#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbz s ARG 40 N 0.00 3.15 0.22 -1.09 6.06 -1.26 -5.06 118.95 120.97 2kbz s ARG 40 Ca 0.00 -0.80 -0.08 0.00 -2.50 0.00 0.00 55.73 52.35 2kbz s ARG 40 Cb 0.00 -2.48 0.30 0.00 0.06 0.00 0.00 34.95 32.84 2kbz s ARG 40 CO 0.00 0.11 1.80 0.28 -2.50 0.00 0.00 175.30 174.98 2kbz h VAL 41 N 5.66 0.91 0.00 7.11 2.07 -2.08 -2.46 116.25 127.46 2kbz h VAL 41 Ca -0.26 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 2kbz h VAL 41 Cb 1.21 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2kbz h VAL 41 CO 0.53 0.12 -0.32 0.07 0.02 0.00 0.00 177.57 177.99 2kbz h LYS 42 N 0.67 0.00 -0.03 1.57 2.10 -2.00 -3.22 116.57 115.65 2kbz h LYS 42 Ca 0.33 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.99 2kbz h LYS 42 Cb 0.29 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2kbz h LYS 42 CO -0.23 0.32 0.03 -0.09 -2.00 0.00 0.00 179.45 177.48 2kbz h ARG 43 N 0.00 0.00 -0.32 0.07 2.43 -1.84 0.42 114.38 115.14 2kbz h ARG 43 Ca -0.00 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 2kbz h ARG 43 Cb 0.65 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2kbz h ARG 43 CO 0.04 0.00 -0.47 -0.07 -1.51 0.00 0.00 179.97 177.96 2kbz h LEU 44 N 0.00 0.98 0.00 3.80 3.38 -1.67 -3.19 115.31 118.61 2kbz h LEU 44 Ca 0.01 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2kbz h LEU 44 Cb 0.07 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2kbz h LEU 44 CO -0.00 1.29 -1.77 0.00 0.09 0.00 0.00 178.44 178.06 2kbz n LEU 45 N -4.05 0.12 0.16 1.67 -0.00 -1.10 -3.50 117.00 110.29 2kbz n LEU 45 Ca -0.04 -0.06 0.13 0.00 -0.00 0.00 0.00 56.01 56.04 2kbz n LEU 45 Cb 0.59 0.00 0.42 0.00 -0.00 0.00 0.00 43.42 44.43 2kbz n LEU 45 CO 0.49 0.03 0.88 0.28 -0.00 0.00 0.00 177.39 179.07 2kbz h SER 46 N 0.00 0.00 0.00 1.45 0.02 -0.26 -1.91 113.55 112.85 2kbz h SER 46 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kbz h SER 46 Cb 0.84 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.38 2kbz h SER 46 CO 0.00 0.00 0.00 -0.38 -1.14 0.00 0.00 176.83 175.31 2kbz n ILE 47 N -2.52 0.03 -3.06 3.27 5.41 -1.21 -4.48 119.36 116.81 2kbz n ILE 47 Ca 0.04 0.01 -0.44 0.00 1.00 0.00 0.00 62.75 63.35 2kbz n ILE 47 Cb 0.38 -0.87 -0.00 0.00 -0.71 0.00 0.00 39.64 38.44 2kbz n ILE 47 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2kbz s THR 48 N -1.03 5.27 0.00 1.39 2.01 -1.23 -1.73 115.64 120.32 2kbz s THR 48 Ca 0.00 -2.73 0.00 0.00 0.31 0.00 0.00 61.69 59.27 2kbz s THR 48 Cb 0.00 -4.81 0.00 0.00 0.01 0.00 0.00 72.50 67.70 2kbz s THR 48 CO 0.00 -1.48 0.00 0.59 -0.69 0.00 0.00 174.62 173.04 2kbz n ASN 49 N 4.93 0.00 -0.67 3.53 3.02 -1.26 -4.39 115.26 120.42 2kbz n ASN 49 Ca 0.31 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 2kbz n ASN 49 Cb 0.43 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 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 0.11 6.41 2.03 -0.72 -4.89 116.55 119.49 2kbz n ASP 50 Ca 0.00 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.39 2kbz n ASP 50 Cb 0.00 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 2kbz n ASP 50 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 2kbz h LYS 51 N 0.00 0.00 -0.00 -0.67 2.10 -1.79 -3.35 116.57 112.86 2kbz h LYS 51 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kbz h LYS 51 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2kbz h LYS 51 CO 0.00 0.11 -0.14 0.72 -2.00 0.00 0.00 179.45 178.14 2kbz n HIS 52 N -2.85 0.00 -0.23 0.07 8.25 -1.22 -4.10 115.22 115.14 2kbz n HIS 52 Ca -0.01 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.45 2kbz n HIS 52 Cb 0.63 -0.32 0.12 0.00 1.12 0.00 0.00 29.99 31.54 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 0.19 0.40 0.39 0.41 1.82 -1.47 0.62 116.42 118.78 2kbz h ASP 53 Ca 0.00 0.06 -0.15 0.00 -0.39 0.00 0.00 57.03 56.55 2kbz h ASP 53 Cb 0.43 -0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.43 2kbz h ASP 53 CO 0.00 0.23 -0.65 1.05 -1.61 0.00 0.00 179.24 178.27 2kbz h GLU 54 N 0.55 0.23 0.00 0.28 4.11 -1.88 -2.36 114.58 115.52 2kbz h GLU 54 Ca 0.33 -0.17 -0.01 0.00 0.07 0.00 0.00 59.36 59.58 2kbz h GLU 54 Cb 0.35 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2kbz h GLU 54 CO -0.27 0.80 -0.04 -0.92 0.07 0.00 0.00 179.01 178.65 2kbz h TYR 55 N 0.17 0.03 -0.11 2.06 5.03 -1.50 -3.32 116.97 119.34 2kbz h TYR 55 Ca -0.01 -0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.19 2kbz h TYR 55 Cb 1.17 -0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.45 2kbz h TYR 55 CO 0.02 0.85 -0.27 1.37 -1.32 0.00 0.00 178.16 178.82 2kbz h LEU 56 N -0.79 0.42 -1.60 2.82 -0.00 0.07 -3.32 115.31 112.91 2kbz h LEU 56 Ca -0.01 -0.58 0.12 0.00 -0.00 0.00 0.00 57.88 57.41 2kbz h LEU 56 Cb 0.86 -0.12 -0.04 0.00 -0.00 0.00 0.00 40.66 41.36 2kbz h LEU 56 CO 0.01 0.93 0.45 0.71 -0.00 0.00 0.00 178.44 180.54 2kbz h THR 57 N -0.07 0.86 -0.31 0.15 1.35 -1.61 -3.11 112.91 110.17 2kbz h THR 57 Ca -0.00 -0.15 -0.06 0.00 -0.55 0.00 0.00 66.41 65.65 2kbz h THR 57 Cb 0.87 0.39 -0.02 0.00 -1.73 0.00 0.00 68.15 67.67 2kbz h THR 57 CO 0.06 0.08 -0.08 -0.33 -0.25 0.00 0.00 175.52 175.00 2kbz h GLU 58 N 0.43 0.51 -0.96 4.72 4.39 -1.66 -3.00 114.58 119.00 2kbz h GLU 58 Ca 0.32 -0.13 0.29 0.00 0.34 0.00 0.00 59.36 60.18 2kbz h GLU 58 Cb 0.66 -0.06 -0.15 0.00 -0.10 0.00 0.00 28.75 29.10 2kbz h GLU 58 CO -0.10 0.59 0.44 1.98 -1.16 0.00 0.00 179.01 180.76 2kbz h MET 59 N 0.47 0.27 0.15 2.33 4.05 -1.66 -2.69 114.93 117.86 2kbz h MET 59 Ca 0.09 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.49 2kbz h MET 59 Cb 0.43 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.17 2kbz h MET 59 CO 0.02 0.18 -0.07 0.28 0.23 0.00 0.00 176.91 177.55 2kbz h VAL 60 N 0.28 0.00 -0.23 -5.77 2.07 -1.63 -2.99 116.25 107.98 2kbz h VAL 60 Ca 0.66 -0.69 0.07 0.00 0.82 0.00 0.00 66.70 67.56 2kbz h VAL 60 Cb 1.45 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2kbz h VAL 60 CO -0.63 0.00 0.47 -0.65 0.02 0.00 0.00 177.57 176.78 2kbz h PRO 61 N -0.89 0.00 -0.15 1.57 0.11 -1.55 0.29 132.00 131.38 2kbz h PRO 61 Ca -0.02 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.87 2kbz h PRO 61 Cb 0.15 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.27 2kbz h PRO 61 CO 0.03 0.00 -0.77 -0.07 -0.21 0.00 0.00 178.00 176.98 2kbz h LEU 62 N 0.00 0.89 0.20 2.35 3.38 -1.66 -1.70 115.31 118.77 2kbz h LEU 62 Ca 0.11 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 2kbz h LEU 62 Cb 1.04 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2kbz h LEU 62 CO -0.00 1.37 -0.10 0.25 0.09 0.00 0.00 178.44 180.06 2kbz h LEU 63 N 0.51 -0.23 -0.13 1.67 5.85 -0.89 -2.77 115.31 119.33 2kbz h LEU 63 Ca -0.05 -0.12 -0.16 0.00 0.84 0.00 0.00 57.88 58.39 2kbz h LEU 63 Cb 1.39 0.06 0.01 0.00 0.37 0.00 0.00 40.66 42.49 2kbz h LEU 63 CO 0.16 -0.01 -0.55 1.62 -0.34 0.00 0.00 178.44 179.32 2kbz h VAL 64 N -0.44 1.34 -0.13 1.05 3.04 -0.66 -2.71 116.25 117.74 2kbz h VAL 64 Ca -0.03 -1.83 -0.18 0.00 -1.01 0.00 0.00 66.70 63.65 2kbz h VAL 64 Cb 0.34 2.11 -0.00 0.00 -2.01 0.00 0.00 31.29 31.72 2kbz h VAL 64 CO 0.04 0.56 -0.67 -0.33 -1.01 0.00 0.00 177.57 176.17 2kbz h GLU 65 N 0.24 0.52 0.05 4.17 4.39 -1.44 0.28 114.58 122.80 2kbz h GLU 65 Ca -0.03 -0.39 -0.00 0.00 0.34 0.00 0.00 59.36 59.28 2kbz h GLU 65 Cb 1.19 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2kbz h GLU 65 CO 0.11 1.01 -0.03 0.27 -1.16 0.00 0.00 179.01 179.22 2kbz h PHE 66 N 0.38 -0.07 -0.31 4.33 -0.00 -1.62 -2.52 116.94 117.12 2kbz h PHE 66 Ca -0.02 -0.00 -0.16 0.00 -0.00 0.00 0.00 57.97 57.79 2kbz h PHE 66 Cb 1.24 0.02 -0.01 0.00 -0.00 0.00 0.00 35.95 37.21 2kbz h PHE 66 CO 0.05 0.18 -0.45 0.00 -0.00 0.00 0.00 178.31 178.09 2kbz h ALA 67 N 0.62 0.61 0.00 12.09 0.00 -1.48 -3.17 119.26 127.93 2kbz h ALA 67 Ca -0.01 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2kbz h ALA 67 Cb 0.27 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2kbz h ALA 67 CO 0.01 0.68 -0.10 -0.22 0.00 0.00 0.00 179.25 179.62 2kbz h LYS 68 N 0.65 0.00 -0.25 0.00 3.64 -0.53 -3.30 116.57 116.78 2kbz h LYS 68 Ca 0.04 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.49 2kbz h LYS 68 Cb 1.03 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 2kbz h LYS 68 CO 0.10 0.10 0.44 0.22 -2.27 0.00 0.00 179.45 178.04 2kbz h ASP 69 N 0.00 0.00 0.45 4.20 3.58 -1.42 -0.94 116.42 122.30 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 0.62 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.67 2kbz h ASP 69 CO 0.01 0.00 0.00 -0.08 -2.88 0.00 0.00 179.24 176.29 2kbz h GLU 70 N 0.00 0.00 -0.43 0.28 4.22 -1.79 -3.40 114.58 113.47 2kbz h GLU 70 Ca 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.55 2kbz h GLU 70 Cb 1.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 2kbz h GLU 70 CO -0.00 0.00 0.01 0.00 -2.18 0.00 0.00 179.01 176.84 2kbz n HIS 72 N 0.03 0.00 -3.42 0.00 8.25 -1.26 -4.79 115.22 114.02 2kbz n HIS 72 Ca 0.25 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.42 2kbz n HIS 72 Cb 1.06 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.14 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 0.00 6.46 0.00 0.41 6.03 -1.26 -5.03 114.94 121.54 2kbz s ASN 73 Ca 0.00 0.68 0.26 0.00 -1.03 0.00 0.00 52.86 52.77 2kbz s ASN 73 Cb 0.00 -2.13 0.68 0.00 -3.03 0.00 0.00 41.25 36.77 2kbz s ASN 73 CO 0.00 -0.15 1.53 -0.81 -2.03 0.00 0.00 177.10 175.65 2kbz n PRO 74 N -0.75 0.13 -4.36 3.55 -0.04 -1.26 -4.67 135.00 127.60 2kbz n PRO 74 Ca -0.02 -0.07 -0.39 0.00 -0.04 0.00 0.00 63.50 62.98 2kbz n PRO 74 Cb 0.54 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.37 -1.50 -4.21 0.54 1.16 -1.26 -4.97 117.46 105.84 2kbz n PHE 75 Ca 0.07 0.75 -0.16 0.00 -1.87 0.00 0.00 57.45 56.24 2kbz n PHE 75 Cb 0.33 -2.51 -0.14 0.00 -1.61 0.00 0.00 39.48 35.55 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 -3.28 0.51 0.51 1.97 1.01 -1.26 0.15 121.20 120.81 2kbz s ILE 76 Ca 0.77 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 61.13 2kbz s ILE 76 Cb -0.44 -0.44 0.00 0.00 0.01 0.00 0.00 42.46 41.60 2kbz s ILE 76 CO 0.97 0.11 0.16 1.51 0.00 0.00 0.00 174.94 177.69 2kbz s ASP 77 N -0.24 4.33 0.60 3.58 1.47 0.39 -4.93 116.67 121.87 2kbz s ASP 77 Ca 0.02 -1.46 0.21 0.00 1.18 0.00 0.00 52.55 52.50 2kbz s ASP 77 Cb -0.03 0.40 1.16 0.00 -0.34 0.00 0.00 42.92 44.12 2kbz s ASP 77 CO -0.00 -0.92 1.63 0.07 0.68 0.00 0.00 175.17 176.63 2kbz h LYS 78 N 1.15 0.00 -0.01 2.11 2.10 -2.03 0.43 116.57 120.31 2kbz h LYS 78 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 2kbz h LYS 78 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 2kbz h LYS 78 CO 0.68 0.00 -0.51 -3.47 -2.00 0.00 0.00 179.45 174.15 2kbz n ASP 79 N -2.66 1.69 -0.21 7.07 2.03 -1.26 -4.97 116.55 118.25 2kbz n ASP 79 Ca -0.01 -1.34 -0.02 0.00 0.52 0.00 0.00 54.79 53.93 2kbz n ASP 79 Cb 0.48 0.57 -0.00 0.00 -0.72 0.00 0.00 41.12 41.46 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 1.34 0.30 3.91 0.27 0.00 0.14 -5.08 105.19 106.07 2kbz n GLY 80 Ca 0.07 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.92 6.46 0.32 1.61 3.84 -1.25 -4.84 114.94 118.16 2kbz s ASN 81 Ca 0.00 0.62 -0.13 0.00 0.21 0.00 0.00 52.86 53.56 2kbz s ASN 81 Cb 0.00 -2.10 -0.08 0.00 -0.55 0.00 0.00 41.25 38.51 2kbz s ASN 81 CO 0.00 -0.09 0.71 -1.83 -2.79 0.00 0.00 177.10 173.11 2kbz s GLU 82 N -3.21 3.93 -0.66 0.43 -1.05 -1.26 -0.46 118.70 116.41 2kbz s GLU 82 Ca 0.42 0.57 -0.19 0.00 -0.15 0.00 0.00 54.97 55.62 2kbz s GLU 82 Cb -0.11 -2.46 0.12 0.00 -0.44 0.00 0.00 34.13 31.24 2kbz s GLU 82 CO 0.28 0.15 0.78 0.45 0.95 0.00 0.00 175.26 177.86 2kbz s SER 83 N -2.46 6.30 -0.50 0.83 0.15 0.12 -4.88 113.70 113.26 2kbz s SER 83 Ca 0.53 -1.62 -0.11 0.00 0.70 0.00 0.00 55.95 55.45 2kbz s SER 83 Cb -0.10 -2.31 0.13 0.00 -1.71 0.00 0.00 66.02 62.02 2kbz s SER 83 CO 0.21 -1.07 0.40 -0.63 1.20 0.00 0.00 173.24 173.34 2kbz s ILE 84 N 2.51 4.52 1.00 6.45 -1.09 -1.26 -4.99 121.20 128.34 2kbz s ILE 84 Ca 0.15 -1.74 -0.16 0.00 -2.23 0.00 0.00 60.65 56.67 2kbz s ILE 84 Cb -0.20 -3.95 0.21 0.00 -1.58 0.00 0.00 42.46 36.94 2kbz s ILE 84 CO 0.03 -0.81 1.27 -2.16 -1.23 0.00 0.00 174.94 172.04 2kbz s PRO 85 N 1.38 0.34 0.21 2.79 0.04 -1.26 -4.84 135.00 133.66 2kbz s PRO 85 Ca 0.05 -0.30 -0.10 0.00 0.04 0.00 0.00 61.00 60.69 2kbz s PRO 85 Cb -0.27 -1.80 0.25 0.00 0.04 0.00 0.00 34.50 32.72 2kbz s PRO 85 CO 0.00 -2.63 1.78 0.77 0.04 0.00 0.00 177.00 176.96 2kbz h SER 86 N -1.80 0.42 -0.19 6.66 0.02 -1.99 -1.00 113.55 115.67 2kbz h SER 86 Ca -0.45 0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.43 2kbz h SER 86 Cb 1.25 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 2kbz h SER 86 CO 0.39 0.26 -0.33 1.23 -1.14 0.00 0.00 176.83 177.24 2kbz h GLY 87 N 0.56 0.62 2.00 -3.77 0.00 -1.94 -2.80 103.07 97.75 2kbz h GLY 87 Ca 0.29 -0.71 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 2kbz h GLY 87 CO -0.22 0.64 -0.22 -2.08 0.00 0.00 0.00 176.54 174.65 2kbz h VAL 88 N 0.23 1.02 -0.29 4.60 2.07 -1.86 -2.82 116.25 119.20 2kbz h VAL 88 Ca 0.01 -0.80 -0.09 0.00 0.82 0.00 0.00 66.70 66.65 2kbz h VAL 88 Cb 0.92 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 2kbz h VAL 88 CO 0.08 0.22 -0.18 0.25 0.02 0.00 0.00 177.57 177.95 2kbz h LEU 89 N 0.00 0.65 -1.26 2.57 7.12 -1.16 -0.41 115.31 122.83 2kbz h LEU 89 Ca -0.00 -0.43 -0.03 0.00 0.13 0.00 0.00 57.88 57.55 2kbz h LEU 89 Cb 0.43 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.35 2kbz h LEU 89 CO 0.03 0.94 0.15 0.16 -0.13 0.00 0.00 178.44 179.59 2kbz h ILE 90 N 0.37 1.18 0.48 4.05 3.07 -1.35 -2.57 117.51 122.75 2kbz h ILE 90 Ca 0.06 -0.61 -0.02 0.00 1.55 0.00 0.00 64.86 65.83 2kbz h ILE 90 Cb 0.72 0.67 0.00 0.00 -0.27 0.00 0.00 36.82 37.94 2kbz h ILE 90 CO 0.05 0.23 -0.23 0.15 -1.05 0.00 0.00 178.15 177.30 2kbz h PHE 91 N 0.66 -0.60 -0.03 0.16 3.57 -1.49 -1.77 116.94 117.44 2kbz h PHE 91 Ca 0.16 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.68 2kbz h PHE 91 Cb 0.18 0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.06 2kbz h PHE 91 CO 0.01 -0.32 -0.38 -0.39 -2.23 0.00 0.00 178.31 174.99 2kbz h VAL 92 N -0.74 0.20 -0.06 1.41 -1.51 -0.68 -0.03 116.25 114.85 2kbz h VAL 92 Ca -0.07 0.00 0.04 0.00 -1.23 0.00 0.00 66.70 65.44 2kbz h VAL 92 Cb 0.54 0.20 -0.06 0.00 -2.13 0.00 0.00 31.29 29.84 2kbz h VAL 92 CO 0.11 0.00 -0.41 0.00 -1.23 0.00 0.00 177.57 176.04 2kbz h ALA 93 N 0.11 -0.62 0.00 5.19 0.00 -1.60 -2.91 119.26 119.42 2kbz h ALA 93 Ca 0.06 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 2kbz h ALA 93 Cb 0.62 0.75 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2kbz h ALA 93 CO -0.32 -0.93 -0.71 1.57 0.00 0.00 0.00 179.25 178.86 2kbz h LYS 94 N -0.53 0.00 0.69 0.00 2.10 -1.26 -2.76 116.57 114.81 2kbz h LYS 94 Ca 0.06 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.68 2kbz h LYS 94 Cb 0.63 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.97 2kbz h LYS 94 CO -0.35 0.71 -0.33 0.00 -2.00 0.00 0.00 179.45 177.48 2kbz h ALA 95 N 1.29 -0.93 0.03 0.07 0.00 -1.01 -2.18 119.26 116.53 2kbz h ALA 95 Ca -0.01 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.47 2kbz h ALA 95 Cb 1.34 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 2kbz h ALA 95 CO 0.09 -1.00 -1.08 0.00 0.00 0.00 0.00 179.25 177.26 2kbz h ALA 96 N -0.66 0.31 -0.15 0.00 0.00 -1.67 -1.97 119.26 115.12 2kbz h ALA 96 Ca -0.09 -0.93 -0.05 0.00 0.00 0.00 0.00 54.91 53.83 2kbz h ALA 96 Cb 0.72 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2kbz h ALA 96 CO 0.16 1.21 -0.15 0.37 0.00 0.00 0.00 179.25 180.83 2kbz h GLN 97 N 0.02 0.24 0.16 0.00 4.15 -1.56 0.86 115.11 118.97 2kbz h GLN 97 Ca -0.05 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 2kbz h GLN 97 Cb 1.82 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.48 2kbz h GLN 97 CO 0.14 0.40 -0.08 0.35 -1.93 0.00 0.00 178.83 177.71 2kbz h PHE 98 N 0.23 -0.19 0.22 3.99 3.04 -1.46 -3.33 116.94 119.44 2kbz h PHE 98 Ca 0.05 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 2kbz h PHE 98 Cb 0.40 0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.98 2kbz h PHE 98 CO 0.01 0.24 -0.11 -0.92 -2.02 0.00 0.00 178.31 175.51 2kbz h TYR 99 N -0.87 -0.28 -0.01 0.41 5.03 -1.20 -3.18 116.97 116.88 2kbz h TYR 99 Ca -0.02 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.29 2kbz h TYR 99 Cb 0.52 0.09 -0.00 0.00 1.55 0.00 0.00 36.73 38.89 2kbz h TYR 99 CO 0.09 0.10 0.01 1.98 -1.32 0.00 0.00 178.16 179.02 2kbz h MET 100 N -0.75 0.00 -0.01 1.82 4.05 -1.06 -2.40 114.93 116.59 2kbz h MET 100 Ca -0.03 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 2kbz h MET 100 Cb 0.50 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 2kbz h MET 100 CO 0.05 0.00 -0.13 2.41 0.23 0.00 0.00 176.91 179.47 2kbz n THR 101 N -4.28 0.00 0.00 -0.77 -1.04 -1.25 -2.17 114.28 104.76 2kbz n THR 101 Ca -0.03 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 2kbz n THR 101 Cb 0.10 0.21 0.00 0.00 -1.82 0.00 0.00 70.33 68.82 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 -0.55 0.00 0.05 8.00 2.85 -0.93 -4.93 115.26 119.74 2kbz n ASN 102 Ca 0.15 0.00 0.06 0.00 -0.11 0.00 0.00 54.58 54.68 2kbz n ASN 102 Cb 0.31 0.00 0.48 0.00 1.24 0.00 0.00 39.78 41.81 2kbz n ASN 102 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kbz h ALA 103 N 0.00 1.81 0.00 5.20 0.00 -1.46 -3.46 119.26 121.35 2kbz h ALA 103 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kbz h ALA 103 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2kbz h ALA 103 CO 0.00 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.82 2kbz n GLY 104 N -1.49 0.20 0.00 0.00 0.00 -1.26 -5.06 105.19 97.57 2kbz n GLY 104 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2kbz n GLY 104 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kbz n LEU 105 N 0.00 0.00 -1.08 0.99 -0.00 -1.26 -4.95 117.00 110.70 2kbz n LEU 105 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.98 2kbz n LEU 105 Cb 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 43.42 43.60 2kbz n LEU 105 CO 0.00 0.00 0.54 0.35 -0.00 0.00 0.00 177.39 178.28 2kbz n THR 106 N -0.92 2.46 -2.89 1.47 -2.24 -1.26 -4.86 114.28 106.04 2kbz n THR 106 Ca 0.00 -3.09 -0.43 0.00 -2.27 0.00 0.00 64.05 58.26 2kbz n THR 106 Cb 0.00 -0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 67.81 2kbz n THR 106 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2kbz s GLY 107 N -2.88 1.76 0.00 3.38 0.00 -1.26 -3.12 107.32 105.20 2kbz s GLY 107 Ca 0.43 -2.53 0.00 0.00 0.00 0.00 0.00 44.72 42.62 2kbz s GLY 107 CO -0.02 2.07 0.00 0.54 0.00 0.00 0.00 173.10 175.68 2kbz n ARG 108 N 6.96 0.00 -1.16 2.90 5.12 -0.92 -2.73 116.66 126.83 2kbz n ARG 108 Ca 0.18 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.76 2kbz n ARG 108 Cb 0.48 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.76 2kbz n ARG 108 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2kbz n SER 109 N 0.00 6.16 -4.42 0.55 7.64 -1.18 -4.87 113.62 117.49 2kbz n SER 109 Ca 0.00 -2.54 -0.45 0.00 1.01 0.00 0.00 58.87 56.90 2kbz n SER 109 Cb 0.00 -1.37 -0.01 0.00 -1.01 0.00 0.00 64.21 61.81 2kbz n SER 109 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2kbz s MET 110 N 3.02 3.82 -0.86 1.43 -1.94 -1.26 -4.91 119.30 118.59 2kbz s MET 110 Ca 0.55 -2.29 0.01 0.00 -1.71 0.00 0.00 55.69 52.25 2kbz s MET 110 Cb 0.14 -4.84 0.31 0.00 2.01 0.00 0.00 34.83 32.46 2kbz s MET 110 CO -0.04 -1.63 1.36 -3.47 -0.01 0.00 0.00 175.02 171.24 2kbz n ASP 111 N 5.40 5.87 0.00 3.03 2.03 -1.26 -4.52 116.55 127.10 2kbz n ASP 111 Ca 0.26 -3.60 0.00 0.00 0.52 0.00 0.00 54.79 51.97 2kbz n ASP 111 Cb 0.46 -0.95 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 2kbz n ASP 111 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2kbz n THR 112 N 0.27 0.00 -2.27 5.18 -1.04 -1.26 -5.07 114.28 110.09 2kbz n THR 112 Ca 0.36 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.37 2kbz n THR 112 Cb 0.33 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.84 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 -1.08 0.00 -2.73 12.58 3.14 -1.26 -4.93 118.33 124.05 2kbz n VAL 113 Ca 0.00 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.30 2kbz n VAL 113 Cb 0.00 -1.16 0.10 0.00 -1.06 0.00 0.00 33.84 31.72 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 1.59 -1.90 -4.94 6.55 7.64 -1.26 -5.15 113.62 116.15 2kbz n SER 114 Ca 0.00 -3.05 -0.24 0.00 1.01 0.00 0.00 58.87 56.60 2kbz n SER 114 Cb 0.48 1.32 -0.00 0.00 -1.01 0.00 0.00 64.21 65.00 2kbz n SER 114 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2kbz s TYR 115 N 0.03 3.43 0.00 1.43 1.13 -1.26 -5.04 117.35 117.07 2kbz s TYR 115 Ca 0.23 0.35 -0.00 0.00 -1.41 0.00 0.00 57.07 56.24 2kbz s TYR 115 Cb 0.35 -2.04 -0.01 0.00 -1.10 0.00 0.00 41.96 39.16 2kbz s TYR 115 CO -0.07 -0.04 0.87 0.27 -2.51 0.00 0.00 175.55 174.07 2kbz n ASN 116 N -1.90 2.12 -0.57 -0.18 2.04 -1.26 -4.91 115.26 110.59 2kbz n ASN 116 Ca -0.03 -1.59 0.46 0.00 -0.44 0.00 0.00 54.58 52.98 2kbz n ASN 116 Cb 0.56 -0.46 0.73 0.00 -2.53 0.00 0.00 39.78 38.09 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 1.88 0.40 -0.03 -2.53 3.72 -1.26 -2.06 117.46 117.58 2kbz n PHE 117 Ca 0.01 0.40 0.04 0.00 -0.05 0.00 0.00 57.45 57.86 2kbz n PHE 117 Cb 0.21 -0.87 0.41 0.00 -0.94 0.00 0.00 39.48 38.29 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 1.33 1.69 -0.00 4.37 0.00 -1.89 -3.10 119.26 121.65 2kbz h ALA 118 Ca 0.90 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.78 2kbz h ALA 118 Cb 3.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 20.83 2kbz h ALA 118 CO -0.27 0.28 -0.18 2.41 0.00 0.00 0.00 179.25 181.49 2kbz n THR 119 N -4.47 0.00 0.00 0.00 -1.04 -0.88 -4.77 114.28 103.13 2kbz n THR 119 Ca 0.04 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2kbz n THR 119 Cb 0.07 -0.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 2kbz n THR 119 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2kbz n GLU 120 N -1.12 0.00 0.00 -2.82 -0.58 -1.17 -5.11 120.64 109.84 2kbz n GLU 120 Ca 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 2kbz n GLU 120 Cb 0.31 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.18 2kbz n GLU 120 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2kbz n ILE 121 N 0.00 0.00 -1.82 -3.67 -6.64 -1.26 -4.94 119.36 101.03 2kbz n ILE 121 Ca 0.00 0.00 -0.36 0.00 -1.77 0.00 0.00 62.75 60.62 2kbz n ILE 121 Cb 0.00 0.00 0.06 0.00 -1.44 0.00 0.00 39.64 38.26 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 0.00 2.69 0.42 6.28 0.04 -1.26 -4.70 135.00 138.47 2kbz s PRO 122 Ca 0.00 1.87 0.24 0.00 0.04 0.00 0.00 61.00 63.15 2kbz s PRO 122 Cb 0.00 -1.89 1.27 0.00 0.04 0.00 0.00 34.50 33.92 2kbz s PRO 122 CO 0.00 -1.44 1.71 1.03 0.04 0.00 0.00 177.00 178.34 2kbz h SER 123 N 0.53 0.33 0.00 6.66 0.87 -1.99 0.44 113.55 120.40 2kbz h SER 123 Ca -0.50 0.10 -0.10 0.00 -1.23 0.00 0.00 61.79 60.06 2kbz h SER 123 Cb 1.31 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 63.31 2kbz h SER 123 CO 0.53 -0.03 -0.60 0.74 -0.53 0.00 0.00 176.83 176.94 2kbz h THR 124 N 0.24 1.13 -0.59 2.23 2.02 -2.01 -3.37 112.91 112.57 2kbz h THR 124 Ca 0.69 -2.07 -0.07 0.00 0.77 0.00 0.00 66.41 65.73 2kbz h THR 124 Cb 2.00 2.36 -0.03 0.00 -1.74 0.00 0.00 68.15 70.75 2kbz h THR 124 CO -0.33 0.38 0.11 0.40 0.37 0.00 0.00 175.52 176.45 2kbz h ILE 125 N -1.00 1.25 -0.06 3.11 5.03 -1.85 -2.02 117.51 121.97 2kbz h ILE 125 Ca -0.16 -0.94 0.02 0.00 -0.12 0.00 0.00 64.86 63.66 2kbz h ILE 125 Cb 1.02 0.68 -0.00 0.00 -3.03 0.00 0.00 36.82 35.49 2kbz h ILE 125 CO -0.09 0.35 0.06 0.25 -0.68 0.00 0.00 178.15 178.03 2kbz h LEU 126 N 0.89 0.00 -0.07 1.44 5.85 -1.13 0.60 115.31 122.89 2kbz h LEU 126 Ca 0.19 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.73 2kbz h LEU 126 Cb 0.38 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2kbz h LEU 126 CO 0.01 0.00 -0.85 0.50 -0.34 0.00 0.00 178.44 177.75 2kbz h LYS 127 N 0.00 0.00 0.00 1.25 3.64 -1.54 -3.06 116.57 116.86 2kbz h LYS 127 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2kbz h LYS 127 Cb 0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2kbz h LYS 127 CO -0.00 0.85 0.00 1.63 -2.27 0.00 0.00 179.45 179.66 2kbz n LYS 128 N -3.35 0.08 -0.36 1.90 4.76 0.07 -2.76 118.16 118.49 2kbz n LYS 128 Ca 0.00 0.38 0.04 0.00 -2.87 0.00 0.00 58.31 55.87 2kbz n LYS 128 Cb 0.87 -1.68 0.19 0.00 -1.84 0.00 0.00 35.03 32.57 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 0.99 0.00 -0.35 7.12 -1.08 -3.36 115.31 118.63 2kbz h LEU 129 Ca 0.00 0.02 -0.15 0.00 0.13 0.00 0.00 57.88 57.88 2kbz h LEU 129 Cb 0.23 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.16 2kbz h LEU 129 CO 0.00 0.59 -0.79 0.78 -0.13 0.00 0.00 178.44 178.90 2kbz h ASN 130 N 1.10 0.00 0.38 1.25 2.35 -1.73 -3.39 115.58 115.54 2kbz h ASN 130 Ca 0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.20 2kbz h ASN 130 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 2kbz h ASN 130 CO -0.21 0.67 0.00 -2.65 -1.65 0.00 0.00 177.43 173.60 2kbz n PRO 131 N -3.22 0.06 0.00 0.81 -0.02 -1.26 -4.77 135.00 126.60 2kbz n PRO 131 Ca -0.00 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2kbz n PRO 131 Cb 0.82 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 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 -1.44 0.00 -0.02 6.00 0.18 -1.26 -4.77 117.16 115.85 2kbz n TYR 132 Ca 0.04 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 59.81 2kbz n TYR 132 Cb 0.14 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.09 2kbz n TYR 132 CO 0.00 0.00 0.00 0.07 -2.08 0.00 0.00 176.86 174.85 2kbz h ARG 133 N 0.00 0.00 -1.91 -3.48 0.11 -1.95 -3.42 114.38 103.73 2kbz h ARG 133 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 2kbz h ARG 133 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 2kbz h ARG 133 CO 0.00 0.00 0.04 1.63 0.10 0.00 0.00 179.97 181.74 2kbz n LYS 134 N -2.99 1.09 -0.11 0.08 4.76 -1.26 -3.76 118.16 115.97 2kbz n LYS 134 Ca -0.01 -0.17 -0.24 0.00 -2.87 0.00 0.00 58.31 55.02 2kbz n LYS 134 Cb 0.05 -1.07 -0.11 0.00 -1.84 0.00 0.00 35.03 32.06 2kbz n LYS 134 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 2kbz n MET 135 N 1.33 0.58 -0.73 1.97 0.00 -1.26 -4.90 117.12 114.10 2kbz n MET 135 Ca 0.03 0.50 0.00 0.00 -0.00 0.00 0.00 57.70 58.23 2kbz n MET 135 Cb 0.51 -1.69 0.00 0.00 0.00 0.00 0.00 33.22 32.04 2kbz n MET 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kbz n ALA 136 N -3.58 0.00 0.76 -5.12 0.00 -1.25 -5.13 120.51 106.19 2kbz n ALA 136 Ca -0.37 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.16 2kbz n ALA 136 Cb 0.74 -0.16 0.08 0.00 0.00 0.00 0.00 19.45 20.11 2kbz n ALA 136 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37