00 176.83 176.60 2kbz h GLY 87 N -0.05 0.13 2.00 -0.77 0.00 -1.97 -2.82 103.07 99.59 2kbz h GLY 87 Ca 0.25 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 2kbz h GLY 87 CO -0.57 0.19 -0.28 -0.24 0.00 0.00 0.00 176.54 175.64 2kbz h VAL 88 N 0.08 0.52 -0.25 4.60 3.04 -1.79 -2.86 116.25 119.58 2kbz h VAL 88 Ca -0.02 -1.58 -0.15 0.00 -1.01 0.00 0.00 66.70 63.94 2kbz h VAL 88 Cb 1.35 2.14 -0.01 0.00 -2.01 0.00 0.00 31.29 32.76 2kbz h VAL 88 CO 0.11 0.28 -0.46 0.25 -1.01 0.00 0.00 177.57 176.74 2kbz h LEU 89 N 0.00 0.69 -0.99 3.16 5.85 -0.85 -1.06 115.31 122.12 2kbz h LEU 89 Ca -0.00 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.33 2kbz h LEU 89 Cb 1.11 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 2kbz h LEU 89 CO 0.04 1.05 0.14 0.16 -0.34 0.00 0.00 178.44 179.48 2kbz h ILE 90 N 0.51 1.23 -0.60 4.05 3.07 -1.36 -2.78 117.51 121.63 2kbz h ILE 90 Ca 0.03 -0.84 -0.05 0.00 1.55 0.00 0.00 64.86 65.56 2kbz h ILE 90 Cb 1.00 0.65 -0.03 0.00 -0.27 0.00 0.00 36.82 38.17 2kbz h ILE 90 CO 0.09 0.31 0.19 0.15 -1.05 0.00 0.00 178.15 177.85 2kbz h PHE 91 N 0.84 0.96 0.74 0.16 3.57 -1.37 -0.40 116.94 121.44 2kbz h PHE 91 Ca 0.18 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 2kbz h PHE 91 Cb 0.30 -0.28 0.01 0.00 2.79 0.00 0.00 35.95 38.77 2kbz h PHE 91 CO 0.02 0.79 -0.36 -0.39 -2.23 0.00 0.00 178.31 176.15 2kbz h VAL 92 N 0.85 0.00 -0.43 1.41 -1.51 -0.97 -0.93 116.25 114.66 2kbz h VAL 92 Ca 0.19 -0.02 0.09 0.00 -1.23 0.00 0.00 66.70 65.73 2kbz h VAL 92 Cb 0.28 0.00 -0.08 0.00 -2.13 0.00 0.00 31.29 29.36 2kbz h VAL 92 CO -0.01 0.00 -0.09 0.00 -1.23 0.00 0.00 177.57 176.25 2kbz h ALA 93 N -1.53 0.31 0.00 5.19 0.00 -1.61 -2.88 119.26 118.74 2kbz h ALA 93 Ca -0.10 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2kbz h ALA 93 Cb 0.76 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2kbz h ALA 93 CO 0.17 -0.44 -0.59 0.87 0.00 0.00 0.00 179.25 179.26 2kbz h LYS 94 N 0.02 0.00 0.60 0.00 1.57 -1.13 -1.30 116.57 116.34 2kbz h LYS 94 Ca 0.21 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 2kbz h LYS 94 Cb 0.32 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.64 2kbz h LYS 94 CO -0.43 0.59 -0.29 0.00 -0.57 0.00 0.00 179.45 178.75 2kbz h ALA 95 N 1.41 -0.81 0.01 3.86 0.00 -1.12 -2.33 119.26 120.28 2kbz h ALA 95 Ca -0.01 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 2kbz h ALA 95 Cb 1.22 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 2kbz h ALA 95 CO 0.08 -0.92 -0.94 0.00 0.00 0.00 0.00 179.25 177.47 2kbz h ALA 96 N -0.52 0.46 0.00 0.00 0.00 -1.61 -1.99 119.26 115.60 2kbz h ALA 96 Ca -0.08 -0.82 -0.04 0.00 0.00 0.00 0.00 54.91 53.97 2kbz h ALA 96 Cb 0.65 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2kbz h ALA 96 CO 0.14 1.09 -0.19 -0.56 0.00 0.00 0.00 179.25 179.73 2kbz h GLN 97 N 0.02 0.00 0.19 0.00 3.07 -1.32 0.01 115.11 117.08 2kbz h GLN 97 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.70 2kbz h GLN 97 Cb 1.64 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.20 2kbz h GLN 97 CO 0.13 0.19 -0.09 0.35 0.09 0.00 0.00 178.83 179.49 2kbz h PHE 98 N 0.00 -0.24 -0.20 0.06 3.04 -1.37 -3.40 116.94 114.84 2kbz h PHE 98 Ca -0.00 -0.01 -0.14 0.00 3.98 0.00 0.00 57.97 61.80 2kbz h PHE 98 Cb 0.63 0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.22 2kbz h PHE 98 CO 0.00 0.13 -0.42 -0.92 -2.02 0.00 0.00 178.31 175.08 2kbz h TYR 99 N -0.94 0.80 0.00 0.41 3.20 -1.33 -3.36 116.97 115.76 2kbz h TYR 99 Ca -0.03 -0.30 -0.04 0.00 3.14 0.00 0.00 58.73 61.51 2kbz h TYR 99 Cb 0.48 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 2kbz h TYR 99 CO 0.07 1.06 -0.18 1.98 -1.64 0.00 0.00 178.16 179.45 2kbz h MET 100 N 0.31 0.00 0.00 1.82 4.05 -1.23 -2.12 114.93 117.77 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 1.03 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.83 2kbz h MET 100 CO 0.09 0.18 0.00 -2.37 0.23 0.00 0.00 176.91 175.05 2kbz n THR 101 N -4.04 0.68 0.86 -0.77 5.66 -1.26 -1.66 114.28 113.75 2kbz n THR 101 Ca -0.02 0.17 0.12 0.00 -3.05 0.00 0.00 64.05 61.27 2kbz n THR 101 Cb 0.26 -0.89 0.54 0.00 -1.55 0.00 0.00 70.33 68.69 2kbz n THR 101 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2kbz n ASN 102 N -1.40 0.04 -1.46 1.09 0.23 -0.80 -3.09 115.26 109.87 2kbz n ASN 102 Ca 0.06 0.50 0.07 0.00 -0.53 0.00 0.00 54.58 54.68 2kbz n ASN 102 Cb 0.17 -0.51 0.31 0.00 -2.08 0.00 0.00 39.78 37.66 2kbz n ASN 102 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kbz n ALA 103 N -1.51 3.23 0.83 -2.53 0.00 -0.67 0.84 120.51 120.70 2kbz n ALA 103 Ca 0.06 -1.38 0.12 0.00 0.00 0.00 0.00 53.44 52.24 2kbz n ALA 103 Cb 0.30 -1.05 0.27 0.00 0.00 0.00 0.00 19.45 18.96 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 0.82 -1.35 0.94 0.00 0.00 -1.18 -3.76 105.19 100.66 2kbz n GLY 104 Ca 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.74 0.35 -1.51 0.99 -0.00 -0.99 -4.73 117.00 109.37 2kbz n LEU 105 Ca 0.05 0.05 -0.09 0.00 -0.00 0.00 0.00 56.01 56.02 2kbz n LEU 105 Cb 0.38 -0.12 0.11 0.00 -0.00 0.00 0.00 43.42 43.78 2kbz n LEU 105 CO 0.34 -0.10 0.82 0.41 -0.00 0.00 0.00 177.39 178.86 2kbz n THR 106 N -3.19 1.92 0.09 1.47 -1.04 0.25 -4.55 114.28 109.22 2kbz n THR 106 Ca -0.04 -0.87 -0.08 0.00 -2.04 0.00 0.00 64.05 61.02 2kbz n THR 106 Cb 0.44 -0.68 -0.00 0.00 -1.82 0.00 0.00 70.33 68.27 2kbz n THR 106 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2kbz h GLY 107 N 2.94 0.19 -0.11 3.41 0.00 -1.70 -2.05 103.07 105.75 2kbz h GLY 107 Ca 0.25 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2kbz h GLY 107 CO 0.47 0.30 -0.73 -0.96 0.00 0.00 0.00 176.54 175.63 2kbz n ARG 108 N -3.65 1.53 -0.59 4.80 1.85 -1.26 -4.52 116.66 114.82 2kbz n ARG 108 Ca -0.03 -0.12 0.06 0.00 -1.00 0.00 0.00 57.85 56.76 2kbz n ARG 108 Cb 0.80 -1.29 0.13 0.00 -1.05 0.00 0.00 32.46 31.05 2kbz n ARG 108 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2kbz n SER 109 N -1.21 1.57 0.00 2.89 3.41 -1.22 -5.05 113.62 114.01 2kbz n SER 109 Ca 0.04 -3.12 0.00 0.00 -0.26 0.00 0.00 58.87 55.53 2kbz n SER 109 Cb 0.27 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 2kbz n SER 109 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2kbz n MET 110 N -0.80 0.00 0.00 4.33 2.81 -0.77 -4.48 117.12 118.21 2kbz n MET 110 Ca 0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 2kbz n MET 110 Cb 0.76 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.27 2kbz n MET 110 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2kbz n ASP 111 N 0.00 0.00 0.04 7.83 2.03 -1.26 -2.78 116.55 122.40 2kbz n ASP 111 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2kbz n ASP 111 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.12 0.00 5.18 -2.24 -1.26 -5.15 114.28 110.93 2kbz n THR 112 Ca 0.00 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2kbz n THR 112 Cb 0.00 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 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 -2.82 0.00 -2.35 2.28 3.14 -1.12 -5.03 118.33 112.43 2kbz n VAL 113 Ca 0.00 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.37 2kbz n VAL 113 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 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 -2.13 -4.92 6.55 2.88 -1.26 -5.08 113.62 109.66 2kbz n SER 114 Ca 0.00 -0.03 -0.26 0.00 -1.33 0.00 0.00 58.87 57.25 2kbz n SER 114 Cb 0.00 -0.72 0.06 0.00 -0.75 0.00 0.00 64.21 62.80 2kbz n SER 114 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2kbz s TYR 115 N -3.02 3.04 -0.03 0.66 -0.85 -1.26 -5.12 117.35 110.77 2kbz s TYR 115 Ca 0.02 0.55 0.06 0.00 -0.52 0.00 0.00 57.07 57.17 2kbz s TYR 115 Cb -0.01 -3.08 -0.02 0.00 0.38 0.00 0.00 41.96 39.23 2kbz s TYR 115 CO 0.04 -1.25 -0.19 -0.80 -1.52 0.00 0.00 175.55 171.82 2kbz s ASN 116 N -4.45 3.62 0.00 -0.18 -0.87 -1.26 -5.04 114.94 106.76 2kbz s ASN 116 Ca 0.58 -0.32 0.24 0.00 -1.57 0.00 0.00 52.86 51.79 2kbz s ASN 116 Cb -0.11 -0.63 1.14 0.00 -0.02 0.00 0.00 41.25 41.63 2kbz s ASN 116 CO 0.45 0.33 1.78 0.49 -2.57 0.00 0.00 177.10 177.58 2kbz n PHE 117 N 2.29 0.00 1.07 2.20 3.72 -1.26 -1.85 117.46 123.63 2kbz n PHE 117 Ca -0.17 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.36 2kbz n PHE 117 Cb 0.52 -0.36 0.35 0.00 -0.94 0.00 0.00 39.48 39.04 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 -1.36 3.26 -1.26 4.37 0.00 -1.26 -3.58 120.51 120.66 2kbz n ALA 118 Ca 0.09 -0.32 0.08 0.00 0.00 0.00 0.00 53.44 53.30 2kbz n ALA 118 Cb 0.22 -1.18 0.17 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.33 2.03 -2.94 0.00 5.66 -0.77 -5.05 114.28 111.88 2kbz n THR 119 Ca 0.07 -2.62 0.00 0.00 -3.05 0.00 0.00 64.05 58.45 2kbz n THR 119 Cb 0.33 -0.24 0.00 0.00 -1.55 0.00 0.00 70.33 68.87 2kbz n THR 119 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2kbz n GLU 120 N -1.30 0.00 0.00 1.09 0.28 -1.22 -4.91 120.64 114.58 2kbz n GLU 120 Ca 0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.18 2kbz n GLU 120 Cb 0.67 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.54 2kbz n GLU 120 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 2kbz n ILE 121 N 0.00 0.00 -2.13 3.84 -6.64 -1.26 -4.87 119.36 108.31 2kbz n ILE 121 Ca 0.00 0.00 -0.41 0.00 -1.77 0.00 0.00 62.75 60.57 2kbz n ILE 121 Cb 0.00 0.00 -0.03 0.00 -1.44 0.00 0.00 39.64 38.17 2kbz n ILE 121 CO 0.00 0.00 0.00 -2.16 -1.77 0.00 0.00 176.55 172.62 2kbz s PRO 122 N -2.62 4.34 0.60 6.28 0.04 -1.26 -4.95 135.00 137.43 2kbz s PRO 122 Ca 0.00 2.17 0.32 0.00 0.04 0.00 0.00 61.00 63.52 2kbz s PRO 122 Cb 0.00 -3.15 1.86 0.00 0.04 0.00 0.00 34.50 33.25 2kbz s PRO 122 CO 0.00 -0.31 2.22 0.77 0.04 0.00 0.00 177.00 179.72 2kbz h SER 123 N 5.08 0.00 -0.01 6.66 0.02 -1.99 -3.01 113.55 120.29 2kbz h SER 123 Ca -0.46 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.43 2kbz h SER 123 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2kbz h SER 123 CO 0.77 0.00 -0.25 0.00 -1.14 0.00 0.00 176.83 176.20 2kbz h THR 124 N 0.00 1.52 0.00 -2.27 1.03 -2.02 -3.30 112.91 107.87 2kbz h THR 124 Ca 0.02 -1.88 -0.09 0.00 -0.01 0.00 0.00 66.41 64.45 2kbz h THR 124 Cb 0.16 2.67 -0.01 0.00 -1.07 0.00 0.00 68.15 69.90 2kbz h THR 124 CO -0.00 0.52 -0.44 0.40 -0.01 0.00 0.00 175.52 175.98 2kbz h ILE 125 N -0.44 1.13 -0.17 0.00 1.08 -1.94 -2.98 117.51 114.19 2kbz h ILE 125 Ca -0.03 -1.62 0.05 0.00 -0.39 0.00 0.00 64.86 62.87 2kbz h ILE 125 Cb 0.98 1.92 -0.01 0.00 -3.07 0.00 0.00 36.82 36.65 2kbz h ILE 125 CO 0.05 0.44 0.16 -0.07 -0.69 0.00 0.00 178.15 178.04 2kbz h LEU 126 N 0.00 0.00 -0.87 1.44 3.38 -1.64 0.20 115.31 117.83 2kbz h LEU 126 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2kbz h LEU 126 Cb 0.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2kbz h LEU 126 CO 0.06 0.00 -0.25 0.50 0.09 0.00 0.00 178.44 178.84 2kbz h LYS 127 N 0.00 0.00 0.00 1.13 3.64 -1.60 -3.05 116.57 116.69 2kbz h LYS 127 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2kbz h LYS 127 Cb 0.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2kbz h LYS 127 CO -0.00 0.25 -0.37 0.87 -2.27 0.00 0.00 179.45 177.93 2kbz h LYS 128 N 0.00 0.00 -0.81 1.90 6.56 -0.74 -3.35 116.57 120.13 2kbz h LYS 128 Ca -0.00 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.60 2kbz h LYS 128 Cb 0.86 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.48 2kbz h LYS 128 CO 0.03 0.00 0.53 1.25 -2.06 0.00 0.00 179.45 179.21 2kbz h LEU 129 N 0.00 0.92 0.13 2.94 7.12 -1.29 -3.36 115.31 121.76 2kbz h LEU 129 Ca 0.00 -0.02 -0.28 0.00 0.13 0.00 0.00 57.88 57.71 2kbz h LEU 129 Cb 0.85 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 40.76 2kbz h LEU 129 CO 0.00 0.66 -1.26 0.78 -0.13 0.00 0.00 178.44 178.50 2kbz h ASN 130 N 1.08 0.43 0.00 1.25 2.35 -1.70 -3.32 115.58 115.68 2kbz h ASN 130 Ca 0.30 -0.47 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2kbz h ASN 130 Cb -0.11 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.12 2kbz h ASN 130 CO -0.07 1.37 0.00 -0.81 -1.65 0.00 0.00 177.43 176.27 2kbz n PRO 131 N -3.53 0.00 0.00 0.81 -0.04 -1.26 -4.77 135.00 126.21 2kbz n PRO 131 Ca -0.09 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2kbz n PRO 131 Cb 1.03 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 2kbz n PRO 131 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2kbz n TYR 132 N -1.32 0.00 0.17 0.54 4.11 -1.25 -4.70 117.16 114.71 2kbz n TYR 132 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.90 57.95 2kbz n TYR 132 Cb 0.00 0.00 0.51 0.00 -0.00 0.00 0.00 39.34 39.86 2kbz n TYR 132 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.86 176.77 2kbz h ARG 133 N 0.00 0.16 0.00 -3.48 2.43 -1.90 -3.13 114.38 108.46 2kbz h ARG 133 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2kbz h ARG 133 Cb 0.00 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2kbz h ARG 133 CO 0.00 0.19 0.00 -0.22 -1.51 0.00 0.00 179.97 178.43 2kbz h LYS 134 N 0.16 0.00 -0.00 0.20 1.63 -1.89 -0.99 116.57 115.68 2kbz h LYS 134 Ca 0.04 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2kbz h LYS 134 Cb 0.13 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 2kbz h LYS 134 CO 0.00 0.00 -0.37 -1.33 -3.45 0.00 0.00 179.45 174.30 2kbz n MET 135 N -2.79 0.52 -1.14 1.90 2.81 -1.18 -4.63 117.12 112.61 2kbz n MET 135 Ca -0.02 -0.31 -0.24 0.00 -1.81 0.00 0.00 57.70 55.31 2kbz n MET 135 Cb 0.07 -1.49 -0.11 0.00 -0.71 0.00 0.00 33.22 30.98 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 -0.96 6.91 -1.04 3.04 0.00 -0.38 -5.09 120.51 122.99 2kbz n ALA 136 Ca 0.09 -2.58 0.00 0.00 0.00 0.00 0.00 53.44 50.96 2kbz n ALA 136 Cb 0.35 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 17.01 2kbz n ALA 136 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37