#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 3.62 0.39 -1.09 1.81 -1.26 -4.96 118.95 117.46 2kbz s ARG 40 Ca 0.00 -2.40 0.12 0.00 -1.72 0.00 0.00 55.73 51.74 2kbz s ARG 40 Cb 0.00 -4.49 0.94 0.00 -0.45 0.00 0.00 34.95 30.94 2kbz s ARG 40 CO 0.00 -1.35 1.89 0.28 -0.68 0.00 0.00 175.30 175.44 2kbz h VAL 41 N 4.88 0.80 0.00 3.52 2.07 -2.07 -0.20 116.25 125.26 2kbz h VAL 41 Ca 0.12 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 2kbz h VAL 41 Cb 1.03 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2kbz h VAL 41 CO 0.80 0.10 -0.32 0.07 0.02 0.00 0.00 177.57 178.24 2kbz h LYS 42 N 0.55 0.00 0.00 1.57 2.10 -2.00 -3.23 116.57 115.56 2kbz h LYS 42 Ca 0.42 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 59.03 2kbz h LYS 42 Cb 0.82 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.14 2kbz h LYS 42 CO -0.17 0.32 -0.18 -0.09 -2.00 0.00 0.00 179.45 177.33 2kbz h ARG 43 N 0.00 0.00 0.00 0.07 2.43 -1.43 0.77 114.38 116.23 2kbz h ARG 43 Ca -0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 2kbz h ARG 43 Cb 0.67 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 2kbz h ARG 43 CO 0.04 0.18 -0.27 -0.07 -1.51 0.00 0.00 179.97 178.34 2kbz h LEU 44 N 0.00 0.00 0.00 3.80 3.38 -1.65 -3.15 115.31 117.68 2kbz h LEU 44 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kbz h LEU 44 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2kbz h LEU 44 CO 0.02 0.27 -0.66 0.00 0.09 0.00 0.00 178.44 178.17 2kbz n LEU 45 N -3.96 0.00 0.23 1.67 -0.00 -1.01 -4.13 117.00 109.80 2kbz n LEU 45 Ca -0.02 -0.05 0.14 0.00 -0.00 0.00 0.00 56.01 56.08 2kbz n LEU 45 Cb 0.34 0.00 0.33 0.00 -0.00 0.00 0.00 43.42 44.09 2kbz n LEU 45 CO 0.36 0.00 0.87 -1.28 -0.00 0.00 0.00 177.39 177.34 2kbz h SER 46 N 0.00 0.00 0.00 1.45 0.87 0.42 -2.83 113.55 113.46 2kbz h SER 46 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kbz h SER 46 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2kbz h SER 46 CO 0.00 0.00 -0.26 -0.38 -0.53 0.00 0.00 176.83 175.66 2kbz n ILE 47 N -3.07 0.42 -2.38 2.23 5.41 -1.22 -4.70 119.36 116.04 2kbz n ILE 47 Ca 0.03 0.14 -0.42 0.00 1.00 0.00 0.00 62.75 63.50 2kbz n ILE 47 Cb 0.46 -1.13 0.00 0.00 -0.71 0.00 0.00 39.64 38.26 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 -3.19 4.68 0.00 1.39 -1.04 -1.19 -2.10 114.28 112.82 2kbz n THR 48 Ca 0.00 -4.65 0.00 0.00 -2.04 0.00 0.00 64.05 57.36 2kbz n THR 48 Cb 0.13 -2.25 0.00 0.00 -1.82 0.00 0.00 70.33 66.39 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 3.04 0.00 -4.71 8.00 3.02 -1.26 -4.44 115.26 118.91 2kbz n ASN 49 Ca 0.41 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.62 2kbz n ASN 49 Cb 0.34 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.61 2kbz n ASN 49 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2kbz s ASP 50 N 0.00 3.93 0.65 6.41 1.01 -1.07 -4.85 116.67 122.75 2kbz s ASP 50 Ca 0.00 2.46 0.10 0.00 0.71 0.00 0.00 52.55 55.81 2kbz s ASP 50 Cb 0.00 -2.60 0.42 0.00 1.01 0.00 0.00 42.92 41.75 2kbz s ASP 50 CO 0.00 -2.45 1.19 0.07 0.21 0.00 0.00 175.17 174.20 2kbz h LYS 51 N -0.41 0.00 -0.02 8.23 2.10 -1.90 -1.84 116.57 122.72 2kbz h LYS 51 Ca -0.48 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.18 2kbz h LYS 51 Cb 1.31 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.64 2kbz h LYS 51 CO 0.48 0.00 0.03 1.25 -2.00 0.00 0.00 179.45 179.21 2kbz h HIS 52 N 0.00 0.00 -0.76 0.07 2.76 -1.88 -2.78 115.15 112.57 2kbz h HIS 52 Ca 0.11 0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.46 2kbz h HIS 52 Cb 2.02 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.93 2kbz h HIS 52 CO 0.00 0.00 0.52 0.22 -1.30 0.00 0.00 177.93 177.37 2kbz h ASP 53 N 0.00 0.26 0.02 3.26 3.58 -0.77 0.28 116.42 123.04 2kbz h ASP 53 Ca 0.01 0.02 -0.19 0.00 0.42 0.00 0.00 57.03 57.29 2kbz h ASP 53 Cb 0.07 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.09 2kbz h ASP 53 CO -0.00 0.12 -0.69 1.05 -2.88 0.00 0.00 179.24 176.85 2kbz h GLU 54 N 0.27 0.62 -0.17 0.28 4.11 -1.77 -0.70 114.58 117.22 2kbz h GLU 54 Ca 0.37 -0.46 -0.18 0.00 0.07 0.00 0.00 59.36 59.16 2kbz h GLU 54 Cb 1.07 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 2kbz h GLU 54 CO -0.09 1.09 -0.64 -0.92 0.07 0.00 0.00 179.01 178.51 2kbz h TYR 55 N 0.44 0.80 0.02 2.06 3.20 -1.34 -2.59 116.97 119.56 2kbz h TYR 55 Ca -0.02 -0.32 -0.00 0.00 3.14 0.00 0.00 58.73 61.53 2kbz h TYR 55 Cb 1.28 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.41 2kbz h TYR 55 CO 0.06 1.09 -0.01 1.37 -1.64 0.00 0.00 178.16 179.04 2kbz h LEU 56 N 0.45 -0.02 -0.95 2.82 -0.00 -0.55 -3.35 115.31 113.71 2kbz h LEU 56 Ca -0.01 -0.56 0.07 0.00 -0.00 0.00 0.00 57.88 57.38 2kbz h LEU 56 Cb 1.22 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.82 2kbz h LEU 56 CO 0.12 0.55 0.61 0.71 -0.00 0.00 0.00 178.44 180.44 2kbz h THR 57 N -0.60 1.07 -0.81 0.15 1.35 -1.22 -3.17 112.91 109.68 2kbz h THR 57 Ca -0.00 -0.38 0.14 0.00 -0.55 0.00 0.00 66.41 65.62 2kbz h THR 57 Cb 0.57 -0.13 -0.06 0.00 -1.73 0.00 0.00 68.15 66.80 2kbz h THR 57 CO 0.00 0.20 0.53 -0.33 -0.25 0.00 0.00 175.52 175.67 2kbz h GLU 58 N 1.10 0.54 -0.74 4.72 4.39 -1.59 -2.23 114.58 120.77 2kbz h GLU 58 Ca 0.42 -0.03 0.14 0.00 0.34 0.00 0.00 59.36 60.23 2kbz h GLU 58 Cb 0.18 -0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 28.61 2kbz h GLU 58 CO -0.18 0.35 0.28 0.52 -1.16 0.00 0.00 179.01 178.82 2kbz h MET 59 N 0.55 0.40 0.16 2.33 2.86 -1.68 -2.99 114.93 116.55 2kbz h MET 59 Ca 0.40 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 58.00 2kbz h MET 59 Cb 0.75 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.32 2kbz h MET 59 CO -0.15 0.26 -0.08 0.28 1.06 0.00 0.00 176.91 178.29 2kbz h VAL 60 N 0.41 0.82 0.00 -2.22 2.07 -1.50 -2.90 116.25 112.93 2kbz h VAL 60 Ca 0.41 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2kbz h VAL 60 Cb 0.63 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 2kbz h VAL 60 CO -0.42 0.22 0.28 -0.65 0.02 0.00 0.00 177.57 177.02 2kbz h PRO 61 N -0.88 0.00 -0.21 1.57 0.11 -1.56 0.37 132.00 131.40 2kbz h PRO 61 Ca -0.02 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 2kbz h PRO 61 Cb 0.52 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 2kbz h PRO 61 CO 0.04 0.00 0.08 -0.07 -0.21 0.00 0.00 178.00 177.84 2kbz h LEU 62 N 0.00 0.30 0.20 2.35 3.38 -1.49 -1.86 115.31 118.18 2kbz h LEU 62 Ca 0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2kbz h LEU 62 Cb 0.56 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2kbz h LEU 62 CO 0.00 0.39 -0.09 0.25 0.09 0.00 0.00 178.44 179.08 2kbz h LEU 63 N 0.19 -0.22 -1.42 1.67 5.85 -0.69 -2.86 115.31 117.83 2kbz h LEU 63 Ca 0.07 -0.31 -0.06 0.00 0.84 0.00 0.00 57.88 58.42 2kbz h LEU 63 Cb 0.19 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2kbz h LEU 63 CO -0.00 0.26 -0.29 1.62 -0.34 0.00 0.00 178.44 179.68 2kbz h VAL 64 N -0.78 1.11 0.05 1.05 3.04 -0.54 0.17 116.25 120.36 2kbz h VAL 64 Ca -0.03 -1.03 -0.20 0.00 -1.01 0.00 0.00 66.70 64.43 2kbz h VAL 64 Cb 0.51 1.57 0.02 0.00 -2.01 0.00 0.00 31.29 31.38 2kbz h VAL 64 CO 0.04 0.29 -0.81 1.05 -1.01 0.00 0.00 177.57 177.13 2kbz h GLU 65 N 0.00 0.46 0.09 4.17 4.11 -1.49 -1.85 114.58 120.08 2kbz h GLU 65 Ca -0.00 -0.56 0.02 0.00 0.07 0.00 0.00 59.36 58.89 2kbz h GLU 65 Cb 0.55 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 2kbz h GLU 65 CO 0.04 1.21 -0.26 0.35 0.07 0.00 0.00 179.01 180.41 2kbz h PHE 66 N -0.03 -0.70 -0.21 2.06 3.04 -1.33 -2.73 116.94 117.05 2kbz h PHE 66 Ca -0.11 0.02 -0.15 0.00 3.98 0.00 0.00 57.97 61.70 2kbz h PHE 66 Cb 1.53 0.30 -0.01 0.00 2.56 0.00 0.00 35.95 40.33 2kbz h PHE 66 CO 0.15 -0.36 -0.50 0.00 -2.02 0.00 0.00 178.31 175.57 2kbz h ALA 67 N 0.30 0.74 0.00 2.41 0.00 -1.11 -3.28 119.26 118.32 2kbz h ALA 67 Ca 0.04 -0.49 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 2kbz h ALA 67 Cb 0.49 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2kbz h ALA 67 CO -0.17 0.68 -0.62 -0.22 0.00 0.00 0.00 179.25 178.92 2kbz h LYS 68 N 0.45 0.00 -0.32 0.00 3.64 -1.38 -3.31 116.57 115.65 2kbz h LYS 68 Ca 0.02 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.49 2kbz h LYS 68 Cb 1.04 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 2kbz h LYS 68 CO 0.10 0.62 0.38 0.22 -2.27 0.00 0.00 179.45 178.50 2kbz h ASP 69 N 0.00 0.00 -0.36 4.20 3.58 -1.54 0.26 116.42 122.56 2kbz h ASP 69 Ca -0.01 0.00 0.10 0.00 0.42 0.00 0.00 57.03 57.55 2kbz h ASP 69 Cb 1.24 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.28 2kbz h ASP 69 CO 0.08 0.00 0.26 -0.08 -2.88 0.00 0.00 179.24 176.62 2kbz h GLU 70 N 0.00 0.00 -0.44 0.28 4.22 -1.75 -3.15 114.58 113.74 2kbz h GLU 70 Ca 0.15 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.59 2kbz h GLU 70 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2kbz h GLU 70 CO -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 179.01 176.83 2kbz n HIS 72 N 1.20 0.00 -3.54 0.00 8.25 -1.19 -4.89 115.22 115.05 2kbz n HIS 72 Ca 0.19 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.49 2kbz n HIS 72 Cb 0.52 -1.95 -0.06 0.00 1.12 0.00 0.00 29.99 29.63 2kbz n HIS 72 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2kbz s ASN 73 N -2.88 -0.56 0.00 0.41 2.20 -1.26 -5.00 114.94 107.85 2kbz s ASN 73 Ca 0.00 0.45 0.18 0.00 -0.94 0.00 0.00 52.86 52.54 2kbz s ASN 73 Cb 0.00 0.52 0.66 0.00 -2.00 0.00 0.00 41.25 40.43 2kbz s ASN 73 CO 0.00 -0.67 1.48 -0.81 -2.94 0.00 0.00 177.10 174.16 2kbz n PRO 74 N 0.65 1.65 -1.25 3.55 -0.04 -1.26 -4.26 135.00 134.03 2kbz n PRO 74 Ca -0.19 -0.98 -0.09 0.00 -0.04 0.00 0.00 63.50 62.21 2kbz n PRO 74 Cb 0.59 -1.34 -0.04 0.00 -0.04 0.00 0.00 33.50 32.67 2kbz n PRO 74 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2kbz n PHE 75 N 0.22 0.00 -4.14 0.54 3.72 -1.26 -4.76 117.46 111.78 2kbz n PHE 75 Ca 0.14 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.20 2kbz n PHE 75 Cb 0.28 -2.06 -0.08 0.00 -0.94 0.00 0.00 39.48 36.69 2kbz n PHE 75 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2kbz s ILE 76 N -2.05 4.77 0.00 4.37 1.01 -1.26 -1.12 121.20 126.91 2kbz s ILE 76 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.41 2kbz s ILE 76 Cb 0.00 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.36 2kbz s ILE 76 CO 0.00 0.48 0.00 -0.67 0.00 0.00 0.00 174.94 174.75 2kbz n ASP 77 N 1.63 0.00 0.22 3.58 2.03 0.14 -4.93 116.55 119.21 2kbz n ASP 77 Ca -0.16 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 54.99 2kbz n ASP 77 Cb 0.53 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.84 2kbz n ASP 77 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2kbz h LYS 78 N 0.00 -0.82 -0.08 -0.67 1.79 -2.01 -3.25 116.57 111.53 2kbz h LYS 78 Ca 0.00 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2kbz h LYS 78 Cb 0.00 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2kbz h LYS 78 CO 0.00 -0.55 0.00 -0.25 -1.08 0.00 0.00 179.45 177.57 2kbz n ASP 79 N -5.21 2.37 -3.84 0.86 8.00 -1.26 -4.95 116.55 112.51 2kbz n ASP 79 Ca -0.10 -2.28 -0.42 0.00 0.71 0.00 0.00 54.79 52.70 2kbz n ASP 79 Cb 0.41 -0.16 -0.00 0.00 -0.02 0.00 0.00 41.12 41.34 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 -0.49 4.02 3.56 0.44 0.00 -1.23 -4.95 105.19 106.54 2kbz n GLY 80 Ca 0.07 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 2kbz n GLY 80 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kbz n ASN 81 N 6.58 0.52 -3.57 1.61 3.02 -1.26 0.27 115.26 122.43 2kbz n ASN 81 Ca 0.51 0.99 -0.39 0.00 -0.03 0.00 0.00 54.58 55.66 2kbz n ASN 81 Cb 0.40 -1.27 -0.02 0.00 -0.61 0.00 0.00 39.78 38.28 2kbz n ASN 81 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2kbz n GLU 82 N 0.25 0.00 -4.19 3.52 -0.00 -1.26 -4.82 120.64 114.13 2kbz n GLU 82 Ca 0.10 0.00 -0.13 0.00 -0.00 0.00 0.00 57.16 57.14 2kbz n GLU 82 Cb 0.39 -0.81 -0.10 0.00 -0.00 0.00 0.00 31.44 30.92 2kbz n GLU 82 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2kbz s SER 83 N -0.81 1.41 -0.36 -1.84 0.15 -0.28 -4.96 113.70 107.01 2kbz s SER 83 Ca 0.52 -0.95 0.01 0.00 0.70 0.00 0.00 55.95 56.23 2kbz s SER 83 Cb -0.75 0.04 0.11 0.00 -1.71 0.00 0.00 66.02 63.71 2kbz s SER 83 CO 0.46 -0.37 0.14 -0.63 1.20 0.00 0.00 173.24 174.03 2kbz s ILE 84 N -3.21 1.31 0.87 6.45 1.09 -1.26 -4.90 121.20 121.55 2kbz s ILE 84 Ca 0.11 -1.96 -0.11 0.00 -1.10 0.00 0.00 60.65 57.59 2kbz s ILE 84 Cb 0.02 -1.96 0.11 0.00 -1.06 0.00 0.00 42.46 39.58 2kbz s ILE 84 CO -0.02 -0.74 1.10 -2.16 -0.10 0.00 0.00 174.94 173.02 2kbz s PRO 85 N 1.06 1.46 0.31 2.79 0.04 -1.26 -4.63 135.00 134.76 2kbz s PRO 85 Ca 0.13 1.06 0.07 0.00 0.04 0.00 0.00 61.00 62.29 2kbz s PRO 85 Cb -0.20 -1.81 0.81 0.00 0.04 0.00 0.00 34.50 33.34 2kbz s PRO 85 CO -0.14 -2.17 1.71 0.77 0.04 0.00 0.00 177.00 177.22 2kbz h SER 86 N -1.51 0.52 0.23 6.66 0.02 -2.01 -0.03 113.55 117.43 2kbz h SER 86 Ca -0.47 0.14 -0.19 0.00 -0.84 0.00 0.00 61.79 60.44 2kbz h SER 86 Cb 1.26 0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.88 2kbz h SER 86 CO 0.51 0.05 -0.74 1.23 -1.14 0.00 0.00 176.83 176.75 2kbz h GLY 87 N 0.50 0.48 2.00 -3.77 0.00 -1.98 -2.51 103.07 97.78 2kbz h GLY 87 Ca 0.61 -0.68 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 2kbz h GLY 87 CO -0.50 0.60 -0.19 -0.24 0.00 0.00 0.00 176.54 176.21 2kbz h VAL 88 N 0.29 0.36 -0.19 4.60 3.04 -1.66 -2.83 116.25 119.86 2kbz h VAL 88 Ca -0.03 -1.35 -0.14 0.00 -1.01 0.00 0.00 66.70 64.16 2kbz h VAL 88 Cb 1.31 2.04 -0.01 0.00 -2.01 0.00 0.00 31.29 32.63 2kbz h VAL 88 CO 0.13 0.19 -0.48 0.25 -1.01 0.00 0.00 177.57 176.64 2kbz h LEU 89 N 0.00 0.55 -0.91 3.16 5.85 -1.00 0.05 115.31 123.00 2kbz h LEU 89 Ca -0.00 -0.27 -0.07 0.00 0.84 0.00 0.00 57.88 58.38 2kbz h LEU 89 Cb 1.03 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 2kbz h LEU 89 CO 0.03 0.94 0.07 0.16 -0.34 0.00 0.00 178.44 179.30 2kbz h ILE 90 N 0.40 1.24 0.67 4.05 3.07 -1.32 -0.77 117.51 124.84 2kbz h ILE 90 Ca 0.02 -0.94 -0.03 0.00 1.55 0.00 0.00 64.86 65.46 2kbz h ILE 90 Cb 0.99 0.75 -0.01 0.00 -0.27 0.00 0.00 36.82 38.29 2kbz h ILE 90 CO 0.09 0.34 -0.43 0.15 -1.05 0.00 0.00 178.15 177.25 2kbz h PHE 91 N 0.82 -1.15 0.15 0.16 3.57 -1.34 -2.64 116.94 116.51 2kbz h PHE 91 Ca 0.17 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2kbz h PHE 91 Cb 0.39 0.42 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 2kbz h PHE 91 CO 0.02 -0.64 -0.35 0.28 -2.23 0.00 0.00 178.31 175.39 2kbz h VAL 92 N -1.04 0.00 -0.54 1.41 2.07 -0.81 -0.78 116.25 116.55 2kbz h VAL 92 Ca -0.08 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 2kbz h VAL 92 Cb 0.85 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2kbz h VAL 92 CO 0.07 0.00 0.19 0.00 0.02 0.00 0.00 177.57 177.85 2kbz h ALA 93 N -0.96 0.71 0.02 1.67 0.00 -1.29 -2.78 119.26 116.62 2kbz h ALA 93 Ca -0.01 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.51 2kbz h ALA 93 Cb 0.53 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2kbz h ALA 93 CO -0.15 0.35 -0.92 1.57 0.00 0.00 0.00 179.25 180.09 2kbz h LYS 94 N 0.75 0.20 -0.33 0.00 2.10 -1.53 -2.34 116.57 115.41 2kbz h LYS 94 Ca 0.18 -0.23 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 2kbz h LYS 94 Cb 0.25 0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 31.63 2kbz h LYS 94 CO -0.01 0.99 0.17 0.00 -2.00 0.00 0.00 179.45 178.59 2kbz h ALA 95 N 0.93 0.42 -0.00 0.07 0.00 -1.20 -2.49 119.26 116.98 2kbz h ALA 95 Ca -0.05 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 2kbz h ALA 95 Cb 1.57 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 2kbz h ALA 95 CO 0.14 -0.03 -0.82 0.00 0.00 0.00 0.00 179.25 178.54 2kbz h ALA 96 N 1.03 0.61 0.00 0.00 0.00 -1.61 -2.35 119.26 116.94 2kbz h ALA 96 Ca 0.11 -0.71 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 2kbz h ALA 96 Cb 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2kbz h ALA 96 CO -0.02 0.93 -0.26 -0.56 0.00 0.00 0.00 179.25 179.34 2kbz h GLN 97 N 0.07 0.00 0.18 0.00 -0.00 -1.39 -0.15 115.11 113.81 2kbz h GLN 97 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.61 2kbz h GLN 97 Cb 1.43 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.91 2kbz h GLN 97 CO 0.12 0.26 -0.08 0.35 -0.00 0.00 0.00 178.83 179.47 2kbz h PHE 98 N 0.00 -0.22 -0.21 0.06 3.04 -1.35 -3.39 116.94 114.88 2kbz h PHE 98 Ca -0.00 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.83 2kbz h PHE 98 Cb 0.86 0.07 -0.00 0.00 2.56 0.00 0.00 35.95 39.44 2kbz h PHE 98 CO 0.00 0.20 -0.31 -0.92 -2.02 0.00 0.00 178.31 175.26 2kbz h TYR 99 N -0.86 0.71 -0.95 0.41 3.20 -1.44 -3.35 116.97 114.69 2kbz h TYR 99 Ca -0.02 -0.24 0.28 0.00 3.14 0.00 0.00 58.73 61.88 2kbz h TYR 99 Cb 0.52 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 2kbz h TYR 99 CO 0.08 0.97 0.75 1.98 -1.64 0.00 0.00 178.16 180.30 2kbz h MET 100 N 0.26 0.00 -0.01 1.82 4.05 -1.20 -0.87 114.93 118.97 2kbz h MET 100 Ca 0.02 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 2kbz h MET 100 Cb 0.89 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.69 2kbz h MET 100 CO 0.07 0.00 -0.19 -2.37 0.23 0.00 0.00 176.91 174.65 2kbz n THR 101 N -4.03 0.00 -2.71 -0.77 5.66 -1.26 -4.28 114.28 106.90 2kbz n THR 101 Ca 0.20 -0.09 -0.08 0.00 -3.05 0.00 0.00 64.05 61.03 2kbz n THR 101 Cb 1.08 0.16 0.10 0.00 -1.55 0.00 0.00 70.33 70.11 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 -0.82 -2.07 0.00 1.09 2.04 -0.45 -4.66 115.26 110.39 2kbz n ASN 102 Ca 0.13 -3.03 0.00 0.00 -0.44 0.00 0.00 54.58 51.24 2kbz n ASN 102 Cb 0.32 1.49 0.00 0.00 -2.53 0.00 0.00 39.78 39.05 2kbz n ASN 102 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2kbz n ALA 103 N -0.07 0.19 -2.37 -2.53 0.00 -0.51 -4.84 120.51 110.38 2kbz n ALA 103 Ca 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 53.44 53.38 2kbz n ALA 103 Cb 0.76 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.26 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 2.53 1.24 0.84 0.00 0.00 -1.26 -4.71 105.19 103.83 2kbz n GLY 104 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.85 0.46 -1.07 0.99 -0.00 -1.26 -3.60 117.00 111.67 2kbz n LEU 105 Ca -0.20 0.06 0.08 0.00 -0.00 0.00 0.00 56.01 55.95 2kbz n LEU 105 Cb 0.77 -0.21 0.28 0.00 -0.00 0.00 0.00 43.42 44.27 2kbz n LEU 105 CO -0.14 -0.56 0.73 1.07 -0.00 0.00 0.00 177.39 178.49 2kbz n THR 106 N -2.92 2.18 1.30 1.47 5.66 -1.26 -4.31 114.28 116.40 2kbz n THR 106 Ca -0.01 -1.65 0.14 0.00 -3.05 0.00 0.00 64.05 59.47 2kbz n THR 106 Cb 0.03 -0.14 0.51 0.00 -1.55 0.00 0.00 70.33 69.18 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 -0.09 -0.88 0.00 1.09 0.00 -1.26 -4.83 105.19 99.22 2kbz n GLY 107 Ca 0.22 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2kbz n GLY 107 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kbz n ARG 108 N -0.92 0.00 -2.66 1.61 0.63 -1.26 -4.89 116.66 109.17 2kbz n ARG 108 Ca 0.13 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 57.02 2kbz n ARG 108 Cb 0.31 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.24 2kbz n ARG 108 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2kbz n SER 109 N 0.00 -1.17 -1.29 6.15 2.88 -1.26 -5.01 113.62 113.92 2kbz n SER 109 Ca 0.00 -1.71 0.00 0.00 -1.33 0.00 0.00 58.87 55.83 2kbz n SER 109 Cb 0.00 1.05 0.00 0.00 -0.75 0.00 0.00 64.21 64.51 2kbz n SER 109 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2kbz n MET 110 N -0.22 0.00 -0.02 -1.46 2.81 -1.24 -5.04 117.12 111.96 2kbz n MET 110 Ca -0.21 0.43 -0.17 0.00 -1.81 0.00 0.00 57.70 55.94 2kbz n MET 110 Cb 0.68 -0.97 -0.08 0.00 -0.71 0.00 0.00 33.22 32.14 2kbz n MET 110 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2kbz h ASP 111 N 0.00 0.81 -5.07 7.83 5.19 -1.85 -3.47 116.42 119.85 2kbz h ASP 111 Ca 0.00 -0.65 0.09 0.00 -0.62 0.00 0.00 57.03 55.86 2kbz h ASP 111 Cb 0.00 -0.24 -0.07 0.00 0.18 0.00 0.00 39.33 39.20 2kbz h ASP 111 CO 0.00 1.33 0.30 0.28 -3.12 0.00 0.00 179.24 178.03 2kbz s THR 112 N -3.68 0.00 0.00 0.35 -1.32 -1.26 -5.12 115.64 104.61 2kbz s THR 112 Ca -0.11 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 59.56 2kbz s THR 112 Cb 0.07 -1.89 0.00 0.00 -1.51 0.00 0.00 72.50 69.17 2kbz s THR 112 CO 0.87 0.00 0.00 0.55 -2.21 0.00 0.00 174.62 173.83 2kbz n VAL 113 N -0.45 0.00 -2.01 5.08 3.14 -1.26 -4.53 118.33 118.30 2kbz n VAL 113 Ca -0.06 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.92 2kbz n VAL 113 Cb 0.60 -0.04 -0.00 0.00 -1.06 0.00 0.00 33.84 33.33 2kbz n VAL 113 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2kbz n SER 114 N -1.86 7.93 -4.93 6.55 3.41 -1.26 -4.98 113.62 118.49 2kbz n SER 114 Ca 0.00 -3.14 -0.25 0.00 -0.26 0.00 0.00 58.87 55.22 2kbz n SER 114 Cb 0.00 -1.36 -0.01 0.00 -0.26 0.00 0.00 64.21 62.58 2kbz n SER 114 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2kbz s TYR 115 N -1.10 3.52 -0.04 7.33 -0.85 -1.26 -5.13 117.35 119.81 2kbz s TYR 115 Ca 0.53 0.50 0.04 0.00 -0.52 0.00 0.00 57.07 57.62 2kbz s TYR 115 Cb 0.18 -2.02 -0.00 0.00 0.38 0.00 0.00 41.96 40.50 2kbz s TYR 115 CO -0.09 0.01 -0.16 -0.80 -1.52 0.00 0.00 175.55 172.99 2kbz s ASN 116 N -4.00 2.05 0.00 -0.18 -0.87 -1.26 -5.05 114.94 105.62 2kbz s ASN 116 Ca 0.42 -0.33 0.24 0.00 -1.57 0.00 0.00 52.86 51.62 2kbz s ASN 116 Cb -0.10 -0.51 1.20 0.00 -0.02 0.00 0.00 41.25 41.83 2kbz s ASN 116 CO 0.38 0.16 1.80 0.49 -2.57 0.00 0.00 177.10 177.36 2kbz n PHE 117 N 3.07 0.00 1.08 2.20 3.72 -1.26 -1.38 117.46 124.89 2kbz n PHE 117 Ca -0.17 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.35 2kbz n PHE 117 Cb 0.53 -0.30 0.36 0.00 -0.94 0.00 0.00 39.48 39.13 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 3.22 -1.42 4.37 0.00 -1.26 -3.30 120.51 120.82 2kbz n ALA 118 Ca 0.11 -0.32 0.07 0.00 0.00 0.00 0.00 53.44 53.31 2kbz n ALA 118 Cb 0.20 -1.19 0.13 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.30 1.59 -3.56 0.00 5.66 -0.48 -5.06 114.28 111.14 2kbz n THR 119 Ca 0.08 -2.12 -0.03 0.00 -3.05 0.00 0.00 64.05 58.92 2kbz n THR 119 Cb 0.33 -0.06 -0.00 0.00 -1.55 0.00 0.00 70.33 69.05 2kbz n THR 119 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2kbz n GLU 120 N -1.04 0.22 -0.65 1.09 1.02 -1.08 -4.87 120.64 115.32 2kbz n GLU 120 Ca 0.14 -0.70 0.00 0.00 -0.02 0.00 0.00 57.16 56.58 2kbz n GLU 120 Cb 0.69 0.72 0.00 0.00 -0.02 0.00 0.00 31.44 32.83 2kbz n GLU 120 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2kbz n ILE 121 N -0.15 -2.75 -1.95 -3.67 2.08 -1.26 -4.81 119.36 106.85 2kbz n ILE 121 Ca -0.01 0.97 -0.37 0.00 0.56 0.00 0.00 62.75 63.91 2kbz n ILE 121 Cb 0.16 -1.46 0.03 0.00 -0.75 0.00 0.00 39.64 37.62 2kbz n ILE 121 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2kbz s PRO 122 N -4.73 3.07 0.60 0.38 0.04 -1.26 -4.95 135.00 128.15 2kbz s PRO 122 Ca 0.00 1.96 0.38 0.00 0.04 0.00 0.00 61.00 63.38 2kbz s PRO 122 Cb 0.00 -2.07 1.80 0.00 0.04 0.00 0.00 34.50 34.26 2kbz s PRO 122 CO 0.00 -1.16 2.15 0.77 0.04 0.00 0.00 177.00 178.79 2kbz h SER 123 N 1.16 0.00 0.06 6.66 0.02 -2.00 -2.94 113.55 116.51 2kbz h SER 123 Ca -0.50 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.35 2kbz h SER 123 Cb 1.30 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.85 2kbz h SER 123 CO 0.56 0.01 -0.41 0.00 -1.14 0.00 0.00 176.83 175.85 2kbz h THR 124 N 0.00 1.62 0.00 -2.27 1.03 -2.02 -3.35 112.91 107.92 2kbz h THR 124 Ca -0.00 -2.34 -0.10 0.00 -0.01 0.00 0.00 66.41 63.97 2kbz h THR 124 Cb 0.30 3.16 -0.01 0.00 -1.07 0.00 0.00 68.15 70.53 2kbz h THR 124 CO 0.00 0.64 -0.45 0.40 -0.01 0.00 0.00 175.52 176.10 2kbz h ILE 125 N -0.60 1.18 -0.63 0.00 5.03 -1.95 -3.00 117.51 117.54 2kbz h ILE 125 Ca -0.07 -1.63 0.18 0.00 -0.12 0.00 0.00 64.86 63.22 2kbz h ILE 125 Cb 1.28 1.92 -0.03 0.00 -3.03 0.00 0.00 36.82 36.96 2kbz h ILE 125 CO 0.08 0.44 0.58 -0.07 -0.68 0.00 0.00 178.15 178.50 2kbz h LEU 126 N 0.00 0.00 -0.73 1.44 3.38 -1.65 0.44 115.31 118.20 2kbz h LEU 126 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kbz h LEU 126 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2kbz h LEU 126 CO 0.06 0.00 0.00 0.50 0.09 0.00 0.00 178.44 179.09 2kbz h LYS 127 N 0.00 0.00 0.00 1.13 3.64 -1.66 -2.79 116.57 116.89 2kbz h LYS 127 Ca 0.30 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.53 2kbz h LYS 127 Cb 1.45 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.24 2kbz h LYS 127 CO -0.00 0.00 -0.95 0.87 -2.27 0.00 0.00 179.45 177.09 2kbz h LYS 128 N 0.00 0.00 0.00 1.90 1.57 -0.27 -3.30 116.57 116.47 2kbz h LYS 128 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kbz h LYS 128 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2kbz h LYS 128 CO 0.00 0.47 0.00 -0.11 -0.57 0.00 0.00 179.45 179.24 2kbz n LEU 129 N -3.10 0.00 -0.10 2.94 -0.00 -0.97 -3.89 117.00 111.88 2kbz n LEU 129 Ca -0.03 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.81 2kbz n LEU 129 Cb 0.81 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 44.17 2kbz n LEU 129 CO 0.42 0.00 -0.85 0.59 -0.00 0.00 0.00 177.39 177.55 2kbz n ASN 130 N -0.95 1.91 0.00 1.96 3.02 -1.22 -4.66 115.26 115.33 2kbz n ASN 130 Ca 0.12 0.40 0.05 0.00 -0.03 0.00 0.00 54.58 55.12 2kbz n ASN 130 Cb 0.06 -0.82 0.22 0.00 -0.61 0.00 0.00 39.78 38.63 2kbz n ASN 130 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2kbz n PRO 131 N -4.42 0.08 0.00 3.52 -0.04 -1.25 -4.71 135.00 128.19 2kbz n PRO 131 Ca -0.28 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2kbz n PRO 131 Cb 0.62 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.38 -0.71 -2.39 0.54 4.11 -1.26 -4.74 117.16 111.33 2kbz n TYR 132 Ca 0.04 0.00 -0.43 0.00 -0.00 0.00 0.00 57.90 57.51 2kbz n TYR 132 Cb 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.41 2kbz n TYR 132 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 2kbz s ARG 133 N -0.32 3.97 0.00 -3.48 3.00 -1.26 -3.53 118.95 117.34 2kbz s ARG 133 Ca 0.00 1.38 0.00 0.00 -1.00 0.00 0.00 55.73 56.11 2kbz s ARG 133 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 34.95 31.08 2kbz s ARG 133 CO 0.00 -1.04 0.00 1.63 0.00 0.00 0.00 175.30 175.89 2kbz n LYS 134 N 7.19 0.00 -0.79 5.12 4.76 -1.26 -4.94 118.16 128.23 2kbz n LYS 134 Ca 0.15 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.55 2kbz n LYS 134 Cb 0.46 0.00 0.21 0.00 -1.84 0.00 0.00 35.03 33.86 2kbz n LYS 134 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2kbz n MET 135 N -1.77 2.15 -0.84 1.97 2.81 -1.23 -4.78 117.12 115.42 2kbz n MET 135 Ca 0.00 -3.10 -0.11 0.00 -1.81 0.00 0.00 57.70 52.68 2kbz n MET 135 Cb 0.00 -1.88 -0.02 0.00 -0.71 0.00 0.00 33.22 30.62 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 -0.98 5.07 -1.52 3.04 0.00 -1.26 -4.85 120.51 120.01 2kbz n ALA 136 Ca 0.34 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.52 2kbz n ALA 136 Cb 1.09 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 19.07 2kbz n ALA 136 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37