#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbr s ASP 2 N 0.00 -1.01 0.00 7.83 1.01 -1.26 -5.04 116.67 118.20 2kbr s ASP 2 Ca 0.00 1.48 0.00 0.00 0.71 0.00 0.00 52.55 54.74 2kbr s ASP 2 Cb 0.00 1.85 0.00 0.00 1.01 0.00 0.00 42.92 45.78 2kbr s ASP 2 CO 0.00 -0.22 0.00 -2.11 0.21 0.00 0.00 175.17 173.05 2kbr n ARG 3 N 4.88 0.00 0.13 8.23 1.85 -1.26 -4.88 116.66 125.60 2kbr n ARG 3 Ca -0.15 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.73 2kbr n ARG 3 Cb 0.54 -0.09 0.42 0.00 -1.05 0.00 0.00 32.46 32.28 2kbr n ARG 3 CO 0.00 0.00 0.00 1.57 -0.01 0.00 0.00 177.63 179.19 2kbr h LYS 4 N 0.00 0.23 -0.85 2.89 2.10 -2.00 -2.06 116.57 116.88 2kbr h LYS 4 Ca 0.00 -0.04 0.20 0.00 -2.00 0.00 0.00 60.65 58.81 2kbr h LYS 4 Cb 0.00 -0.04 -0.05 0.00 -0.90 0.00 0.00 32.23 31.24 2kbr h LYS 4 CO 0.00 0.33 0.58 0.28 -2.00 0.00 0.00 179.45 178.63 2kbr h VAL 5 N 0.22 0.67 -0.19 0.07 2.07 -1.98 0.34 116.25 117.44 2kbr h VAL 5 Ca 0.05 -0.10 -0.20 0.00 0.82 0.00 0.00 66.70 67.26 2kbr h VAL 5 Cb 0.30 0.35 0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2kbr h VAL 5 CO 0.02 0.05 -0.67 0.00 0.02 0.00 0.00 177.57 176.99 2kbr h ALA 6 N 1.61 0.33 -0.47 1.67 0.00 -1.73 -0.46 119.26 120.21 2kbr h ALA 6 Ca 0.43 -0.56 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 2kbr h ALA 6 Cb 1.22 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2kbr h ALA 6 CO -0.12 0.64 -0.19 0.00 0.00 0.00 0.00 179.25 179.58 2kbr h ARG 7 N 0.52 0.94 -0.15 0.00 3.08 -0.64 0.15 114.38 118.29 2kbr h ARG 7 Ca -0.03 -0.38 -0.18 0.00 0.07 0.00 0.00 59.98 59.46 2kbr h ARG 7 Cb 1.30 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 2kbr h ARG 7 CO 0.14 1.04 -0.66 0.93 -1.07 0.00 0.00 179.97 180.35 2kbr h GLU 8 N 0.82 0.57 -0.26 0.04 4.39 -0.52 0.43 114.58 120.05 2kbr h GLU 8 Ca 0.11 -0.42 -0.10 0.00 0.34 0.00 0.00 59.36 59.29 2kbr h GLU 8 Cb 0.74 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 2kbr h GLU 8 CO 0.06 1.04 -0.21 0.35 -1.16 0.00 0.00 179.01 179.09 2kbr h PHE 9 N 0.41 0.72 -0.12 4.33 3.57 -0.92 -0.47 116.94 124.47 2kbr h PHE 9 Ca -0.02 -0.21 -0.15 0.00 3.53 0.00 0.00 57.97 61.12 2kbr h PHE 9 Cb 1.24 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 39.83 2kbr h PHE 9 CO 0.06 0.91 -0.53 -0.09 -2.23 0.00 0.00 178.31 176.43 2kbr h ARG 10 N 0.34 0.57 -0.43 1.11 1.12 -0.68 -2.42 114.38 113.98 2kbr h ARG 10 Ca 0.05 -0.45 -0.00 0.00 -1.11 0.00 0.00 59.98 58.46 2kbr h ARG 10 Cb 0.76 0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.79 2kbr h ARG 10 CO 0.06 1.07 0.25 1.25 -3.11 0.00 0.00 179.97 179.50 2kbr h HIS 11 N 0.19 0.57 0.28 2.20 2.76 -0.16 -1.01 115.15 119.98 2kbr h HIS 11 Ca -0.03 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.12 2kbr h HIS 11 Cb 1.16 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.93 2kbr h HIS 11 CO 0.11 0.41 -0.17 0.87 -1.30 0.00 0.00 177.93 177.85 2kbr h LYS 12 N 0.57 -0.41 -0.91 5.26 1.79 -1.12 -0.14 116.57 121.60 2kbr h LYS 12 Ca 0.15 0.03 0.16 0.00 -2.18 0.00 0.00 60.65 58.81 2kbr h LYS 12 Cb 0.01 0.09 -0.08 0.00 -1.58 0.00 0.00 32.23 30.68 2kbr h LYS 12 CO -0.03 -0.28 0.59 0.28 -1.08 0.00 0.00 179.45 178.93 2kbr h VAL 13 N -0.43 0.80 0.00 0.50 2.07 -1.27 0.34 116.25 118.26 2kbr h VAL 13 Ca -0.03 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.17 2kbr h VAL 13 Cb 0.35 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 2kbr h VAL 13 CO 0.03 0.12 -0.45 -0.78 0.02 0.00 0.00 177.57 176.51 2kbr h ASP 14 N 0.67 0.00 0.16 0.57 1.82 -0.57 0.36 116.42 119.44 2kbr h ASP 14 Ca 0.47 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.99 2kbr h ASP 14 Cb 0.81 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.80 2kbr h ASP 14 CO -0.23 0.45 -0.45 0.15 -1.61 0.00 0.00 179.24 177.56 2kbr h PHE 15 N 0.00 0.42 0.03 0.28 3.04 0.15 0.12 116.94 120.98 2kbr h PHE 15 Ca -0.00 -0.13 -0.30 0.00 3.98 0.00 0.00 57.97 61.52 2kbr h PHE 15 Cb 0.96 -0.09 -0.04 0.00 2.56 0.00 0.00 35.95 39.34 2kbr h PHE 15 CO 0.00 0.74 -1.65 1.28 -2.02 0.00 0.00 178.31 176.66 2kbr n LEU 16 N -4.00 2.12 -0.03 0.59 4.77 -0.81 -4.70 117.00 114.95 2kbr n LEU 16 Ca -0.02 0.34 -0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2kbr n LEU 16 Cb 0.52 -0.99 -0.00 0.00 -2.33 0.00 0.00 43.42 40.62 2kbr n LEU 16 CO 0.43 0.49 -0.03 0.40 -1.33 0.00 0.00 177.39 177.35 2kbr h ILE 17 N -0.69 0.00 0.00 -0.08 5.03 -0.36 -3.46 117.51 117.95 2kbr h ILE 17 Ca -0.42 -0.49 0.00 0.00 -0.12 0.00 0.00 64.86 63.83 2kbr h ILE 17 Cb 1.55 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.34 2kbr h ILE 17 CO -0.15 0.00 0.00 1.21 -0.68 0.00 0.00 178.15 178.53 2kbr n GLU 18 N -3.37 -0.59 -4.14 2.37 2.13 0.42 -4.93 120.64 112.53 2kbr n GLU 18 Ca -0.01 0.15 -0.24 0.00 0.66 0.00 0.00 57.16 57.72 2kbr n GLU 18 Cb 0.02 -4.42 -0.06 0.00 0.27 0.00 0.00 31.44 27.26 2kbr n GLU 18 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2kbr s ASN 19 N -2.08 5.30 -0.11 4.31 0.01 -1.26 -5.05 114.94 116.05 2kbr s ASN 19 Ca 0.00 -0.28 -0.13 0.00 -0.71 0.00 0.00 52.86 51.74 2kbr s ASN 19 Cb 0.00 -1.29 -0.27 0.00 0.41 0.00 0.00 41.25 40.10 2kbr s ASN 19 CO 0.00 0.02 0.49 -0.78 -1.51 0.00 0.00 177.10 175.32 2kbr h ASP 20 N 2.03 0.39 -0.57 -1.22 1.82 -1.98 -3.07 116.42 113.82 2kbr h ASP 20 Ca -0.47 -0.86 0.00 0.00 -0.39 0.00 0.00 57.03 55.31 2kbr h ASP 20 Cb 1.22 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 41.08 2kbr h ASP 20 CO 0.61 1.70 0.37 0.00 -1.61 0.00 0.00 179.24 180.31 2kbr h ALA 21 N -0.03 0.72 -0.25 -0.78 0.00 -1.98 0.55 119.26 117.49 2kbr h ALA 21 Ca -0.35 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 2kbr h ALA 21 Cb 1.84 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 2kbr h ALA 21 CO 0.06 0.17 -0.07 0.93 0.00 0.00 0.00 179.25 180.34 2kbr h GLU 22 N 0.77 0.49 -0.20 0.00 5.08 -1.98 -2.08 114.58 116.65 2kbr h GLU 22 Ca 0.21 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 2kbr h GLU 22 Cb -0.07 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2kbr h GLU 22 CO -0.04 0.72 -0.17 -0.22 -1.00 0.00 0.00 179.01 178.30 2kbr h LYS 23 N 0.22 0.34 -0.16 2.33 3.64 -1.40 0.11 116.57 121.65 2kbr h LYS 23 Ca 0.06 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2kbr h LYS 23 Cb 0.55 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2kbr h LYS 23 CO 0.03 0.51 0.08 -0.44 -2.27 0.00 0.00 179.45 177.36 2kbr h ASP 24 N 0.32 0.21 -0.04 4.20 5.19 0.29 0.55 116.42 127.15 2kbr h ASP 24 Ca 0.06 -0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.33 2kbr h ASP 24 Cb 0.49 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 39.95 2kbr h ASP 24 CO 0.03 0.28 -0.01 0.22 -3.12 0.00 0.00 179.24 176.64 2kbr h TYR 25 N 0.13 0.08 -0.96 4.55 3.20 -1.05 0.39 116.97 123.31 2kbr h TYR 25 Ca 0.06 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.98 2kbr h TYR 25 Cb 0.12 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.31 2kbr h TYR 25 CO -0.03 0.41 0.62 1.25 -1.64 0.00 0.00 178.16 178.78 2kbr h LEU 26 N -0.28 0.98 -1.41 2.82 5.85 -0.73 0.80 115.31 123.34 2kbr h LEU 26 Ca 0.01 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2kbr h LEU 26 Cb 0.38 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2kbr h LEU 26 CO 0.00 0.63 0.14 1.88 -0.34 0.00 0.00 178.44 180.74 2kbr h TYR 27 N 1.11 0.53 -0.06 1.25 0.05 0.35 -0.39 116.97 119.81 2kbr h TYR 27 Ca 0.41 -0.02 -0.15 0.00 0.05 0.00 0.00 58.73 59.03 2kbr h TYR 27 Cb 0.19 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 2kbr h TYR 27 CO -0.00 0.43 -0.62 -0.44 -1.05 0.00 0.00 178.16 176.48 2kbr h ASP 28 N 0.53 0.25 0.27 3.88 3.32 0.25 -1.98 116.42 122.94 2kbr h ASP 28 Ca 0.13 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2kbr h ASP 28 Cb 0.13 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2kbr h ASP 28 CO -0.01 0.81 -0.13 0.58 -1.72 0.00 0.00 179.24 178.76 2kbr h VAL 29 N 0.16 0.74 -0.83 -1.35 2.07 0.16 -1.98 116.25 115.21 2kbr h VAL 29 Ca -0.01 -0.68 0.03 0.00 0.82 0.00 0.00 66.70 66.86 2kbr h VAL 29 Cb 1.13 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 2kbr h VAL 29 CO 0.09 0.13 0.55 -0.07 0.02 0.00 0.00 177.57 178.30 2kbr h LEU 30 N -0.76 0.89 -0.58 2.57 3.38 -1.19 0.22 115.31 119.85 2kbr h LEU 30 Ca -0.04 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2kbr h LEU 30 Cb 0.50 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2kbr h LEU 30 CO 0.06 0.61 0.38 0.03 0.09 0.00 0.00 178.44 179.62 2kbr h ARG 31 N 1.04 0.75 -0.18 1.13 3.08 -1.31 -0.92 114.38 117.96 2kbr h ARG 31 Ca 0.33 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.23 2kbr h ARG 31 Cb 0.03 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 2kbr h ARG 31 CO -0.10 0.50 -0.31 0.52 -1.07 0.00 0.00 179.97 179.51 2kbr h MET 32 N 0.77 0.53 -0.22 0.04 2.86 -0.54 -2.93 114.93 115.44 2kbr h MET 32 Ca 0.22 -0.33 0.06 0.00 -2.06 0.00 0.00 59.70 57.59 2kbr h MET 32 Cb -0.07 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 2kbr h MET 32 CO -0.06 0.93 0.23 -0.92 1.06 0.00 0.00 176.91 178.15 2kbr h TYR 33 N 0.19 0.00 -0.06 -0.22 3.20 -0.28 0.95 116.97 120.74 2kbr h TYR 33 Ca 0.01 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.71 2kbr h TYR 33 Cb 0.90 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.18 2kbr h TYR 33 CO 0.09 0.00 -0.65 1.25 -1.64 0.00 0.00 178.16 177.21 2kbr h HIS 34 N 0.00 0.78 0.07 -3.82 2.76 -0.99 -1.22 115.15 112.73 2kbr h HIS 34 Ca 0.10 -0.38 -0.00 0.00 -2.20 0.00 0.00 60.37 57.89 2kbr h HIS 34 Cb 0.56 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.42 2kbr h HIS 34 CO 0.00 1.19 -0.03 1.96 -1.30 0.00 0.00 177.93 179.74 2kbr h GLN 35 N 0.15 -0.09 0.00 5.26 7.50 -1.13 -3.35 115.11 123.46 2kbr h GLN 35 Ca -0.06 0.01 -0.04 0.00 0.50 0.00 0.00 58.65 59.05 2kbr h GLN 35 Cb 1.32 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.86 2kbr h GLN 35 CO 0.13 -0.06 -0.19 0.00 -1.50 0.00 0.00 178.83 177.22 2kbr h THR 36 N -0.79 0.77 -3.10 -0.54 1.03 -1.06 -3.46 112.91 105.76 2kbr h THR 36 Ca -0.01 -0.75 -0.40 0.00 -0.01 0.00 0.00 66.41 65.23 2kbr h THR 36 Cb 0.07 1.46 -0.01 0.00 -1.07 0.00 0.00 68.15 68.60 2kbr h THR 36 CO 0.01 0.18 -0.53 0.23 -0.01 0.00 0.00 175.52 175.41 2kbr n MET 37 N -3.79 -2.07 -3.46 0.00 2.81 -0.46 -4.95 117.12 105.20 2kbr n MET 37 Ca -0.02 0.97 -0.42 0.00 -1.81 0.00 0.00 57.70 56.43 2kbr n MET 37 Cb 0.29 -5.63 -0.10 0.00 -0.71 0.00 0.00 33.22 27.07 2kbr n MET 37 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2kbr s ASP 38 N -2.17 6.11 0.32 7.83 1.11 -1.25 -4.93 116.67 123.68 2kbr s ASP 38 Ca 0.04 -0.61 0.17 0.00 0.18 0.00 0.00 52.55 52.33 2kbr s ASP 38 Cb -0.02 -2.16 0.32 0.00 1.07 0.00 0.00 42.92 42.13 2kbr s ASP 38 CO 0.05 -0.37 1.56 0.58 1.18 0.00 0.00 175.17 178.17 2kbr h VAL 39 N 5.58 0.85 0.00 -1.27 2.07 -1.92 -3.04 116.25 118.51 2kbr h VAL 39 Ca -0.29 -1.94 -0.08 0.00 0.82 0.00 0.00 66.70 65.21 2kbr h VAL 39 Cb 1.14 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.13 2kbr h VAL 39 CO 0.70 0.44 -0.39 0.00 0.02 0.00 0.00 177.57 178.33 2kbr h ALA 40 N 1.55 0.97 0.11 1.67 0.00 -1.99 -2.23 119.26 119.33 2kbr h ALA 40 Ca -0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 54.37 2kbr h ALA 40 Cb 1.19 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.94 2kbr h ALA 40 CO 0.06 0.49 -0.78 0.28 0.00 0.00 0.00 179.25 179.30 2kbr h VAL 41 N 0.00 1.49 -0.45 0.00 2.07 -1.96 -2.98 116.25 114.42 2kbr h VAL 41 Ca -0.00 -2.42 -0.06 0.00 0.82 0.00 0.00 66.70 65.03 2kbr h VAL 41 Cb 0.94 3.04 -0.02 0.00 -1.52 0.00 0.00 31.29 33.73 2kbr h VAL 41 CO 0.05 0.69 0.02 0.17 0.02 0.00 0.00 177.57 178.52 2kbr h LEU 42 N -0.29 0.69 -0.41 2.57 8.10 -1.52 -2.43 115.31 122.02 2kbr h LEU 42 Ca -0.13 -0.15 -0.02 0.00 0.11 0.00 0.00 57.88 57.69 2kbr h LEU 42 Cb 1.57 -0.18 -0.02 0.00 -0.44 0.00 0.00 40.66 41.59 2kbr h LEU 42 CO 0.15 0.75 0.16 0.58 -4.11 0.00 0.00 178.44 175.96 2kbr h VAL 43 N 0.69 1.20 0.25 0.15 2.07 -1.49 0.72 116.25 119.84 2kbr h VAL 43 Ca 0.14 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 2kbr h VAL 43 Cb 0.39 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2kbr h VAL 43 CO 0.01 0.23 -0.19 1.23 0.02 0.00 0.00 177.57 178.87 2kbr h GLY 44 N 0.52 -0.45 1.01 2.17 0.00 -1.32 -1.89 103.07 103.10 2kbr h GLY 44 Ca 0.14 0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.69 2kbr h GLY 44 CO -0.01 -0.19 0.56 -0.55 0.00 0.00 0.00 176.54 176.35 2kbr h ASP 45 N -0.45 0.97 -1.00 0.19 5.19 -1.38 -1.92 116.42 118.02 2kbr h ASP 45 Ca -0.01 -0.03 0.15 0.00 -0.62 0.00 0.00 57.03 56.52 2kbr h ASP 45 Cb 0.40 -0.24 -0.09 0.00 0.18 0.00 0.00 39.33 39.57 2kbr h ASP 45 CO -0.01 0.70 0.62 -0.07 -3.12 0.00 0.00 179.24 177.36 2kbr h LEU 46 N 1.14 0.86 0.02 1.55 3.38 -0.48 -1.21 115.31 120.57 2kbr h LEU 46 Ca 0.31 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.35 2kbr h LEU 46 Cb -0.13 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2kbr h LEU 46 CO -0.07 0.39 -0.01 0.11 0.09 0.00 0.00 178.44 178.95 2kbr h LYS 47 N 0.88 -0.03 -0.54 1.13 6.56 -0.58 1.17 116.57 125.16 2kbr h LYS 47 Ca 0.53 0.00 0.16 0.00 -1.06 0.00 0.00 60.65 60.28 2kbr h LYS 47 Cb 0.69 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.33 2kbr h LYS 47 CO -0.32 0.31 0.52 -0.07 -2.06 0.00 0.00 179.45 177.84 2kbr h LEU 48 N -0.37 0.00 0.00 2.94 3.38 -0.81 1.36 115.31 121.81 2kbr h LEU 48 Ca -0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 2kbr h LEU 48 Cb 0.35 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2kbr h LEU 48 CO 0.00 0.00 -2.19 0.52 0.09 0.00 0.00 178.44 176.87 2kbr n VAL 49 N -3.81 1.13 -0.99 1.22 0.31 -0.56 -4.23 118.33 111.39 2kbr n VAL 49 Ca 0.10 -0.77 0.01 0.00 -0.01 0.00 0.00 64.34 63.67 2kbr n VAL 49 Cb 0.74 -0.44 0.35 0.00 -0.91 0.00 0.00 33.84 33.57 2kbr n VAL 49 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2kbr n ILE 50 N -2.69 2.83 -0.27 2.52 5.41 0.40 -4.58 119.36 122.98 2kbr n ILE 50 Ca -0.24 -1.58 0.33 0.00 1.00 0.00 0.00 62.75 62.26 2kbr n ILE 50 Cb 1.01 -0.32 0.71 0.00 -0.71 0.00 0.00 39.64 40.34 2kbr n ILE 50 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2kbr h ASN 51 N 3.18 0.00 -2.91 4.38 -0.26 0.14 -3.39 115.58 116.72 2kbr h ASN 51 Ca 0.13 0.00 -0.62 0.00 -0.56 0.00 0.00 56.30 55.26 2kbr h ASN 51 Cb 2.12 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 39.34 2kbr h ASN 51 CO 0.60 0.00 -0.51 -1.61 -1.06 0.00 0.00 177.43 174.85 2kbr s GLU 52 N -4.80 3.40 0.55 0.81 2.02 -1.26 -5.00 118.70 114.43 2kbr s GLU 52 Ca -0.04 -0.47 0.27 0.00 0.02 0.00 0.00 54.97 54.74 2kbr s GLU 52 Cb 0.21 -3.01 1.61 0.00 0.10 0.00 0.00 34.13 33.03 2kbr s GLU 52 CO 0.72 0.60 2.18 -1.35 0.02 0.00 0.00 175.26 177.42 2kbr h PRO 53 N 3.04 0.00 -0.86 0.39 0.11 -2.00 -2.60 132.00 130.08 2kbr h PRO 53 Ca -0.45 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.71 2kbr h PRO 53 Cb 1.16 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 2kbr h PRO 53 CO 0.75 0.05 0.56 0.77 -0.21 0.00 0.00 178.00 179.92 2kbr h SER 54 N 0.00 0.87 -0.25 -2.05 0.02 -1.94 -0.58 113.55 109.62 2kbr h SER 54 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kbr h SER 54 Cb 0.12 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2kbr h SER 54 CO 0.01 0.57 0.00 0.54 -1.14 0.00 0.00 176.83 176.81 2kbr n ARG 55 N -4.47 2.39 -0.15 3.45 3.00 -0.98 -4.34 116.66 115.56 2kbr n ARG 55 Ca 0.12 -1.25 -0.06 0.00 -0.01 0.00 0.00 57.85 56.65 2kbr n ARG 55 Cb 0.17 -1.68 0.02 0.00 0.00 0.00 0.00 32.46 30.98 2kbr n ARG 55 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2kbr h LEU 56 N 1.67 0.43 -1.39 0.55 3.38 -1.21 -2.56 115.31 116.18 2kbr h LEU 56 Ca 0.00 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.08 2kbr h LEU 56 Cb 0.94 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2kbr h LEU 56 CO 0.16 0.31 0.70 -0.65 0.09 0.00 0.00 178.44 179.05 2kbr h PRO 57 N 0.54 0.00 -0.70 1.13 0.11 -1.81 -1.54 132.00 129.73 2kbr h PRO 57 Ca 0.18 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.40 2kbr h PRO 57 Cb 0.02 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.05 2kbr h PRO 57 CO -0.09 0.00 0.32 -0.07 -0.21 0.00 0.00 178.00 177.96 2kbr h LEU 58 N 0.00 0.39 -0.01 2.35 3.38 -1.80 1.09 115.31 120.70 2kbr h LEU 58 Ca 0.18 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.23 2kbr h LEU 58 Cb 1.58 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.33 2kbr h LEU 58 CO -0.00 0.21 -0.07 -0.26 0.09 0.00 0.00 178.44 178.41 2kbr h PHE 59 N 0.54 -0.18 0.00 1.13 -1.00 -1.50 0.57 116.94 116.51 2kbr h PHE 59 Ca 0.35 0.01 -0.08 0.00 2.81 0.00 0.00 57.97 61.06 2kbr h PHE 59 Cb 0.42 0.08 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 2kbr h PHE 59 CO -0.13 -0.11 -0.39 0.22 -1.61 0.00 0.00 178.31 176.29 2kbr h ASP 60 N -0.12 0.00 -0.00 2.17 1.82 -1.59 -2.36 116.42 116.34 2kbr h ASP 60 Ca 0.03 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.67 2kbr h ASP 60 Cb 0.17 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.18 2kbr h ASP 60 CO -0.09 0.39 -0.00 0.00 -1.61 0.00 0.00 179.24 177.94 2kbr h ALA 61 N 1.61 0.00 -0.03 -0.78 0.00 0.18 -3.31 119.26 116.93 2kbr h ALA 61 Ca -0.00 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.49 2kbr h ALA 61 Cb 1.05 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2kbr h ALA 61 CO 0.05 -0.29 -0.87 0.82 0.00 0.00 0.00 179.25 178.96 2kbr h ILE 62 N -0.40 1.39 -0.78 0.00 2.04 -0.94 -3.35 117.51 115.47 2kbr h ILE 62 Ca 0.00 -2.34 0.13 0.00 1.00 0.00 0.00 64.86 63.65 2kbr h ILE 62 Cb 0.41 2.31 -0.14 0.00 -0.74 0.00 0.00 36.82 38.66 2kbr h ILE 62 CO 0.00 0.70 -0.33 -0.09 0.00 0.00 0.00 178.15 178.43 2kbr h ARG 63 N 0.25 -0.07 -0.63 2.37 2.43 -1.50 -0.60 114.38 116.62 2kbr h ARG 63 Ca -0.06 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.23 2kbr h ARG 63 Cb 1.48 0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 30.93 2kbr h ARG 63 CO 0.15 -0.05 -0.30 -1.35 -1.51 0.00 0.00 179.97 176.91 2kbr h PRO 64 N -0.08 -0.12 0.00 0.20 0.11 -1.70 0.47 132.00 130.89 2kbr h PRO 64 Ca 0.30 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.42 2kbr h PRO 64 Cb 0.58 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.71 2kbr h PRO 64 CO -0.82 -0.08 0.00 1.47 -0.21 0.00 0.00 178.00 178.36 2kbr n LEU 65 N -5.44 0.69 -4.74 2.35 -0.00 -0.65 -4.75 117.00 104.45 2kbr n LEU 65 Ca 0.06 0.63 -0.40 0.00 -0.00 0.00 0.00 56.01 56.29 2kbr n LEU 65 Cb 0.36 -0.48 -0.05 0.00 -0.00 0.00 0.00 43.42 43.25 2kbr n LEU 65 CO 0.00 -0.40 0.55 -0.63 -0.00 0.00 0.00 177.39 176.90 2kbr s ILE 66 N -3.22 4.58 0.23 1.47 1.01 0.16 -4.99 121.20 120.44 2kbr s ILE 66 Ca 0.07 1.81 -0.28 0.00 0.00 0.00 0.00 60.65 62.25 2kbr s ILE 66 Cb 0.11 -4.20 -0.16 0.00 0.01 0.00 0.00 42.46 38.21 2kbr s ILE 66 CO 0.47 0.37 0.59 -2.65 0.00 0.00 0.00 174.94 173.72 2kbr n PRO 67 N 2.60 0.25 -0.25 2.79 -0.01 -1.26 -4.49 135.00 134.62 2kbr n PRO 67 Ca -0.01 0.09 0.06 0.00 -0.01 0.00 0.00 63.50 63.62 2kbr n PRO 67 Cb 0.49 -1.16 0.19 0.00 -0.01 0.00 0.00 33.50 33.02 2kbr n PRO 67 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 175.50 175.42 2kbr h LEU 68 N 1.14 0.15 -0.19 2.45 3.38 -1.92 0.95 115.31 121.28 2kbr h LEU 68 Ca -0.31 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 2kbr h LEU 68 Cb 1.42 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 2kbr h LEU 68 CO 0.57 0.03 -0.01 0.07 0.09 0.00 0.00 178.44 179.19 2kbr h LYS 69 N 0.35 0.34 0.00 1.13 2.10 -2.01 -2.66 116.57 115.82 2kbr h LYS 69 Ca 0.42 -0.11 -0.04 0.00 -2.00 0.00 0.00 60.65 58.91 2kbr h LYS 69 Cb 0.69 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.98 2kbr h LYS 69 CO -0.46 0.56 -0.20 0.45 -2.00 0.00 0.00 179.45 177.80 2kbr h HIS 70 N 0.09 0.00 -0.27 0.07 3.86 -1.57 -2.54 115.15 114.79 2kbr h HIS 70 Ca 0.05 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2kbr h HIS 70 Cb 0.42 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 2kbr h HIS 70 CO 0.04 0.20 0.16 1.96 0.86 0.00 0.00 177.93 181.15 2kbr h GLN 71 N 0.00 0.36 0.68 2.45 4.20 0.12 0.80 115.11 123.73 2kbr h GLN 71 Ca -0.00 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 2kbr h GLN 71 Cb 0.40 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.12 2kbr h GLN 71 CO 0.03 0.29 -0.33 0.28 -0.67 0.00 0.00 178.83 178.43 2kbr h VAL 72 N 0.33 0.30 -0.74 -0.54 2.07 -1.23 -0.87 116.25 115.57 2kbr h VAL 72 Ca 0.10 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.60 2kbr h VAL 72 Cb 0.02 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.07 2kbr h VAL 72 CO -0.02 0.01 0.49 -0.08 0.02 0.00 0.00 177.57 177.99 2kbr h GLU 73 N -0.98 0.69 -0.38 1.57 4.81 -1.39 0.47 114.58 119.36 2kbr h GLU 73 Ca -0.09 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 2kbr h GLU 73 Cb 0.72 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 2kbr h GLU 73 CO 0.15 0.45 0.25 -0.92 -0.73 0.00 0.00 179.01 178.22 2kbr h TYR 74 N 0.71 0.45 -0.13 0.92 3.20 0.10 -0.44 116.97 121.77 2kbr h TYR 74 Ca 0.33 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 62.02 2kbr h TYR 74 Cb 0.38 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.50 2kbr h TYR 74 CO -0.00 0.27 -0.70 0.22 -1.64 0.00 0.00 178.16 176.31 2kbr h ASP 75 N 0.47 0.68 0.42 -2.11 3.58 0.13 -0.61 116.42 118.99 2kbr h ASP 75 Ca 0.15 -0.43 -0.05 0.00 0.42 0.00 0.00 57.03 57.12 2kbr h ASP 75 Cb 0.01 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 2kbr h ASP 75 CO -0.03 1.18 -0.23 1.56 -2.88 0.00 0.00 179.24 178.84 2kbr h GLN 76 N 0.41 0.00 0.00 0.28 4.20 0.19 -3.07 115.11 117.12 2kbr h GLN 76 Ca -0.03 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.53 2kbr h GLN 76 Cb 1.29 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.04 2kbr h GLN 76 CO 0.13 0.23 -1.90 1.28 -0.67 0.00 0.00 178.83 177.90 2kbr n LEU 77 N -3.85 0.27 -0.04 1.46 4.77 -0.60 -4.53 117.00 114.48 2kbr n LEU 77 Ca -0.02 0.11 -0.14 0.00 -0.03 0.00 0.00 56.01 55.93 2kbr n LEU 77 Cb 0.33 0.16 -0.09 0.00 -2.33 0.00 0.00 43.42 41.49 2kbr n LEU 77 CO 0.34 0.17 0.52 0.71 -1.33 0.00 0.00 177.39 177.80 2kbr h THR 78 N 0.00 0.02 -3.94 -5.08 1.35 -1.00 -3.41 112.91 100.85 2kbr h THR 78 Ca -0.20 0.00 -0.49 0.00 -0.55 0.00 0.00 66.41 65.17 2kbr h THR 78 Cb 1.50 0.02 0.03 0.00 -1.73 0.00 0.00 68.15 67.98 2kbr h THR 78 CO 0.02 0.00 0.45 -2.16 -0.25 0.00 0.00 175.52 173.58 2kbr s PRO 79 N -5.73 4.16 0.00 4.72 0.04 -1.26 -5.12 135.00 131.82 2kbr s PRO 79 Ca -0.15 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.53 2kbr s PRO 79 Cb 0.08 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.98 2kbr s PRO 79 CO 0.62 -0.17 0.00 2.89 0.04 0.00 0.00 177.00 180.38