#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 -0.01 -1.09 1.74 -1.26 -4.49 116.66 111.54 2kbz n ARG 40 Ca 0.00 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.11 2kbz n ARG 40 Cb 0.00 0.00 0.39 0.00 -1.02 0.00 0.00 32.46 31.83 2kbz n ARG 40 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 2kbz h VAL 41 N 0.00 1.13 0.00 1.55 -1.51 -2.07 -2.55 116.25 112.80 2kbz h VAL 41 Ca 0.00 -0.32 -0.02 0.00 -1.23 0.00 0.00 66.70 65.13 2kbz h VAL 41 Cb 0.00 0.56 -0.00 0.00 -2.13 0.00 0.00 31.29 29.72 2kbz h VAL 41 CO 0.00 0.14 -0.11 0.07 -1.23 0.00 0.00 177.57 176.44 2kbz h LYS 42 N 0.57 0.00 0.00 5.19 5.09 -2.00 -3.17 116.57 122.25 2kbz h LYS 42 Ca 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.85 2kbz h LYS 42 Cb 0.01 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.33 2kbz h LYS 42 CO -0.03 0.11 -0.19 -0.09 -2.09 0.00 0.00 179.45 177.16 2kbz h ARG 43 N 0.00 0.00 -0.18 0.07 2.43 -1.83 -0.83 114.38 114.03 2kbz h ARG 43 Ca -0.00 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 2kbz h ARG 43 Cb 0.22 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2kbz h ARG 43 CO 0.01 0.19 -0.60 -0.07 -1.51 0.00 0.00 179.97 177.99 2kbz h LEU 44 N 0.00 0.69 -1.72 3.80 4.07 -1.72 -3.22 115.31 117.21 2kbz h LEU 44 Ca -0.00 -0.39 0.00 0.00 0.08 0.00 0.00 57.88 57.57 2kbz h LEU 44 Cb 0.46 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.00 2kbz h LEU 44 CO 0.03 1.13 -0.08 0.00 -1.08 0.00 0.00 178.44 178.44 2kbz n LEU 45 N -3.94 2.71 0.14 1.67 -0.00 -1.18 -4.38 117.00 112.02 2kbz n LEU 45 Ca -0.04 -0.96 0.10 0.00 -0.00 0.00 0.00 56.01 55.11 2kbz n LEU 45 Cb 0.64 0.00 0.52 0.00 -0.00 0.00 0.00 43.42 44.58 2kbz n LEU 45 CO 0.48 0.46 0.80 -1.54 -0.00 0.00 0.00 177.39 177.60 2kbz n SER 46 N 1.04 0.51 0.00 1.45 3.41 -0.33 -2.69 113.62 117.02 2kbz n SER 46 Ca 0.12 0.72 0.00 0.00 -0.26 0.00 0.00 58.87 59.45 2kbz n SER 46 Cb 0.54 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 2kbz n SER 46 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2kbz n ILE 47 N -2.17 0.00 -3.07 -1.33 -5.35 -1.26 -4.15 119.36 102.02 2kbz n ILE 47 Ca -0.01 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.24 2kbz n ILE 47 Cb 0.06 -0.34 -0.04 0.00 -1.74 0.00 0.00 39.64 37.58 2kbz n ILE 47 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 2kbz n THR 48 N -1.52 1.70 0.00 7.28 5.66 -1.09 -1.30 114.28 125.01 2kbz n THR 48 Ca 0.00 -5.14 0.00 0.00 -3.05 0.00 0.00 64.05 55.86 2kbz n THR 48 Cb 0.25 -1.06 0.00 0.00 -1.55 0.00 0.00 70.33 67.96 2kbz n THR 48 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2kbz n ASN 49 N 0.09 0.00 -2.36 1.09 5.15 -1.10 -4.80 115.26 113.33 2kbz n ASN 49 Ca 0.28 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 2kbz n ASN 49 Cb 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.74 2kbz n ASN 49 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2kbz n ASP 50 N 0.00 0.00 0.02 1.20 8.00 -1.20 -5.02 116.55 119.55 2kbz n ASP 50 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 2kbz n ASP 50 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 2kbz n ASP 50 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 2kbz h LYS 51 N 0.00 0.14 0.00 -1.24 2.10 -1.89 -3.38 116.57 112.30 2kbz h LYS 51 Ca 0.00 -0.24 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 2kbz h LYS 51 Cb 0.00 0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 2kbz h LYS 51 CO 0.00 0.91 0.00 0.72 -2.00 0.00 0.00 179.45 179.08 2kbz n HIS 52 N -3.31 0.00 0.15 0.07 8.25 -1.26 -3.11 115.22 116.02 2kbz n HIS 52 Ca -0.17 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.29 2kbz n HIS 52 Cb 1.04 0.00 0.30 0.00 1.12 0.00 0.00 29.99 32.45 2kbz n HIS 52 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 2kbz h ASP 53 N 0.00 0.07 0.04 0.41 2.03 -1.37 0.49 116.42 118.09 2kbz h ASP 53 Ca 0.00 -0.03 -0.00 0.00 -0.73 0.00 0.00 57.03 56.27 2kbz h ASP 53 Cb 0.00 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.48 2kbz h ASP 53 CO 0.00 0.47 -0.02 -0.08 -1.03 0.00 0.00 179.24 178.58 2kbz h GLU 54 N 0.06 -0.05 -0.04 4.15 4.57 -1.82 -3.20 114.58 118.24 2kbz h GLU 54 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 2kbz h GLU 54 Cb 0.75 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.35 2kbz h GLU 54 CO 0.06 0.55 -0.01 -0.92 -1.18 0.00 0.00 179.01 177.50 2kbz h TYR 55 N -0.73 0.10 0.07 0.92 3.20 -1.70 -2.36 116.97 116.47 2kbz h TYR 55 Ca -0.01 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 2kbz h TYR 55 Cb 0.63 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.88 2kbz h TYR 55 CO 0.14 0.44 -0.03 1.37 -1.64 0.00 0.00 178.16 178.43 2kbz h LEU 56 N -0.27 -0.07 -1.62 2.82 -0.00 -0.22 -3.31 115.31 112.64 2kbz h LEU 56 Ca 0.01 -0.49 0.22 0.00 -0.00 0.00 0.00 57.88 57.62 2kbz h LEU 56 Cb 0.40 0.02 -0.06 0.00 -0.00 0.00 0.00 40.66 41.02 2kbz h LEU 56 CO 0.00 0.48 0.61 0.74 -0.00 0.00 0.00 178.44 180.27 2kbz h THR 57 N -0.66 0.64 -0.15 0.15 2.02 -1.71 -2.88 112.91 110.31 2kbz h THR 57 Ca -0.01 -0.10 -0.11 0.00 0.77 0.00 0.00 66.41 66.96 2kbz h THR 57 Cb 0.56 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2kbz h THR 57 CO 0.01 0.06 -0.38 -0.33 0.37 0.00 0.00 175.52 175.25 2kbz h GLU 58 N 0.30 0.33 -0.76 6.66 4.39 -1.50 -3.28 114.58 120.72 2kbz h GLU 58 Ca 0.46 -0.15 0.17 0.00 0.34 0.00 0.00 59.36 60.18 2kbz h GLU 58 Cb 1.31 -0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 29.84 2kbz h GLU 58 CO -0.14 0.67 0.21 0.52 -1.16 0.00 0.00 179.01 179.10 2kbz h MET 59 N 0.28 0.28 0.35 2.33 2.86 -1.60 -2.93 114.93 116.50 2kbz h MET 59 Ca 0.03 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 2kbz h MET 59 Cb 0.80 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.40 2kbz h MET 59 CO 0.06 0.19 -0.17 0.28 1.06 0.00 0.00 176.91 178.33 2kbz h VAL 60 N 0.29 0.12 0.00 -2.22 2.07 -1.67 -2.92 116.25 111.91 2kbz h VAL 60 Ca 0.43 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2kbz h VAL 60 Cb 0.75 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2kbz h VAL 60 CO -0.51 0.03 0.12 -0.65 0.02 0.00 0.00 177.57 176.58 2kbz h PRO 61 N -1.10 0.00 -0.12 1.57 0.11 -1.64 0.33 132.00 131.15 2kbz h PRO 61 Ca -0.05 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.07 2kbz h PRO 61 Cb 0.41 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 2kbz h PRO 61 CO 0.08 0.00 0.06 -0.07 -0.21 0.00 0.00 178.00 177.85 2kbz h LEU 62 N 0.00 0.09 0.26 2.35 3.38 -1.53 -0.19 115.31 119.66 2kbz h LEU 62 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2kbz h LEU 62 Cb 0.24 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2kbz h LEU 62 CO 0.00 0.07 -0.12 0.25 0.09 0.00 0.00 178.44 178.72 2kbz h LEU 63 N 0.13 -0.29 -1.41 1.67 5.85 -0.84 -2.89 115.31 117.51 2kbz h LEU 63 Ca 0.05 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 2kbz h LEU 63 Cb 0.01 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2kbz h LEU 63 CO -0.03 0.08 -0.08 0.58 -0.34 0.00 0.00 178.44 178.64 2kbz h VAL 64 N -0.71 1.17 0.03 1.05 2.07 -0.53 0.91 116.25 120.23 2kbz h VAL 64 Ca -0.04 -0.72 -0.15 0.00 0.82 0.00 0.00 66.70 66.62 2kbz h VAL 64 Cb 0.48 1.13 0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2kbz h VAL 64 CO 0.06 0.23 -0.60 -0.08 0.02 0.00 0.00 177.57 177.20 2kbz h GLU 65 N 0.27 0.35 0.18 1.57 4.81 -1.16 -1.31 114.58 119.30 2kbz h GLU 65 Ca 0.06 -0.42 0.01 0.00 -0.13 0.00 0.00 59.36 58.88 2kbz h GLU 65 Cb 0.33 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 2kbz h GLU 65 CO 0.02 1.11 -0.30 0.35 -0.73 0.00 0.00 179.01 179.46 2kbz h PHE 66 N -0.22 -0.81 -0.18 0.92 3.04 -1.29 -2.68 116.94 115.73 2kbz h PHE 66 Ca -0.08 0.01 -0.12 0.00 3.98 0.00 0.00 57.97 61.77 2kbz h PHE 66 Cb 1.34 0.33 0.00 0.00 2.56 0.00 0.00 35.95 40.18 2kbz h PHE 66 CO 0.16 -0.41 -0.34 0.00 -2.02 0.00 0.00 178.31 175.70 2kbz h ALA 67 N 0.10 0.28 0.00 2.41 0.00 -0.98 -3.32 119.26 117.75 2kbz h ALA 67 Ca 0.02 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 2kbz h ALA 67 Cb 0.55 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2kbz h ALA 67 CO -0.14 0.34 -0.17 -0.22 0.00 0.00 0.00 179.25 179.06 2kbz h LYS 68 N 0.20 0.00 -0.18 0.00 1.63 -1.32 -3.25 116.57 113.64 2kbz h LYS 68 Ca 0.01 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.86 2kbz h LYS 68 Cb 0.93 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.55 2kbz h LYS 68 CO 0.08 0.17 0.32 0.22 -3.45 0.00 0.00 179.45 176.79 2kbz h ASP 69 N 0.00 0.00 0.36 4.20 3.58 -1.57 -1.54 116.42 121.44 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 0.90 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.95 2kbz h ASP 69 CO 0.02 0.00 0.00 1.05 -2.88 0.00 0.00 179.24 177.43 2kbz h GLU 70 N 0.00 0.00 -0.41 0.28 -0.00 -1.77 -3.35 114.58 109.33 2kbz h GLU 70 Ca 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.43 2kbz h GLU 70 Cb 0.73 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.47 2kbz h GLU 70 CO -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 179.01 179.02 2kbz n HIS 72 N -0.06 0.00 -2.94 0.00 8.25 -1.26 -4.90 115.22 114.31 2kbz n HIS 72 Ca 0.25 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.32 2kbz n HIS 72 Cb 1.05 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 32.10 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 7.36 0.28 0.41 6.03 -1.26 -5.01 114.94 122.74 2kbz s ASN 73 Ca 0.00 1.61 0.21 0.00 -1.03 0.00 0.00 52.86 53.66 2kbz s ASN 73 Cb 0.00 -2.50 0.11 0.00 -3.03 0.00 0.00 41.25 35.82 2kbz s ASN 73 CO 0.00 0.12 1.25 1.55 -2.03 0.00 0.00 177.10 177.99 2kbz h PRO 74 N 4.88 0.00 -7.04 3.55 0.13 -1.92 -3.41 132.00 128.19 2kbz h PRO 74 Ca -0.45 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.08 2kbz h PRO 74 Cb 1.21 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.97 2kbz h PRO 74 CO 0.68 0.08 -0.86 1.97 -0.23 0.00 0.00 178.00 179.64 2kbz n PHE 75 N -2.90 -1.15 -4.43 1.56 1.16 -1.26 -4.95 117.46 105.48 2kbz n PHE 75 Ca 0.00 0.65 -0.30 0.00 -1.87 0.00 0.00 57.45 55.94 2kbz n PHE 75 Cb 0.59 -1.79 -0.12 0.00 -1.61 0.00 0.00 39.48 36.55 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 -3.16 2.60 0.43 1.97 1.01 -1.26 -0.26 121.20 122.54 2kbz s ILE 76 Ca 0.80 -1.53 0.05 0.00 0.00 0.00 0.00 60.65 59.97 2kbz s ILE 76 Cb -0.46 -2.16 0.05 0.00 0.01 0.00 0.00 42.46 39.90 2kbz s ILE 76 CO 0.98 0.15 0.44 -0.90 0.00 0.00 0.00 174.94 175.60 2kbz n ASP 77 N 1.02 2.07 0.25 3.58 5.68 0.12 -4.82 116.55 124.46 2kbz n ASP 77 Ca -0.16 -2.36 0.17 0.00 -0.50 0.00 0.00 54.79 51.94 2kbz n ASP 77 Cb 0.53 -0.15 0.86 0.00 -1.14 0.00 0.00 41.12 41.22 2kbz n ASP 77 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2kbz h LYS 78 N 0.00 0.00 -0.02 0.11 1.63 -2.02 -1.61 116.57 114.67 2kbz h LYS 78 Ca -0.25 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 2kbz h LYS 78 Cb 0.98 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.61 2kbz h LYS 78 CO 0.37 0.00 -0.37 -3.47 -3.45 0.00 0.00 179.45 172.54 2kbz n ASP 79 N -2.71 2.10 -0.62 4.20 2.03 -1.26 -4.98 116.55 115.31 2kbz n ASP 79 Ca -0.01 -1.55 -0.04 0.00 0.52 0.00 0.00 54.79 53.71 2kbz n ASP 79 Cb 0.11 0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 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 0.37 3.90 0.27 0.00 -0.60 -5.08 105.19 105.38 2kbz n GLY 80 Ca 0.09 -0.66 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.91 5.33 0.26 1.61 0.02 -1.26 -4.84 114.94 113.15 2kbz s ASN 81 Ca 0.03 -0.54 -0.30 0.00 -1.02 0.00 0.00 52.86 51.04 2kbz s ASN 81 Cb -0.01 -0.82 -0.10 0.00 0.02 0.00 0.00 41.25 40.34 2kbz s ASN 81 CO 0.04 -0.52 1.31 -0.70 0.02 0.00 0.00 177.10 177.25 2kbz s GLU 82 N -4.11 4.38 -0.32 -0.60 2.56 -1.26 -0.70 118.70 118.65 2kbz s GLU 82 Ca 0.46 2.12 -0.02 0.00 0.00 0.00 0.00 54.97 57.53 2kbz s GLU 82 Cb -0.06 -3.14 0.11 0.00 2.00 0.00 0.00 34.13 33.04 2kbz s GLU 82 CO 0.28 -0.21 0.14 0.45 -0.56 0.00 0.00 175.26 175.36 2kbz s SER 83 N -0.03 3.61 -0.07 -1.70 0.15 0.64 -4.80 113.70 111.50 2kbz s SER 83 Ca 0.53 -1.66 0.04 0.00 0.70 0.00 0.00 55.95 55.57 2kbz s SER 83 Cb -0.38 -0.58 -0.01 0.00 -1.71 0.00 0.00 66.02 63.34 2kbz s SER 83 CO 0.44 -0.40 -0.21 0.27 1.20 0.00 0.00 173.24 174.54 2kbz s ILE 84 N 1.63 2.40 0.21 6.45 -4.36 -1.26 -4.55 121.20 121.72 2kbz s ILE 84 Ca 0.11 -0.94 -0.03 0.00 -0.26 0.00 0.00 60.65 59.53 2kbz s ILE 84 Cb -0.18 -1.91 0.05 0.00 1.25 0.00 0.00 42.46 41.66 2kbz s ILE 84 CO -0.24 0.56 0.25 -0.81 0.24 0.00 0.00 174.94 174.95 2kbz n PRO 85 N 2.99 -0.55 -0.32 0.37 -0.04 -1.26 -4.79 135.00 131.40 2kbz n PRO 85 Ca -0.18 -0.39 0.15 0.00 -0.04 0.00 0.00 63.50 63.04 2kbz n PRO 85 Cb 0.52 -0.28 0.33 0.00 -0.04 0.00 0.00 33.50 34.03 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 -0.60 0.45 -0.04 3.54 0.02 -1.98 -2.31 113.55 112.63 2kbz h SER 86 Ca -0.08 0.15 -0.21 0.00 -0.84 0.00 0.00 61.79 60.80 2kbz h SER 86 Cb 0.24 0.10 0.02 0.00 0.14 0.00 0.00 62.40 62.89 2kbz h SER 86 CO 0.06 0.04 -0.81 1.23 -1.14 0.00 0.00 176.83 176.21 2kbz h GLY 87 N 0.46 0.68 2.00 -3.77 0.00 -1.95 -2.56 103.07 97.94 2kbz h GLY 87 Ca 0.59 -1.12 -0.06 0.00 0.00 0.00 0.00 47.33 46.73 2kbz h GLY 87 CO -0.51 1.00 -0.27 -0.39 0.00 0.00 0.00 176.54 176.36 2kbz h VAL 88 N 0.24 0.59 -0.23 4.60 -1.51 -1.82 -2.85 116.25 115.27 2kbz h VAL 88 Ca -0.09 -1.37 -0.11 0.00 -1.23 0.00 0.00 66.70 63.90 2kbz h VAL 88 Cb 1.47 1.94 -0.00 0.00 -2.13 0.00 0.00 31.29 32.57 2kbz h VAL 88 CO 0.16 0.27 -0.29 0.25 -1.23 0.00 0.00 177.57 176.73 2kbz h LEU 89 N 0.00 0.66 -1.49 4.19 5.85 -1.47 -1.59 115.31 121.46 2kbz h LEU 89 Ca -0.00 -0.50 -0.05 0.00 0.84 0.00 0.00 57.88 58.16 2kbz h LEU 89 Cb 0.92 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2kbz h LEU 89 CO 0.04 1.03 -0.26 0.16 -0.34 0.00 0.00 178.44 179.06 2kbz h ILE 90 N 0.30 1.15 0.27 4.05 3.07 -1.41 -2.76 117.51 122.19 2kbz h ILE 90 Ca 0.03 -0.90 -0.01 0.00 1.55 0.00 0.00 64.86 65.53 2kbz h ILE 90 Cb 0.87 1.49 0.00 0.00 -0.27 0.00 0.00 36.82 38.91 2kbz h ILE 90 CO 0.07 0.25 -0.13 0.15 -1.05 0.00 0.00 178.15 177.44 2kbz h PHE 91 N 0.00 -0.33 0.23 0.16 3.57 -1.43 -2.85 116.94 116.30 2kbz h PHE 91 Ca -0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2kbz h PHE 91 Cb 0.47 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 2kbz h PHE 91 CO 0.00 0.01 -0.45 -0.39 -2.23 0.00 0.00 178.31 175.25 2kbz h VAL 92 N -0.73 0.11 0.09 1.41 -1.51 -1.01 -0.30 116.25 114.31 2kbz h VAL 92 Ca -0.04 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.45 2kbz h VAL 92 Cb 0.49 0.11 -0.03 0.00 -2.13 0.00 0.00 31.29 29.73 2kbz h VAL 92 CO 0.06 0.00 -0.20 0.00 -1.23 0.00 0.00 177.57 176.20 2kbz h ALA 93 N -0.40 -0.33 0.00 5.19 0.00 -1.70 -2.91 119.26 119.11 2kbz h ALA 93 Ca -0.01 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 2kbz h ALA 93 Cb 0.74 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2kbz h ALA 93 CO -0.19 -0.73 -0.67 0.87 0.00 0.00 0.00 179.25 178.53 2kbz h LYS 94 N -0.38 0.00 0.02 0.00 1.79 -1.49 -2.68 116.57 113.84 2kbz h LYS 94 Ca 0.03 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2kbz h LYS 94 Cb 0.41 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2kbz h LYS 94 CO -0.13 0.67 -0.01 0.00 -1.08 0.00 0.00 179.45 178.90 2kbz h ALA 95 N 1.33 -0.03 0.00 3.86 0.00 -1.10 -2.24 119.26 121.09 2kbz h ALA 95 Ca -0.01 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 2kbz h ALA 95 Cb 1.28 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2kbz h ALA 95 CO 0.09 -0.40 -1.00 0.00 0.00 0.00 0.00 179.25 177.93 2kbz h ALA 96 N 0.72 0.36 -0.55 0.00 0.00 -1.62 -2.79 119.26 115.38 2kbz h ALA 96 Ca -0.00 -0.91 0.06 0.00 0.00 0.00 0.00 54.91 54.06 2kbz h ALA 96 Cb 0.25 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2kbz h ALA 96 CO 0.00 1.25 0.37 0.37 0.00 0.00 0.00 179.25 181.24 2kbz h GLN 97 N 0.00 0.49 0.19 0.00 4.15 -1.55 -0.34 115.11 118.06 2kbz h GLN 97 Ca -0.01 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 2kbz h GLN 97 Cb 1.77 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 29.35 2kbz h GLN 97 CO 0.13 0.33 -0.09 0.35 -1.93 0.00 0.00 178.83 177.61 2kbz h PHE 98 N 0.51 -0.24 -0.15 3.99 3.04 -1.42 -3.34 116.94 119.33 2kbz h PHE 98 Ca 0.24 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.11 2kbz h PHE 98 Cb 0.29 0.08 -0.00 0.00 2.56 0.00 0.00 35.95 38.88 2kbz h PHE 98 CO -0.00 0.17 -0.19 -0.92 -2.02 0.00 0.00 178.31 175.35 2kbz h TYR 99 N -0.87 0.47 0.00 0.41 3.20 -1.17 -2.00 116.97 117.00 2kbz h TYR 99 Ca -0.03 -0.15 -0.07 0.00 3.14 0.00 0.00 58.73 61.62 2kbz h TYR 99 Cb 0.51 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 2kbz h TYR 99 CO 0.07 0.80 -0.34 0.00 -1.64 0.00 0.00 178.16 177.05 2kbz h MET 100 N 0.00 0.00 0.00 1.82 -0.00 -1.30 -3.34 114.93 112.12 2kbz h MET 100 Ca 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.67 2kbz h MET 100 Cb 0.74 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.33 2kbz h MET 100 CO 0.04 0.34 -0.55 1.79 -0.00 0.00 0.00 176.91 178.54 2kbz h THR 101 N 0.00 0.32 0.00 -0.10 1.35 -1.69 -3.37 112.91 109.42 2kbz h THR 101 Ca -0.00 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.51 2kbz h THR 101 Cb 0.94 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 2kbz h THR 101 CO 0.04 0.11 0.00 -3.20 -0.25 0.00 0.00 175.52 172.22 2kbz n ASN 102 N -4.61 0.00 -0.09 5.36 5.15 -0.75 -2.04 115.26 118.28 2kbz n ASN 102 Ca -0.12 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.74 2kbz n ASN 102 Cb 0.32 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.48 2kbz n ASN 102 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kbz n ALA 103 N 0.00 1.60 -0.45 5.20 0.00 -1.26 -5.07 120.51 120.53 2kbz n ALA 103 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2kbz n ALA 103 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 2.55 0.73 0.88 0.00 0.00 -0.87 -4.97 105.19 103.52 2kbz n GLY 104 Ca -0.32 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.24 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 0.68 -1.92 0.99 -0.00 -1.26 -4.77 117.00 110.72 2kbz n LEU 105 Ca 0.00 0.10 -0.22 0.00 -0.00 0.00 0.00 56.01 55.89 2kbz n LEU 105 Cb 0.00 -0.24 0.12 0.00 -0.00 0.00 0.00 43.42 43.30 2kbz n LEU 105 CO 0.00 -0.22 0.92 1.07 -0.00 0.00 0.00 177.39 179.17 2kbz n THR 106 N -3.37 3.01 0.68 1.47 5.66 -1.26 -4.54 114.28 115.93 2kbz n THR 106 Ca -0.06 -3.03 0.12 0.00 -3.05 0.00 0.00 64.05 58.03 2kbz n THR 106 Cb 0.37 -0.81 0.22 0.00 -1.55 0.00 0.00 70.33 68.56 2kbz n THR 106 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kbz n GLY 107 N -0.97 1.27 0.00 1.09 0.00 -1.26 -4.87 105.19 100.45 2kbz n GLY 107 Ca 0.50 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2kbz n GLY 107 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kbz n ARG 108 N 1.25 3.60 -3.27 1.61 -4.01 -1.26 -4.75 116.66 109.83 2kbz n ARG 108 Ca 0.17 0.00 -0.40 0.00 -1.04 0.00 0.00 57.85 56.58 2kbz n ARG 108 Cb 0.56 0.00 -0.08 0.00 -3.04 0.00 0.00 32.46 29.90 2kbz n ARG 108 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 2kbz s SER 109 N -0.82 6.36 0.04 2.89 1.04 -1.26 -4.97 113.70 116.98 2kbz s SER 109 Ca 0.00 0.34 0.18 0.00 0.48 0.00 0.00 55.95 56.95 2kbz s SER 109 Cb 0.00 -2.26 0.77 0.00 0.10 0.00 0.00 66.02 64.63 2kbz s SER 109 CO 0.00 -0.31 1.58 0.23 0.98 0.00 0.00 173.24 175.72 2kbz n MET 110 N 5.54 0.03 0.00 4.02 0.00 -1.26 -5.02 117.12 120.44 2kbz n MET 110 Ca -0.05 0.23 0.00 0.00 0.00 0.00 0.00 57.70 57.88 2kbz n MET 110 Cb 0.50 -1.56 0.00 0.00 0.00 0.00 0.00 33.22 32.16 2kbz n MET 110 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2kbz n ASP 111 N -1.62 0.00 -3.68 7.83 8.00 -1.26 -4.56 116.55 121.26 2kbz n ASP 111 Ca 0.04 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.12 2kbz n ASP 111 Cb 0.21 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.31 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 0.00 3.80 0.19 -3.53 -2.24 -1.26 -4.56 114.28 106.68 2kbz n THR 112 Ca 0.00 -3.23 0.10 0.00 -2.27 0.00 0.00 64.05 58.65 2kbz n THR 112 Cb 0.00 -2.55 0.19 0.00 -2.10 0.00 0.00 70.33 65.87 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 4.44 0.56 -2.96 2.28 3.14 -1.26 -4.94 118.33 119.59 2kbz n VAL 113 Ca 0.54 -0.78 -0.18 0.00 -2.96 0.00 0.00 64.34 60.97 2kbz n VAL 113 Cb 0.36 0.90 0.04 0.00 -1.06 0.00 0.00 33.84 34.07 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 1.24 -5.16 -0.45 6.55 7.64 -1.26 -4.36 113.62 117.82 2kbz n SER 114 Ca 0.17 -0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.78 2kbz n SER 114 Cb 0.54 -3.95 0.00 0.00 -1.01 0.00 0.00 64.21 59.79 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 -4.28 0.00 0.00 1.43 4.01 -1.26 -4.84 117.16 112.23 2kbz n TYR 115 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 2kbz n TYR 115 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 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 0.24 0.00 0.19 7.72 2.04 -1.26 -4.68 115.26 119.50 2kbz n ASN 116 Ca 0.00 0.00 0.13 0.00 -0.44 0.00 0.00 54.58 54.27 2kbz n ASN 116 Cb 0.00 0.00 0.67 0.00 -2.53 0.00 0.00 39.78 37.92 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 0.64 0.00 0.00 -2.53 0.04 -1.88 0.54 116.94 113.75 2kbz h PHE 117 Ca 0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 2kbz h PHE 117 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 2kbz h PHE 117 CO 0.00 0.00 -0.18 0.00 -0.60 0.00 0.00 178.31 177.53 2kbz h ALA 118 N 2.02 1.43 0.00 2.45 0.00 -1.94 -3.10 119.26 120.12 2kbz h ALA 118 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2kbz h ALA 118 Cb 0.04 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 2kbz h ALA 118 CO 0.00 0.22 -0.50 -2.37 0.00 0.00 0.00 179.25 176.60 2kbz n THR 119 N -3.92 0.62 -4.34 0.00 5.66 0.08 -5.09 114.28 107.28 2kbz n THR 119 Ca -0.02 -1.00 -0.19 0.00 -3.05 0.00 0.00 64.05 59.79 2kbz n THR 119 Cb 0.26 0.37 -0.09 0.00 -1.55 0.00 0.00 70.33 69.33 2kbz n THR 119 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2kbz s GLU 120 N -0.93 1.61 0.10 1.09 2.12 -0.58 -5.08 118.70 117.03 2kbz s GLU 120 Ca 0.17 -1.92 0.00 0.00 0.36 0.00 0.00 54.97 53.59 2kbz s GLU 120 Cb 0.18 -0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.47 2kbz s GLU 120 CO -0.04 -0.46 0.00 0.44 -0.54 0.00 0.00 175.26 174.67 2kbz n ILE 121 N -0.59 -0.16 -2.17 -3.70 -6.64 -1.26 -4.79 119.36 100.04 2kbz n ILE 121 Ca 0.01 0.16 -0.41 0.00 -1.77 0.00 0.00 62.75 60.74 2kbz n ILE 121 Cb 0.65 -0.24 -0.03 0.00 -1.44 0.00 0.00 39.64 38.58 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 -3.24 4.37 0.00 6.28 0.04 -1.26 -4.95 135.00 136.24 2kbz s PRO 122 Ca 0.00 2.11 0.16 0.00 0.04 0.00 0.00 61.00 63.31 2kbz s PRO 122 Cb 0.00 -3.16 0.74 0.00 0.04 0.00 0.00 34.50 32.11 2kbz s PRO 122 CO 0.00 -0.26 1.49 0.45 0.04 0.00 0.00 177.00 178.71 2kbz n SER 123 N 2.32 0.00 -0.03 6.66 2.88 -1.26 -2.39 113.62 121.80 2kbz n SER 123 Ca 0.05 0.30 -0.08 0.00 -1.33 0.00 0.00 58.87 57.81 2kbz n SER 123 Cb 0.42 -0.40 -0.07 0.00 -0.75 0.00 0.00 64.21 63.41 2kbz n SER 123 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2kbz h THR 124 N 0.00 0.89 0.00 2.46 2.02 -2.03 -3.37 112.91 112.88 2kbz h THR 124 Ca 0.00 -1.55 -0.08 0.00 0.77 0.00 0.00 66.41 65.54 2kbz h THR 124 Cb 0.22 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2kbz h THR 124 CO 0.00 0.29 -0.38 0.40 0.37 0.00 0.00 175.52 176.19 2kbz h ILE 125 N -0.97 1.03 -0.56 3.11 1.08 -1.95 -3.16 117.51 116.09 2kbz h ILE 125 Ca -0.01 -1.44 0.16 0.00 -0.39 0.00 0.00 64.86 63.18 2kbz h ILE 125 Cb 0.51 1.84 -0.02 0.00 -3.07 0.00 0.00 36.82 36.08 2kbz h ILE 125 CO 0.01 0.38 0.58 0.25 -0.69 0.00 0.00 178.15 178.68 2kbz h LEU 126 N 0.00 0.00 -0.46 1.44 5.85 -1.62 0.31 115.31 120.82 2kbz h LEU 126 Ca -0.00 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 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 -0.59 0.11 -0.34 0.00 0.00 178.44 177.67 2kbz h LYS 127 N 0.00 0.57 0.00 1.25 1.57 -1.72 -3.13 116.57 115.12 2kbz h LYS 127 Ca 0.27 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2kbz h LYS 127 Cb 1.42 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.79 2kbz h LYS 127 CO -0.00 1.00 0.00 1.63 -0.57 0.00 0.00 179.45 181.50 2kbz n LYS 128 N -3.94 0.17 0.16 3.15 4.76 0.10 -2.52 118.16 120.05 2kbz n LYS 128 Ca -0.04 0.43 0.18 0.00 -2.87 0.00 0.00 58.31 56.01 2kbz n LYS 128 Cb 0.63 -1.85 0.79 0.00 -1.84 0.00 0.00 35.03 32.76 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 0.00 0.04 -0.35 7.12 -1.39 -3.34 115.31 117.39 2kbz h LEU 129 Ca 0.00 0.00 -0.34 0.00 0.13 0.00 0.00 57.88 57.67 2kbz h LEU 129 Cb 0.32 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 40.40 2kbz h LEU 129 CO 0.00 0.00 -2.04 0.59 -0.13 0.00 0.00 178.44 176.86 2kbz n ASN 130 N -3.89 1.24 0.07 1.25 3.02 -1.05 -4.82 115.26 111.09 2kbz n ASN 130 Ca 0.03 0.19 -0.05 0.00 -0.03 0.00 0.00 54.58 54.72 2kbz n ASN 130 Cb 0.40 -0.15 0.12 0.00 -0.61 0.00 0.00 39.78 39.54 2kbz n ASN 130 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2kbz h PRO 131 N 0.02 0.30 0.00 3.52 0.11 -1.74 -3.06 132.00 131.15 2kbz h PRO 131 Ca -0.42 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 65.49 2kbz h PRO 131 Cb 2.05 0.02 0.00 0.00 0.11 0.00 0.00 31.00 33.18 2kbz h PRO 131 CO 0.05 0.78 0.00 2.48 -0.21 0.00 0.00 178.00 181.10 2kbz n TYR 132 N -3.92 0.00 -0.01 0.65 4.11 -1.26 -3.45 117.16 113.28 2kbz n TYR 132 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.86 2kbz n TYR 132 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.92 2kbz n TYR 132 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 2kbz n ARG 133 N -0.24 0.16 0.04 -3.48 0.63 -1.26 -4.74 116.66 107.77 2kbz n ARG 133 Ca 0.00 0.02 0.10 0.00 -0.92 0.00 0.00 57.85 57.04 2kbz n ARG 133 Cb 0.00 -1.06 -0.08 0.00 0.45 0.00 0.00 32.46 31.77 2kbz n ARG 133 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2kbz n LYS 134 N -2.57 0.63 0.00 -0.14 3.00 -1.26 -5.00 118.16 112.82 2kbz n LYS 134 Ca -0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 2kbz n LYS 134 Cb 0.55 -1.69 0.00 0.00 0.00 0.00 0.00 35.03 33.90 2kbz n LYS 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2kbz n MET 135 N -2.52 0.00 0.00 1.64 2.81 -1.16 -4.80 117.12 113.10 2kbz n MET 135 Ca -0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 2kbz n MET 135 Cb 0.60 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.11 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 0.00 1.59 3.04 0.00 -1.26 -4.27 120.51 119.60 2kbz n ALA 136 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2kbz n ALA 136 Cb 0.00 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.05 2kbz n ALA 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04