#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbr n ASP 2 N 0.00 -1.51 0.00 7.83 -0.08 -1.26 -4.95 116.55 116.58 2kbr n ASP 2 Ca 0.00 -3.04 0.00 0.00 -1.51 0.00 0.00 54.79 50.24 2kbr n ASP 2 Cb 0.00 1.09 0.00 0.00 2.34 0.00 0.00 41.12 44.55 2kbr n ASP 2 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2kbr n ARG 3 N -0.07 0.00 -0.10 -0.67 5.12 -1.26 -4.80 116.66 114.87 2kbr n ARG 3 Ca 0.04 0.00 0.19 0.00 -1.93 0.00 0.00 57.85 56.15 2kbr n ARG 3 Cb 0.77 -0.59 0.60 0.00 -1.16 0.00 0.00 32.46 32.07 2kbr n ARG 3 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 2kbr h LYS 4 N 0.00 0.21 -0.89 5.56 1.79 -1.99 -0.19 116.57 121.06 2kbr h LYS 4 Ca 0.00 -0.01 0.15 0.00 -2.18 0.00 0.00 60.65 58.60 2kbr h LYS 4 Cb 0.41 -0.05 -0.09 0.00 -1.58 0.00 0.00 32.23 30.92 2kbr h LYS 4 CO 0.00 0.14 0.49 0.28 -1.08 0.00 0.00 179.45 179.28 2kbr h VAL 5 N 0.21 0.76 -0.06 0.50 2.07 -1.96 0.26 116.25 118.04 2kbr h VAL 5 Ca 0.33 -0.24 -0.16 0.00 0.82 0.00 0.00 66.70 67.45 2kbr h VAL 5 Cb 1.00 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2kbr h VAL 5 CO -0.07 0.13 -0.66 0.00 0.02 0.00 0.00 177.57 176.99 2kbr h ALA 6 N 1.56 0.76 -0.49 1.67 0.00 -1.37 -2.14 119.26 119.26 2kbr h ALA 6 Ca 0.48 -0.58 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 2kbr h ALA 6 Cb 0.65 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2kbr h ALA 6 CO -0.34 0.76 -0.18 0.00 0.00 0.00 0.00 179.25 179.49 2kbr h ARG 7 N 0.18 0.97 -0.04 0.00 2.47 -0.50 0.31 114.38 117.77 2kbr h ARG 7 Ca -0.01 -0.39 -0.02 0.00 -1.26 0.00 0.00 59.98 58.30 2kbr h ARG 7 Cb 1.20 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 2kbr h ARG 7 CO 0.10 1.06 -0.07 0.93 0.56 0.00 0.00 179.97 182.55 2kbr h GLU 8 N 0.84 0.11 -0.65 0.04 4.39 -0.60 0.50 114.58 119.22 2kbr h GLU 8 Ca 0.12 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 2kbr h GLU 8 Cb 0.74 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 2kbr h GLU 8 CO 0.06 0.65 0.12 0.35 -1.16 0.00 0.00 179.01 179.02 2kbr h PHE 9 N -0.41 1.11 -0.11 4.33 3.57 -1.39 0.32 116.94 124.37 2kbr h PHE 9 Ca 0.00 -0.14 -0.15 0.00 3.53 0.00 0.00 57.97 61.21 2kbr h PHE 9 Cb 0.64 -0.31 0.01 0.00 2.79 0.00 0.00 35.95 39.08 2kbr h PHE 9 CO 0.12 0.92 -0.53 -0.09 -2.23 0.00 0.00 178.31 176.50 2kbr h ARG 10 N 0.99 0.55 -0.45 1.11 1.12 -0.39 -2.44 114.38 114.87 2kbr h ARG 10 Ca 0.20 -0.45 -0.09 0.00 -1.11 0.00 0.00 59.98 58.53 2kbr h ARG 10 Cb 0.40 0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.44 2kbr h ARG 10 CO 0.01 1.07 -0.09 1.25 -3.11 0.00 0.00 179.97 179.10 2kbr h HIS 11 N 0.16 0.96 0.69 2.20 2.76 0.14 -1.93 115.15 120.14 2kbr h HIS 11 Ca -0.04 -0.20 -0.03 0.00 -2.20 0.00 0.00 60.37 57.90 2kbr h HIS 11 Cb 1.17 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.90 2kbr h HIS 11 CO 0.11 0.95 -0.35 0.87 -1.30 0.00 0.00 177.93 178.21 2kbr h LYS 12 N 0.70 -0.91 -0.91 5.26 1.79 -0.40 0.16 116.57 122.24 2kbr h LYS 12 Ca 0.12 0.06 0.16 0.00 -2.18 0.00 0.00 60.65 58.81 2kbr h LYS 12 Cb 0.62 0.21 -0.08 0.00 -1.58 0.00 0.00 32.23 31.40 2kbr h LYS 12 CO 0.04 -0.61 0.59 0.28 -1.08 0.00 0.00 179.45 178.67 2kbr h VAL 13 N -0.95 0.80 0.00 0.50 2.07 -1.45 0.36 116.25 117.58 2kbr h VAL 13 Ca -0.09 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 2kbr h VAL 13 Cb 0.73 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2kbr h VAL 13 CO 0.14 0.12 -0.48 -0.78 0.02 0.00 0.00 177.57 176.60 2kbr h ASP 14 N 0.67 0.00 0.34 0.57 1.82 -0.91 0.19 116.42 119.10 2kbr h ASP 14 Ca 0.47 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 57.00 2kbr h ASP 14 Cb 0.80 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.80 2kbr h ASP 14 CO -0.23 0.48 -0.46 0.15 -1.61 0.00 0.00 179.24 177.57 2kbr h PHE 15 N 0.00 0.18 0.00 0.28 3.04 0.26 0.21 116.94 120.92 2kbr h PHE 15 Ca -0.00 -0.05 -0.19 0.00 3.98 0.00 0.00 57.97 61.70 2kbr h PHE 15 Cb 0.96 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 39.40 2kbr h PHE 15 CO 0.00 0.59 -1.12 -0.07 -2.02 0.00 0.00 178.31 175.69 2kbr h LEU 16 N 0.13 0.00 0.00 0.59 3.38 -1.12 -3.43 115.31 114.86 2kbr h LEU 16 Ca 0.01 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 2kbr h LEU 16 Cb 0.87 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2kbr h LEU 16 CO 0.07 1.37 -0.28 0.40 0.09 0.00 0.00 178.44 180.08 2kbr h ILE 17 N -1.00 0.02 0.00 1.22 2.04 -0.71 -3.47 117.51 115.61 2kbr h ILE 17 Ca -0.29 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.55 2kbr h ILE 17 Cb 1.17 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2kbr h ILE 17 CO -0.18 0.01 0.00 1.21 0.00 0.00 0.00 178.15 179.19 2kbr n GLU 18 N -4.69 -0.46 -4.06 2.37 2.13 0.74 -4.95 120.64 111.72 2kbr n GLU 18 Ca -0.04 0.12 -0.22 0.00 0.66 0.00 0.00 57.16 57.67 2kbr n GLU 18 Cb 0.15 -3.93 -0.04 0.00 0.27 0.00 0.00 31.44 27.89 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 -2.24 5.35 -0.18 4.31 0.01 -1.26 -5.05 114.94 115.88 2kbr s ASN 19 Ca 0.00 -0.36 -0.02 0.00 -0.71 0.00 0.00 52.86 51.77 2kbr s ASN 19 Cb 0.00 -1.23 -0.22 0.00 0.41 0.00 0.00 41.25 40.20 2kbr s ASN 19 CO 0.00 -0.11 0.11 0.47 -1.51 0.00 0.00 177.10 176.05 2kbr n ASP 20 N -1.20 1.99 0.12 -1.22 9.92 -1.26 -3.60 116.55 121.31 2kbr n ASP 20 Ca -0.06 0.06 -0.13 0.00 -0.53 0.00 0.00 54.79 54.13 2kbr n ASP 20 Cb 0.58 -0.61 -0.06 0.00 -0.64 0.00 0.00 41.12 40.40 2kbr n ASP 20 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kbr h ALA 21 N 0.08 -0.42 -0.39 2.24 0.00 -1.98 0.67 119.26 119.46 2kbr h ALA 21 Ca -0.49 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 2kbr h ALA 21 Cb 1.98 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 20.11 2kbr h ALA 21 CO 0.01 -0.77 0.22 0.93 0.00 0.00 0.00 179.25 179.64 2kbr h GLU 22 N -0.45 0.54 -0.09 0.00 5.08 -2.00 -1.71 114.58 115.96 2kbr h GLU 22 Ca 0.02 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2kbr h GLU 22 Cb 0.46 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2kbr h GLU 22 CO -0.11 0.42 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.04 2kbr h LYS 23 N 0.51 0.12 0.22 2.33 3.64 -1.54 0.16 116.57 122.01 2kbr h LYS 23 Ca 0.14 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2kbr h LYS 23 Cb 0.03 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2kbr h LYS 23 CO -0.02 0.19 -0.11 -0.44 -2.27 0.00 0.00 179.45 176.80 2kbr h ASP 24 N 0.12 -0.25 -0.30 4.20 5.19 0.12 0.51 116.42 126.02 2kbr h ASP 24 Ca 0.03 -0.07 -0.06 0.00 -0.62 0.00 0.00 57.03 56.31 2kbr h ASP 24 Cb 0.19 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.75 2kbr h ASP 24 CO 0.01 -0.09 -0.06 0.22 -3.12 0.00 0.00 179.24 176.20 2kbr h TYR 25 N -0.40 0.64 -0.85 4.55 3.20 -0.99 -0.89 116.97 122.23 2kbr h TYR 25 Ca -0.03 -0.13 0.05 0.00 3.14 0.00 0.00 58.73 61.76 2kbr h TYR 25 Cb 0.31 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.36 2kbr h TYR 25 CO -0.03 0.75 0.53 1.25 -1.64 0.00 0.00 178.16 179.02 2kbr h LEU 26 N 0.35 0.85 -1.65 2.82 5.85 -0.61 0.66 115.31 123.58 2kbr h LEU 26 Ca 0.08 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2kbr h LEU 26 Cb 0.53 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2kbr h LEU 26 CO 0.03 0.56 0.08 1.88 -0.34 0.00 0.00 178.44 180.65 2kbr h TYR 27 N 0.99 0.30 -0.17 1.25 0.05 0.32 -0.17 116.97 119.55 2kbr h TYR 27 Ca 0.36 -0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.99 2kbr h TYR 27 Cb 0.12 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 2kbr h TYR 27 CO -0.03 0.25 -0.54 -0.44 -1.05 0.00 0.00 178.16 176.35 2kbr h ASP 28 N 0.31 0.55 -0.14 3.88 3.32 0.15 -1.99 116.42 122.49 2kbr h ASP 28 Ca 0.08 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 2kbr h ASP 28 Cb 0.08 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2kbr h ASP 28 CO -0.01 0.98 0.08 0.58 -1.72 0.00 0.00 179.24 179.15 2kbr h VAL 29 N 0.38 1.09 -0.66 -1.35 2.07 0.15 -1.95 116.25 116.00 2kbr h VAL 29 Ca 0.01 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 2kbr h VAL 29 Cb 1.07 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 2kbr h VAL 29 CO 0.10 0.09 0.29 -0.07 0.02 0.00 0.00 177.57 178.00 2kbr h LEU 30 N 0.13 0.85 -0.86 2.57 3.38 -1.31 -2.02 115.31 118.05 2kbr h LEU 30 Ca 0.05 -0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.01 2kbr h LEU 30 Cb 0.07 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.53 2kbr h LEU 30 CO -0.01 0.74 0.52 0.03 0.09 0.00 0.00 178.44 179.81 2kbr h ARG 31 N 0.93 0.86 -0.00 1.13 3.08 -0.85 -0.75 114.38 118.78 2kbr h ARG 31 Ca 0.23 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 2kbr h ARG 31 Cb 0.13 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 2kbr h ARG 31 CO -0.03 0.57 0.00 0.52 -1.07 0.00 0.00 179.97 179.96 2kbr h MET 32 N 0.88 0.00 -0.11 0.04 2.86 -0.67 -1.57 114.93 116.36 2kbr h MET 32 Ca 0.41 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 58.08 2kbr h MET 32 Cb 0.32 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 2kbr h MET 32 CO -0.23 0.24 0.21 -0.92 1.06 0.00 0.00 176.91 177.27 2kbr h TYR 33 N -0.24 0.00 0.09 -0.22 3.20 -0.85 0.44 116.97 119.39 2kbr h TYR 33 Ca 0.00 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.71 2kbr h TYR 33 Cb 0.24 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.52 2kbr h TYR 33 CO 0.01 0.00 -0.75 1.25 -1.64 0.00 0.00 178.16 177.03 2kbr h HIS 34 N 0.00 0.35 0.06 -3.82 2.76 -0.62 -2.64 115.15 111.24 2kbr h HIS 34 Ca 0.05 -0.26 -0.00 0.00 -2.20 0.00 0.00 60.37 57.96 2kbr h HIS 34 Cb 0.47 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.41 2kbr h HIS 34 CO 0.00 1.29 -0.03 0.37 -1.30 0.00 0.00 177.93 178.26 2kbr h GLN 35 N -0.56 -0.07 0.10 5.26 -0.00 -0.29 -3.39 115.11 116.16 2kbr h GLN 35 Ca -0.15 0.00 -0.28 0.00 -0.00 0.00 0.00 58.65 58.22 2kbr h GLN 35 Cb 1.48 0.02 0.02 0.00 0.00 0.00 0.00 27.48 29.00 2kbr h GLN 35 CO 0.07 -0.05 -1.19 0.00 0.00 0.00 0.00 178.83 177.66 2kbr h THR 36 N -0.76 1.34 -4.35 2.39 1.03 -0.40 -3.49 112.91 108.68 2kbr h THR 36 Ca -0.01 -2.56 -0.20 0.00 -0.01 0.00 0.00 66.41 63.63 2kbr h THR 36 Cb 0.06 2.69 0.11 0.00 -1.07 0.00 0.00 68.15 69.93 2kbr h THR 36 CO 0.01 0.77 -0.50 0.80 -0.01 0.00 0.00 175.52 176.60 2kbr n MET 37 N -3.74 -3.74 -3.91 0.00 1.56 -0.83 -4.99 117.12 101.48 2kbr n MET 37 Ca -0.11 0.54 -0.35 0.00 -0.27 0.00 0.00 57.70 57.51 2kbr n MET 37 Cb 0.97 -4.57 -0.14 0.00 2.15 0.00 0.00 33.22 31.63 2kbr n MET 37 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2kbr s ASP 38 N -3.76 4.89 0.62 6.12 -1.08 -1.26 -4.96 116.67 117.24 2kbr s ASP 38 Ca 0.05 -1.30 0.38 0.00 -0.52 0.00 0.00 52.55 51.16 2kbr s ASP 38 Cb -0.01 -1.71 2.06 0.00 -1.46 0.00 0.00 42.92 41.80 2kbr s ASP 38 CO 0.46 -0.27 2.26 0.58 0.52 0.00 0.00 175.17 178.73 2kbr h VAL 39 N 6.47 0.18 0.00 1.11 2.07 -1.95 -0.75 116.25 123.38 2kbr h VAL 39 Ca -0.21 -0.14 -0.15 0.00 0.82 0.00 0.00 66.70 67.03 2kbr h VAL 39 Cb 1.06 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 2kbr h VAL 39 CO 0.54 0.02 -0.69 0.00 0.02 0.00 0.00 177.57 177.45 2kbr h ALA 40 N 1.98 0.80 0.06 1.67 0.00 -1.99 -2.42 119.26 119.37 2kbr h ALA 40 Ca -0.00 -0.63 -0.27 0.00 0.00 0.00 0.00 54.91 54.01 2kbr h ALA 40 Cb 0.11 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.81 2kbr h ALA 40 CO 0.00 0.86 -1.12 0.28 0.00 0.00 0.00 179.25 179.27 2kbr h VAL 41 N 0.00 1.33 -0.32 0.00 2.07 -1.57 -2.19 116.25 115.57 2kbr h VAL 41 Ca -0.01 -2.46 -0.04 0.00 0.82 0.00 0.00 66.70 65.02 2kbr h VAL 41 Cb 1.27 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 33.59 2kbr h VAL 41 CO 0.09 0.74 0.04 -0.07 0.02 0.00 0.00 177.57 178.39 2kbr h LEU 42 N 0.28 0.52 -0.50 2.57 3.38 -1.46 -2.15 115.31 117.95 2kbr h LEU 42 Ca -0.14 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.48 2kbr h LEU 42 Cb 1.78 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.38 2kbr h LEU 42 CO 0.21 0.66 0.00 0.58 0.09 0.00 0.00 178.44 179.98 2kbr h VAL 43 N 0.36 1.26 0.48 1.22 2.07 -1.51 -1.36 116.25 118.78 2kbr h VAL 43 Ca 0.10 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 2kbr h VAL 43 Cb 0.37 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2kbr h VAL 43 CO 0.01 0.38 -0.29 1.23 0.02 0.00 0.00 177.57 178.92 2kbr h GLY 44 N 0.75 -0.77 0.98 2.17 0.00 -1.30 -2.18 103.07 102.72 2kbr h GLY 44 Ca 0.14 0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.78 2kbr h GLY 44 CO 0.03 -0.29 0.28 -0.55 0.00 0.00 0.00 176.54 176.01 2kbr h ASP 45 N -0.73 0.63 -0.86 0.19 5.19 -1.42 -2.35 116.42 117.07 2kbr h ASP 45 Ca -0.06 -0.09 0.17 0.00 -0.62 0.00 0.00 57.03 56.44 2kbr h ASP 45 Cb 0.59 -0.16 -0.11 0.00 0.18 0.00 0.00 39.33 39.84 2kbr h ASP 45 CO 0.06 0.53 0.41 -0.07 -3.12 0.00 0.00 179.24 177.06 2kbr h LEU 46 N 0.68 0.44 -0.03 1.55 3.38 -1.13 -0.94 115.31 119.26 2kbr h LEU 46 Ca 0.18 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 2kbr h LEU 46 Cb 0.04 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2kbr h LEU 46 CO -0.03 0.13 -0.00 0.11 0.09 0.00 0.00 178.44 178.74 2kbr h LYS 47 N 0.53 0.05 -0.52 1.13 1.57 -1.01 1.04 116.57 119.36 2kbr h LYS 47 Ca 0.50 -0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.41 2kbr h LYS 47 Cb 0.81 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 2kbr h LYS 47 CO -0.43 0.35 0.52 -0.07 -0.57 0.00 0.00 179.45 179.26 2kbr h LEU 48 N -0.25 0.00 0.00 2.94 3.38 -0.70 1.44 115.31 122.12 2kbr h LEU 48 Ca 0.01 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2kbr h LEU 48 Cb 0.33 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 2kbr h LEU 48 CO 0.00 0.00 -2.27 0.52 0.09 0.00 0.00 178.44 176.78 2kbr n VAL 49 N -3.76 1.18 -1.04 1.22 0.31 -0.57 -4.27 118.33 111.40 2kbr n VAL 49 Ca 0.10 -0.80 -0.03 0.00 -0.01 0.00 0.00 64.34 63.60 2kbr n VAL 49 Cb 0.73 -0.42 0.32 0.00 -0.91 0.00 0.00 33.84 33.56 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 2.87 -0.37 2.52 5.41 0.35 -4.60 119.36 122.85 2kbr n ILE 50 Ca -0.27 -1.66 0.38 0.00 1.00 0.00 0.00 62.75 62.20 2kbr n ILE 50 Cb 1.06 -0.34 0.75 0.00 -0.71 0.00 0.00 39.64 40.40 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 2.79 0.00 -2.91 4.38 -0.26 0.16 -3.39 115.58 116.35 2kbr h ASN 51 Ca 0.21 0.00 -0.65 0.00 -0.56 0.00 0.00 56.30 55.30 2kbr h ASN 51 Cb 2.21 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 39.40 2kbr h ASN 51 CO 0.66 0.00 -0.53 -1.61 -1.06 0.00 0.00 177.43 174.89 2kbr s GLU 52 N -4.89 3.29 0.61 0.81 0.41 -1.26 -4.99 118.70 112.66 2kbr s GLU 52 Ca -0.05 -0.36 0.31 0.00 -0.41 0.00 0.00 54.97 54.46 2kbr s GLU 52 Cb 0.23 -3.01 1.73 0.00 -1.78 0.00 0.00 34.13 31.29 2kbr s GLU 52 CO 0.80 0.68 2.10 -1.35 -0.49 0.00 0.00 175.26 176.99 2kbr h PRO 53 N 4.10 0.00 -0.86 0.39 0.11 -2.00 -1.84 132.00 131.90 2kbr h PRO 53 Ca -0.50 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.66 2kbr h PRO 53 Cb 1.19 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 2kbr h PRO 53 CO 0.65 0.00 0.56 0.66 -0.21 0.00 0.00 178.00 179.66 2kbr h SER 54 N 0.00 0.90 -0.27 -2.05 4.64 -1.94 -0.62 113.55 114.21 2kbr h SER 54 Ca 0.07 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2kbr h SER 54 Cb 0.50 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2kbr h SER 54 CO -0.00 0.61 0.00 0.54 -0.87 0.00 0.00 176.83 177.11 2kbr n ARG 55 N -4.46 2.06 -0.02 4.77 1.74 -0.69 -4.40 116.66 115.67 2kbr n ARG 55 Ca 0.12 -1.16 -0.09 0.00 -0.77 0.00 0.00 57.85 55.95 2kbr n ARG 55 Cb 0.14 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.08 2kbr n ARG 55 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2kbr h LEU 56 N 1.70 -0.61 -1.47 0.55 3.38 -1.20 -2.33 115.31 115.33 2kbr h LEU 56 Ca 0.00 0.11 0.43 0.00 0.09 0.00 0.00 57.88 58.51 2kbr h LEU 56 Cb 0.69 0.29 -0.06 0.00 0.09 0.00 0.00 40.66 41.67 2kbr h LEU 56 CO 0.08 -0.24 1.27 -2.65 0.09 0.00 0.00 178.44 176.99 2kbr n PRO 57 N -5.34 0.01 -0.15 1.13 -0.01 -1.26 -0.08 135.00 129.30 2kbr n PRO 57 Ca -0.02 1.00 0.18 0.00 -0.01 0.00 0.00 63.50 64.65 2kbr n PRO 57 Cb 0.25 -2.40 0.55 0.00 -0.01 0.00 0.00 33.50 31.89 2kbr n PRO 57 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 175.50 176.74 2kbr h LEU 58 N 0.00 0.30 0.05 2.45 6.46 -1.77 0.96 115.31 123.76 2kbr h LEU 58 Ca 0.70 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 58.48 2kbr h LEU 58 Cb 3.23 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 43.13 2kbr h LEU 58 CO -0.01 0.15 -0.02 -0.26 -0.62 0.00 0.00 178.44 177.68 2kbr h PHE 59 N 0.32 -0.06 0.00 1.25 0.04 -0.71 -2.04 116.94 115.74 2kbr h PHE 59 Ca 0.37 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.11 2kbr h PHE 59 Cb 1.00 0.02 -0.00 0.00 2.20 0.00 0.00 35.95 39.16 2kbr h PHE 59 CO -0.00 0.30 -0.14 -0.44 -0.60 0.00 0.00 178.31 177.43 2kbr h ASP 60 N -0.42 0.00 0.09 2.17 5.19 -1.46 -2.32 116.42 119.66 2kbr h ASP 60 Ca -0.01 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2kbr h ASP 60 Cb 0.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.89 2kbr h ASP 60 CO 0.01 0.14 -0.04 0.00 -3.12 0.00 0.00 179.24 176.23 2kbr h ALA 61 N 1.86 -0.12 0.01 3.45 0.00 0.10 -3.32 119.26 121.24 2kbr h ALA 61 Ca -0.00 -0.20 -0.23 0.00 0.00 0.00 0.00 54.91 54.48 2kbr h ALA 61 Cb 0.86 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2kbr h ALA 61 CO 0.02 -0.36 -0.97 0.82 0.00 0.00 0.00 179.25 178.76 2kbr h ILE 62 N -0.53 1.40 -1.10 0.00 2.04 -1.41 -3.34 117.51 114.57 2kbr h ILE 62 Ca -0.01 -2.48 0.32 0.00 1.00 0.00 0.00 64.86 63.69 2kbr h ILE 62 Cb 0.44 2.45 -0.12 0.00 -0.74 0.00 0.00 36.82 38.86 2kbr h ILE 62 CO 0.02 0.74 0.69 0.08 0.00 0.00 0.00 178.15 179.68 2kbr h ARG 63 N 0.23 0.30 0.17 2.37 0.11 -1.51 -1.74 114.38 114.30 2kbr h ARG 63 Ca -0.09 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.98 2kbr h ARG 63 Cb 1.61 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 32.61 2kbr h ARG 63 CO 0.17 0.20 -0.16 -1.35 0.10 0.00 0.00 179.97 178.93 2kbr h PRO 64 N 0.31 -0.34 0.00 0.08 0.11 -1.70 -2.11 132.00 128.35 2kbr h PRO 64 Ca 0.68 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.82 2kbr h PRO 64 Cb 1.80 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.99 2kbr h PRO 64 CO -0.40 -0.23 0.00 1.37 -0.21 0.00 0.00 178.00 178.53 2kbr h LEU 65 N -0.36 0.00 -9.63 2.35 -0.00 -1.64 -3.44 115.31 102.59 2kbr h LEU 65 Ca 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 57.36 2kbr h LEU 65 Cb 0.34 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.01 2kbr h LEU 65 CO -0.04 0.00 0.55 -0.63 -0.00 0.00 0.00 178.44 178.32 2kbr s ILE 66 N -3.54 3.68 0.14 0.15 1.01 -0.71 -4.94 121.20 116.98 2kbr s ILE 66 Ca 0.03 1.37 -0.33 0.00 0.00 0.00 0.00 60.65 61.72 2kbr s ILE 66 Cb 0.08 -3.88 -0.17 0.00 0.01 0.00 0.00 42.46 38.51 2kbr s ILE 66 CO 0.55 0.20 0.95 -2.65 0.00 0.00 0.00 174.94 173.99 2kbr n PRO 67 N 2.76 0.55 -0.04 2.79 -0.02 -1.26 -4.45 135.00 135.33 2kbr n PRO 67 Ca 0.05 0.20 0.24 0.00 -2.02 0.00 0.00 63.50 61.97 2kbr n PRO 67 Cb 0.45 -1.55 0.70 0.00 -0.02 0.00 0.00 33.50 33.08 2kbr n PRO 67 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2kbr h LEU 68 N 2.54 0.00 0.07 2.45 3.38 -1.91 1.07 115.31 122.92 2kbr h LEU 68 Ca -0.41 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.26 2kbr h LEU 68 Cb 1.39 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.12 2kbr h LEU 68 CO 0.65 0.00 -1.65 0.07 0.09 0.00 0.00 178.44 177.60 2kbr h LYS 69 N 0.00 0.15 -0.04 1.13 2.10 -2.00 -3.26 116.57 114.65 2kbr h LYS 69 Ca 0.31 -0.25 -0.16 0.00 -2.00 0.00 0.00 60.65 58.54 2kbr h LYS 69 Cb 1.58 0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 32.99 2kbr h LYS 69 CO -0.00 0.91 -0.71 0.45 -2.00 0.00 0.00 179.45 178.10 2kbr h HIS 70 N 0.04 0.29 -0.49 0.07 3.86 -0.09 -2.67 115.15 116.16 2kbr h HIS 70 Ca -0.28 -0.13 -0.07 0.00 -1.16 0.00 0.00 60.37 58.73 2kbr h HIS 70 Cb 2.00 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 30.41 2kbr h HIS 70 CO 0.04 0.85 0.00 -0.56 0.86 0.00 0.00 177.93 179.12 2kbr h GLN 71 N 0.14 0.81 0.78 2.45 3.07 0.71 0.71 115.11 123.78 2kbr h GLN 71 Ca -0.02 -0.22 -0.04 0.00 0.09 0.00 0.00 58.65 58.46 2kbr h GLN 71 Cb 1.26 -0.09 0.01 0.00 0.08 0.00 0.00 27.48 28.73 2kbr h GLN 71 CO 0.11 0.82 -0.37 0.28 0.09 0.00 0.00 178.83 179.75 2kbr h VAL 72 N 0.76 0.05 -0.67 1.86 2.07 -1.57 -0.79 116.25 117.95 2kbr h VAL 72 Ca 0.15 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.49 2kbr h VAL 72 Cb 0.46 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 2kbr h VAL 72 CO 0.02 0.01 0.44 -0.08 0.02 0.00 0.00 177.57 177.98 2kbr h GLU 73 N -1.25 0.75 -0.54 1.57 4.81 -1.42 0.29 114.58 118.80 2kbr h GLU 73 Ca -0.11 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.16 2kbr h GLU 73 Cb 0.81 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 2kbr h GLU 73 CO 0.17 0.50 0.36 -0.92 -0.73 0.00 0.00 179.01 178.40 2kbr h TYR 74 N 0.78 0.42 -0.15 0.92 3.20 0.64 0.22 116.97 123.00 2kbr h TYR 74 Ca 0.27 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.99 2kbr h TYR 74 Cb 0.11 -0.14 0.01 0.00 1.54 0.00 0.00 36.73 38.25 2kbr h TYR 74 CO -0.00 0.21 -0.56 -0.44 -1.64 0.00 0.00 178.16 175.73 2kbr h ASP 75 N 0.41 0.75 0.47 -2.11 3.32 0.11 -1.93 116.42 117.43 2kbr h ASP 75 Ca 0.24 -0.61 0.00 0.00 0.02 0.00 0.00 57.03 56.68 2kbr h ASP 75 Cb 0.42 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2kbr h ASP 75 CO -0.06 1.24 0.00 1.56 -1.72 0.00 0.00 179.24 180.26 2kbr h GLN 76 N 0.31 0.00 0.09 3.56 4.20 -0.09 -1.71 115.11 121.48 2kbr h GLN 76 Ca -0.03 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.32 2kbr h GLN 76 Cb 1.19 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.94 2kbr h GLN 76 CO 0.12 0.00 -2.06 1.28 -0.67 0.00 0.00 178.83 177.49 2kbr n LEU 77 N -2.49 2.46 0.00 1.46 4.77 -0.12 -4.83 117.00 118.26 2kbr n LEU 77 Ca 0.00 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2kbr n LEU 77 Cb 0.16 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 2kbr n LEU 77 CO 0.18 0.82 0.00 0.35 -1.33 0.00 0.00 177.39 177.41 2kbr n THR 78 N -3.38 0.00 -1.95 -5.08 -2.24 -0.75 -4.96 114.28 95.92 2kbr n THR 78 Ca -0.33 0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 2kbr n THR 78 Cb 1.04 -1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.00 2kbr n THR 78 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2kbr s PRO 79 N -0.52 4.19 0.00 -0.78 0.04 -0.66 -5.06 135.00 132.21 2kbr s PRO 79 Ca 0.00 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.32 2kbr s PRO 79 Cb 0.00 -3.76 0.00 0.00 0.04 0.00 0.00 34.50 30.78 2kbr s PRO 79 CO 0.00 -0.78 0.43 0.54 0.04 0.00 0.00 177.00 177.24