#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 0.65 0.00 7.83 -1.08 -1.26 -3.74 116.67 119.07 2kbr s ASP 2 Ca 0.00 1.16 0.00 0.00 -0.52 0.00 0.00 52.55 53.19 2kbr s ASP 2 Cb 0.00 -1.77 0.00 0.00 -1.46 0.00 0.00 42.92 39.69 2kbr s ASP 2 CO 0.00 -4.35 0.00 0.54 0.52 0.00 0.00 175.17 171.88 2kbr n ARG 3 N -4.98 0.00 -0.16 4.34 5.12 -1.26 -4.35 116.66 115.36 2kbr n ARG 3 Ca 0.07 0.00 0.23 0.00 -1.93 0.00 0.00 57.85 56.22 2kbr n ARG 3 Cb 0.57 0.00 0.63 0.00 -1.16 0.00 0.00 32.46 32.50 2kbr n ARG 3 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2kbr h LYS 4 N 0.00 0.15 -0.95 5.56 1.63 -2.00 0.10 116.57 121.06 2kbr h LYS 4 Ca 0.00 -0.01 0.18 0.00 -0.85 0.00 0.00 60.65 59.97 2kbr h LYS 4 Cb 0.00 -0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 31.51 2kbr h LYS 4 CO 0.00 0.10 0.60 0.28 -3.45 0.00 0.00 179.45 176.98 2kbr h VAL 5 N 0.16 0.74 -0.10 2.00 2.07 -1.76 0.28 116.25 119.64 2kbr h VAL 5 Ca 0.40 -0.22 -0.18 0.00 0.82 0.00 0.00 66.70 67.53 2kbr h VAL 5 Cb 1.34 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2kbr h VAL 5 CO -0.07 0.12 -0.68 0.00 0.02 0.00 0.00 177.57 176.96 2kbr h ALA 6 N 1.61 0.64 -0.42 1.67 0.00 -1.17 -2.18 119.26 119.42 2kbr h ALA 6 Ca 0.51 -0.58 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2kbr h ALA 6 Cb 0.94 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2kbr h ALA 6 CO -0.26 0.74 -0.21 0.00 0.00 0.00 0.00 179.25 179.53 2kbr h ARG 7 N 0.30 0.83 -0.18 0.00 -0.00 -0.50 -0.59 114.38 114.23 2kbr h ARG 7 Ca -0.02 -0.33 -0.13 0.00 -0.50 0.00 0.00 59.98 58.99 2kbr h ARG 7 Cb 1.24 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 31.17 2kbr h ARG 7 CO 0.12 0.96 -0.41 0.93 0.00 0.00 0.00 179.97 181.57 2kbr h GLU 8 N 0.72 0.60 -0.40 0.04 4.39 -0.84 0.45 114.58 119.54 2kbr h GLU 8 Ca 0.10 -0.40 -0.02 0.00 0.34 0.00 0.00 59.36 59.37 2kbr h GLU 8 Cb 0.73 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.42 2kbr h GLU 8 CO 0.06 1.02 0.16 0.35 -1.16 0.00 0.00 179.01 179.44 2kbr h PHE 9 N 0.27 0.62 -0.10 4.33 3.57 -1.33 0.35 116.94 124.65 2kbr h PHE 9 Ca 0.00 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.36 2kbr h PHE 9 Cb 1.02 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.58 2kbr h PHE 9 CO 0.09 0.55 -0.30 0.07 -2.23 0.00 0.00 178.31 176.49 2kbr h ARG 10 N 0.51 0.39 -0.79 1.11 0.11 -1.12 -2.43 114.38 112.16 2kbr h ARG 10 Ca 0.13 -0.28 -0.02 0.00 0.10 0.00 0.00 59.98 59.92 2kbr h ARG 10 Cb 0.19 0.05 -0.04 0.00 1.11 0.00 0.00 29.97 31.28 2kbr h ARG 10 CO -0.01 0.89 0.43 1.25 0.10 0.00 0.00 179.97 182.64 2kbr h HIS 11 N -0.05 1.09 0.36 4.08 2.76 -0.03 -1.71 115.15 121.64 2kbr h HIS 11 Ca -0.01 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 2kbr h HIS 11 Cb 0.92 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 29.53 2kbr h HIS 11 CO 0.11 0.76 -0.17 0.87 -1.30 0.00 0.00 177.93 178.20 2kbr h LYS 12 N 1.10 -0.46 -0.92 5.26 1.79 -0.32 -0.78 116.57 122.23 2kbr h LYS 12 Ca 0.28 0.03 0.16 0.00 -2.18 0.00 0.00 60.65 58.94 2kbr h LYS 12 Cb 0.03 0.10 -0.08 0.00 -1.58 0.00 0.00 32.23 30.71 2kbr h LYS 12 CO -0.04 -0.28 0.59 0.28 -1.08 0.00 0.00 179.45 178.92 2kbr h VAL 13 N -0.52 0.79 0.00 0.50 2.07 -1.26 0.36 116.25 118.18 2kbr h VAL 13 Ca -0.05 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 2kbr h VAL 13 Cb 0.40 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2kbr h VAL 13 CO 0.08 0.12 -0.46 -0.78 0.02 0.00 0.00 177.57 176.56 2kbr h ASP 14 N 0.68 0.00 0.31 0.57 3.58 -0.89 0.25 116.42 120.93 2kbr h ASP 14 Ca 0.48 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.82 2kbr h ASP 14 Cb 0.81 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.85 2kbr h ASP 14 CO -0.24 0.46 -0.46 0.15 -2.88 0.00 0.00 179.24 176.27 2kbr h PHE 15 N 0.00 0.22 0.00 0.28 3.57 0.12 0.30 116.94 121.43 2kbr h PHE 15 Ca -0.00 -0.07 -0.16 0.00 3.53 0.00 0.00 57.97 61.27 2kbr h PHE 15 Cb 0.89 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 2kbr h PHE 15 CO 0.00 0.62 -0.94 -0.07 -2.23 0.00 0.00 178.31 175.69 2kbr h LEU 16 N 0.15 0.00 0.00 0.59 3.38 -1.07 -3.43 115.31 114.94 2kbr h LEU 16 Ca 0.01 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 2kbr h LEU 16 Cb 0.88 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2kbr h LEU 16 CO 0.07 1.28 -0.37 0.40 0.09 0.00 0.00 178.44 179.91 2kbr h ILE 17 N -1.00 0.16 0.00 1.22 1.08 -0.59 -3.47 117.51 114.91 2kbr h ILE 17 Ca -0.24 -1.16 0.00 0.00 -0.39 0.00 0.00 64.86 63.07 2kbr h ILE 17 Cb 1.09 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 35.19 2kbr h ILE 17 CO -0.14 0.05 0.00 1.21 -0.69 0.00 0.00 178.15 178.58 2kbr n GLU 18 N -4.66 -0.52 -2.99 2.37 2.13 0.11 -4.94 120.64 112.14 2kbr n GLU 18 Ca -0.07 0.13 -0.20 0.00 0.66 0.00 0.00 57.16 57.68 2kbr n GLU 18 Cb 0.22 -4.07 0.07 0.00 0.27 0.00 0.00 31.44 27.93 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 -2.19 5.00 -0.11 4.31 -0.87 -1.26 -5.05 114.94 114.76 2kbr s ASN 19 Ca 0.00 -0.81 -0.04 0.00 -1.57 0.00 0.00 52.86 50.44 2kbr s ASN 19 Cb 0.00 0.30 -0.05 0.00 -0.02 0.00 0.00 41.25 41.47 2kbr s ASN 19 CO 0.00 -1.42 -0.13 0.47 -2.57 0.00 0.00 177.10 173.45 2kbr n ASP 20 N -2.32 1.52 -0.28 -1.22 8.00 -1.26 -4.24 116.55 116.75 2kbr n ASP 20 Ca 0.16 0.08 -0.02 0.00 0.71 0.00 0.00 54.79 55.72 2kbr n ASP 20 Cb 0.62 -0.28 0.10 0.00 -0.02 0.00 0.00 41.12 41.54 2kbr n ASP 20 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kbr h ALA 21 N -0.28 1.04 -0.17 2.24 0.00 -1.98 0.40 119.26 120.50 2kbr h ALA 21 Ca -0.27 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 2kbr h ALA 21 Cb 1.28 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2kbr h ALA 21 CO -0.13 0.26 -0.04 0.93 0.00 0.00 0.00 179.25 180.28 2kbr h GLU 22 N 0.93 0.32 -0.15 0.00 3.07 -2.00 -2.31 114.58 114.44 2kbr h GLU 22 Ca 0.32 -0.12 -0.04 0.00 -0.50 0.00 0.00 59.36 59.03 2kbr h GLU 22 Cb 0.07 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 2kbr h GLU 22 CO -0.13 0.58 -0.07 -0.22 -1.40 0.00 0.00 179.01 177.77 2kbr h LYS 23 N 0.03 0.23 0.07 2.33 3.64 -1.64 0.12 116.57 121.35 2kbr h LYS 23 Ca 0.04 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kbr h LYS 23 Cb 0.46 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2kbr h LYS 23 CO 0.02 0.32 -0.03 0.22 -2.27 0.00 0.00 179.45 177.70 2kbr h ASP 24 N 0.23 -0.08 -0.21 4.20 3.58 0.03 0.47 116.42 124.64 2kbr h ASP 24 Ca 0.05 -0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.37 2kbr h ASP 24 Cb 0.28 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 2kbr h ASP 24 CO 0.01 0.04 -0.04 0.22 -2.88 0.00 0.00 179.24 176.59 2kbr h TYR 25 N -0.19 0.45 -0.83 0.28 3.20 -1.01 -0.14 116.97 118.72 2kbr h TYR 25 Ca -0.01 -0.09 0.06 0.00 3.14 0.00 0.00 58.73 61.82 2kbr h TYR 25 Cb 0.16 -0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.27 2kbr h TYR 25 CO -0.04 0.64 0.51 1.25 -1.64 0.00 0.00 178.16 178.88 2kbr h LEU 26 N 0.13 0.81 -1.58 2.82 6.46 -0.69 0.73 115.31 123.99 2kbr h LEU 26 Ca 0.05 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 2kbr h LEU 26 Cb 0.49 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 2kbr h LEU 26 CO 0.02 0.53 0.04 1.88 -0.62 0.00 0.00 178.44 180.29 2kbr h TYR 27 N 0.95 0.31 -0.08 1.25 0.05 0.18 -0.48 116.97 119.14 2kbr h TYR 27 Ca 0.36 -0.01 -0.16 0.00 0.05 0.00 0.00 58.73 58.97 2kbr h TYR 27 Cb 0.14 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 2kbr h TYR 27 CO -0.04 0.29 -0.64 -0.44 -1.05 0.00 0.00 178.16 176.29 2kbr h ASP 28 N 0.31 0.34 0.37 3.88 5.19 0.20 -1.66 116.42 125.05 2kbr h ASP 28 Ca 0.08 -0.20 -0.02 0.00 -0.62 0.00 0.00 57.03 56.27 2kbr h ASP 28 Cb 0.14 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.56 2kbr h ASP 28 CO -0.00 0.89 -0.18 0.58 -3.12 0.00 0.00 179.24 177.40 2kbr h VAL 29 N 0.21 0.64 -0.25 -1.35 2.07 0.18 0.12 116.25 117.86 2kbr h VAL 29 Ca -0.01 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 2kbr h VAL 29 Cb 1.16 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2kbr h VAL 29 CO 0.10 0.06 0.02 -0.07 0.02 0.00 0.00 177.57 177.70 2kbr h LEU 30 N -0.67 0.34 -0.62 2.57 3.38 -1.40 0.18 115.31 119.09 2kbr h LEU 30 Ca -0.05 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 2kbr h LEU 30 Cb 0.48 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2kbr h LEU 30 CO 0.08 0.39 0.09 0.03 0.09 0.00 0.00 178.44 179.12 2kbr h ARG 31 N 0.37 1.04 0.02 1.13 3.08 -1.05 -1.48 114.38 117.48 2kbr h ARG 31 Ca 0.09 -0.29 -0.21 0.00 0.07 0.00 0.00 59.98 59.64 2kbr h ARG 31 Cb 0.22 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 2kbr h ARG 31 CO 0.00 0.97 -0.95 1.98 -1.07 0.00 0.00 179.97 180.91 2kbr h MET 32 N 0.94 0.10 -0.09 0.04 1.85 -0.37 -3.18 114.93 114.23 2kbr h MET 32 Ca 0.19 -0.14 -0.07 0.00 -0.61 0.00 0.00 59.70 59.07 2kbr h MET 32 Cb 0.45 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.51 2kbr h MET 32 CO 0.01 0.97 -0.26 -0.92 -0.40 0.00 0.00 176.91 176.32 2kbr h TYR 33 N 0.05 0.16 -0.21 1.39 3.20 -0.43 -1.15 116.97 119.97 2kbr h TYR 33 Ca -0.04 -0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.68 2kbr h TYR 33 Cb 1.63 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.84 2kbr h TYR 33 CO 0.02 0.40 -0.37 1.25 -1.64 0.00 0.00 178.16 177.82 2kbr h HIS 34 N 0.14 0.56 0.05 -3.82 2.76 -1.25 0.96 115.15 114.54 2kbr h HIS 34 Ca 0.02 -0.15 -0.00 0.00 -2.20 0.00 0.00 60.37 58.04 2kbr h HIS 34 Cb 0.54 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.37 2kbr h HIS 34 CO 0.01 0.79 -0.02 0.37 -1.30 0.00 0.00 177.93 177.77 2kbr h GLN 35 N 0.40 -0.06 -0.00 5.26 5.75 -1.50 -3.36 115.11 121.61 2kbr h GLN 35 Ca 0.04 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.38 2kbr h GLN 35 Cb 0.84 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.38 2kbr h GLN 35 CO 0.07 0.39 -0.79 0.00 -2.65 0.00 0.00 178.83 175.85 2kbr h THR 36 N -0.98 1.56 -5.31 2.39 1.03 -1.31 -3.48 112.91 106.82 2kbr h THR 36 Ca -0.01 -2.68 -0.35 0.00 -0.01 0.00 0.00 66.41 63.37 2kbr h THR 36 Cb 0.48 2.45 0.13 0.00 -1.07 0.00 0.00 68.15 70.13 2kbr h THR 36 CO 0.01 0.77 -0.61 0.23 -0.01 0.00 0.00 175.52 175.90 2kbr n MET 37 N -3.61 -6.99 -3.82 0.00 2.81 0.33 -4.99 117.12 100.85 2kbr n MET 37 Ca -0.01 0.74 -0.37 0.00 -1.81 0.00 0.00 57.70 56.26 2kbr n MET 37 Cb 0.76 -5.52 -0.13 0.00 -0.71 0.00 0.00 33.22 27.62 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 -3.39 5.10 0.50 7.83 1.01 -1.24 -4.96 116.67 121.52 2kbr s ASP 38 Ca 0.46 -1.14 0.27 0.00 0.71 0.00 0.00 52.55 52.85 2kbr s ASP 38 Cb -0.20 -1.80 1.34 0.00 1.01 0.00 0.00 42.92 43.26 2kbr s ASP 38 CO 0.65 -0.28 2.02 0.58 0.21 0.00 0.00 175.17 178.35 2kbr h VAL 39 N 6.26 0.56 0.00 -1.27 2.07 -1.94 -1.95 116.25 119.98 2kbr h VAL 39 Ca -0.23 -0.66 -0.09 0.00 0.82 0.00 0.00 66.70 66.53 2kbr h VAL 39 Cb 1.08 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 2kbr h VAL 39 CO 0.57 0.14 -0.42 0.00 0.02 0.00 0.00 177.57 177.88 2kbr h ALA 40 N 1.86 0.88 0.09 1.67 0.00 -1.99 -2.29 119.26 119.47 2kbr h ALA 40 Ca -0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 2kbr h ALA 40 Cb 0.43 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.16 2kbr h ALA 40 CO 0.02 0.53 -0.61 0.28 0.00 0.00 0.00 179.25 179.46 2kbr h VAL 41 N 0.00 1.55 -0.69 0.00 2.07 -1.79 -2.46 116.25 114.93 2kbr h VAL 41 Ca -0.00 -2.39 -0.06 0.00 0.82 0.00 0.00 66.70 65.06 2kbr h VAL 41 Cb 1.06 3.10 -0.03 0.00 -1.52 0.00 0.00 31.29 33.90 2kbr h VAL 41 CO 0.05 0.67 0.18 0.17 0.02 0.00 0.00 177.57 178.66 2kbr h LEU 42 N -0.43 1.03 -0.47 2.57 8.10 -1.51 -2.43 115.31 122.17 2kbr h LEU 42 Ca -0.10 -0.21 -0.11 0.00 0.11 0.00 0.00 57.88 57.56 2kbr h LEU 42 Cb 1.44 -0.27 -0.01 0.00 -0.44 0.00 0.00 40.66 41.38 2kbr h LEU 42 CO 0.12 0.98 -0.15 0.58 -4.11 0.00 0.00 178.44 175.86 2kbr h VAL 43 N 1.04 1.27 0.19 0.15 2.07 -1.51 -1.92 116.25 117.54 2kbr h VAL 43 Ca 0.22 -1.30 0.01 0.00 0.82 0.00 0.00 66.70 66.45 2kbr h VAL 43 Cb 0.35 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2kbr h VAL 43 CO -0.00 0.45 -0.25 1.23 0.02 0.00 0.00 177.57 179.02 2kbr h GLY 44 N 0.78 -0.51 0.97 2.17 0.00 -1.17 -1.81 103.07 103.49 2kbr h GLY 44 Ca 0.11 0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.74 2kbr h GLY 44 CO 0.05 -0.22 0.37 -0.55 0.00 0.00 0.00 176.54 176.19 2kbr h ASP 45 N -0.50 0.63 -0.97 0.19 3.32 -1.45 -1.82 116.42 115.83 2kbr h ASP 45 Ca 0.01 -0.01 0.20 0.00 0.02 0.00 0.00 57.03 57.25 2kbr h ASP 45 Cb 0.48 -0.15 -0.09 0.00 0.22 0.00 0.00 39.33 39.79 2kbr h ASP 45 CO -0.09 0.46 0.62 -0.07 -1.72 0.00 0.00 179.24 178.43 2kbr h LEU 46 N 0.75 0.60 -0.01 1.55 3.38 -0.99 -0.67 115.31 119.92 2kbr h LEU 46 Ca 0.22 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 2kbr h LEU 46 Cb -0.06 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2kbr h LEU 46 CO -0.06 0.21 -0.01 0.11 0.09 0.00 0.00 178.44 178.79 2kbr h LYS 47 N 0.58 0.02 -0.58 1.13 1.57 -0.51 1.10 116.57 119.88 2kbr h LYS 47 Ca 0.54 -0.01 0.17 0.00 -1.87 0.00 0.00 60.65 59.47 2kbr h LYS 47 Cb 1.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 2kbr h LYS 47 CO -0.29 0.48 0.53 -0.07 -0.57 0.00 0.00 179.45 179.53 2kbr h LEU 48 N -0.44 0.00 0.00 2.94 3.38 -0.63 1.53 115.31 122.09 2kbr h LEU 48 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 2kbr h LEU 48 Cb 0.47 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 2kbr h LEU 48 CO 0.00 0.00 -2.28 0.52 0.09 0.00 0.00 178.44 176.78 2kbr n VAL 49 N -3.89 1.10 -1.06 1.22 0.31 -0.65 -4.29 118.33 111.07 2kbr n VAL 49 Ca 0.11 -0.78 -0.03 0.00 -0.01 0.00 0.00 64.34 63.63 2kbr n VAL 49 Cb 0.75 -0.38 0.30 0.00 -0.91 0.00 0.00 33.84 33.60 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 -2.66 2.83 -0.14 2.52 5.41 0.38 -4.60 119.36 123.10 2kbr n ILE 50 Ca -0.26 -1.74 0.28 0.00 1.00 0.00 0.00 62.75 62.03 2kbr n ILE 50 Cb 1.03 -0.34 0.69 0.00 -0.71 0.00 0.00 39.64 40.31 2kbr n ILE 50 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 2kbr h ASN 51 N 2.54 0.00 -2.92 4.38 -1.24 0.18 -3.39 115.58 115.13 2kbr h ASN 51 Ca 0.22 0.00 -0.62 0.00 0.71 0.00 0.00 56.30 56.60 2kbr h ASN 51 Cb 2.17 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 41.17 2kbr h ASN 51 CO 0.64 0.00 -0.33 -1.61 -1.29 0.00 0.00 177.43 174.84 2kbr s GLU 52 N -4.73 3.68 0.60 6.67 2.02 -1.26 -4.98 118.70 120.70 2kbr s GLU 52 Ca -0.04 0.09 0.37 0.00 0.02 0.00 0.00 54.97 55.41 2kbr s GLU 52 Cb 0.18 -3.12 2.03 0.00 0.10 0.00 0.00 34.13 33.32 2kbr s GLU 52 CO 0.65 0.67 2.14 -1.35 0.02 0.00 0.00 175.26 177.39 2kbr h PRO 53 N 4.32 0.00 -0.57 0.39 0.11 -2.00 -2.08 132.00 132.17 2kbr h PRO 53 Ca -0.51 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 2kbr h PRO 53 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2kbr h PRO 53 CO 0.63 0.00 0.03 1.03 -0.21 0.00 0.00 178.00 179.49 2kbr h SER 54 N 0.00 0.92 -0.25 -2.05 0.87 -1.93 -2.44 113.55 108.67 2kbr h SER 54 Ca 0.00 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 2kbr h SER 54 Cb 0.14 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 2kbr h SER 54 CO 0.00 0.96 0.00 0.54 -0.53 0.00 0.00 176.83 177.80 2kbr n ARG 55 N -4.20 1.65 -0.08 2.24 1.74 -0.78 -4.38 116.66 112.85 2kbr n ARG 55 Ca 0.03 -1.01 -0.08 0.00 -0.77 0.00 0.00 57.85 56.03 2kbr n ARG 55 Cb 0.31 -1.27 -0.01 0.00 -1.02 0.00 0.00 32.46 30.47 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 1.74 -0.87 -1.59 0.55 3.38 -1.49 -2.20 115.31 114.83 2kbr h LEU 56 Ca 0.00 0.16 0.47 0.00 0.09 0.00 0.00 57.88 58.59 2kbr h LEU 56 Cb 0.39 0.41 -0.07 0.00 0.09 0.00 0.00 40.66 41.49 2kbr h LEU 56 CO 0.00 -0.29 1.14 -2.65 0.09 0.00 0.00 178.44 176.73 2kbr n PRO 57 N -5.39 -0.00 -0.23 1.13 -0.01 -1.26 -0.11 135.00 129.12 2kbr n PRO 57 Ca 0.00 0.89 0.01 0.00 -0.01 0.00 0.00 63.50 64.39 2kbr n PRO 57 Cb 0.31 -2.04 0.13 0.00 -0.01 0.00 0.00 33.50 31.89 2kbr n PRO 57 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 175.50 175.42 2kbr h LEU 58 N 0.00 0.31 -0.04 2.45 3.38 -1.74 1.04 115.31 120.71 2kbr h LEU 58 Ca 0.77 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.83 2kbr h LEU 58 Cb 3.05 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 43.82 2kbr h LEU 58 CO -0.03 0.17 -0.06 -0.26 0.09 0.00 0.00 178.44 178.36 2kbr h PHE 59 N 0.48 -0.15 0.00 1.13 0.04 -0.73 0.40 116.94 118.11 2kbr h PHE 59 Ca 0.34 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 61.04 2kbr h PHE 59 Cb 0.41 0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 2kbr h PHE 59 CO -0.15 -0.09 -0.37 -0.44 -0.60 0.00 0.00 178.31 176.66 2kbr h ASP 60 N -0.09 0.00 0.03 2.17 5.19 -1.55 -2.33 116.42 119.85 2kbr h ASP 60 Ca 0.04 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.45 2kbr h ASP 60 Cb 0.14 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.65 2kbr h ASP 60 CO -0.09 0.37 -0.01 0.00 -3.12 0.00 0.00 179.24 176.38 2kbr h ALA 61 N 1.63 -0.04 -0.03 3.45 0.00 0.17 -3.31 119.26 121.13 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 1.01 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2kbr h ALA 61 CO 0.05 -0.32 -0.86 0.82 0.00 0.00 0.00 179.25 178.94 2kbr h ILE 62 N -0.45 1.39 -0.74 0.00 2.04 -0.98 -3.35 117.51 115.43 2kbr h ILE 62 Ca -0.00 -2.34 0.12 0.00 1.00 0.00 0.00 64.86 63.64 2kbr h ILE 62 Cb 0.42 2.30 -0.13 0.00 -0.74 0.00 0.00 36.82 38.67 2kbr h ILE 62 CO 0.01 0.70 -0.36 -0.09 0.00 0.00 0.00 178.15 178.40 2kbr h ARG 63 N 0.25 -0.10 -0.55 2.37 2.43 -1.51 -2.01 114.38 115.26 2kbr h ARG 63 Ca -0.06 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.22 2kbr h ARG 63 Cb 1.48 0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 30.94 2kbr h ARG 63 CO 0.15 -0.07 -0.28 -1.35 -1.51 0.00 0.00 179.97 176.91 2kbr h PRO 64 N -0.11 -0.14 0.00 0.20 0.11 -1.70 0.24 132.00 130.61 2kbr h PRO 64 Ca 0.27 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.35 2kbr h PRO 64 Cb 0.57 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 2kbr h PRO 64 CO -0.79 -0.09 -0.20 1.37 -0.21 0.00 0.00 178.00 178.08 2kbr h LEU 65 N -0.14 0.00 -9.83 2.35 8.10 -1.60 -3.44 115.31 110.75 2kbr h LEU 65 Ca 0.24 0.00 -0.51 0.00 0.11 0.00 0.00 57.88 57.71 2kbr h LEU 65 Cb 0.52 0.00 0.04 0.00 -0.44 0.00 0.00 40.66 40.78 2kbr h LEU 65 CO -0.63 0.20 0.55 -0.51 -4.11 0.00 0.00 178.44 173.93 2kbr s ILE 66 N -4.06 3.16 0.13 0.15 2.07 0.07 -4.92 121.20 117.81 2kbr s ILE 66 Ca -0.02 1.16 -0.28 0.00 -1.41 0.00 0.00 60.65 60.10 2kbr s ILE 66 Cb 0.13 -3.74 -0.16 0.00 0.13 0.00 0.00 42.46 38.82 2kbr s ILE 66 CO 0.62 0.27 0.60 -2.65 -1.91 0.00 0.00 174.94 171.88 2kbr n PRO 67 N 1.11 0.00 -0.32 3.50 -0.01 -1.26 -4.45 135.00 133.57 2kbr n PRO 67 Ca -0.00 0.00 0.18 0.00 -0.01 0.00 0.00 63.50 63.67 2kbr n PRO 67 Cb 0.43 -1.01 0.43 0.00 -0.01 0.00 0.00 33.50 33.34 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 1.40 0.59 -0.12 2.45 3.38 -1.91 0.83 115.31 121.93 2kbr h LEU 68 Ca -0.31 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 2kbr h LEU 68 Cb 1.27 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2kbr h LEU 68 CO 0.52 0.17 -0.27 0.07 0.09 0.00 0.00 178.44 179.02 2kbr h LYS 69 N 0.55 0.39 0.00 1.13 2.10 -2.01 -2.97 116.57 115.76 2kbr h LYS 69 Ca 0.58 -0.26 -0.03 0.00 -2.00 0.00 0.00 60.65 58.93 2kbr h LYS 69 Cb 1.21 0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2kbr h LYS 69 CO -0.33 0.87 -0.16 0.45 -2.00 0.00 0.00 179.45 178.28 2kbr h HIS 70 N -0.03 0.00 0.27 0.07 3.86 -1.27 -2.61 115.15 115.44 2kbr h HIS 70 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2kbr h HIS 70 Cb 0.87 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.34 2kbr h HIS 70 CO 0.11 0.16 -0.13 1.96 0.86 0.00 0.00 177.93 180.89 2kbr h GLN 71 N 0.00 -0.35 -0.02 2.45 4.20 0.73 0.83 115.11 122.95 2kbr h GLN 71 Ca -0.00 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.74 2kbr h GLN 71 Cb 0.43 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 2kbr h GLN 71 CO 0.02 -0.19 -0.04 0.28 -0.67 0.00 0.00 178.83 178.23 2kbr h VAL 72 N -0.42 0.89 -0.69 -0.54 2.07 -1.42 -1.10 116.25 115.04 2kbr h VAL 72 Ca -0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.52 2kbr h VAL 72 Cb 0.32 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 2kbr h VAL 72 CO 0.06 0.00 0.46 -0.08 0.02 0.00 0.00 177.57 178.03 2kbr h GLU 73 N -0.07 0.78 -0.49 1.57 4.81 -1.33 0.43 114.58 120.29 2kbr h GLU 73 Ca 0.02 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 2kbr h GLU 73 Cb 0.10 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 2kbr h GLU 73 CO -0.06 0.52 0.33 -0.92 -0.73 0.00 0.00 179.01 178.15 2kbr h TYR 74 N 0.81 0.45 -0.02 0.92 5.03 0.18 0.52 116.97 124.86 2kbr h TYR 74 Ca 0.28 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.58 2kbr h TYR 74 Cb 0.10 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.23 2kbr h TYR 74 CO -0.00 0.25 -0.09 -0.44 -1.32 0.00 0.00 178.16 176.56 2kbr h ASP 75 N 0.45 0.12 0.55 -2.11 5.19 0.94 0.31 116.42 121.87 2kbr h ASP 75 Ca 0.21 -0.65 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 2kbr h ASP 75 Cb 0.26 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.74 2kbr h ASP 75 CO -0.05 0.74 0.00 1.56 -3.12 0.00 0.00 179.24 178.37 2kbr h GLN 76 N -0.50 0.00 0.01 3.56 1.08 -0.03 0.33 115.11 119.56 2kbr h GLN 76 Ca -0.00 0.00 -0.41 0.00 -1.45 0.00 0.00 58.65 56.79 2kbr h GLN 76 Cb 0.74 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.10 2kbr h GLN 76 CO 0.02 0.00 -2.43 1.28 -0.95 0.00 0.00 178.83 176.75 2kbr n LEU 77 N -2.58 2.63 0.00 1.46 4.77 0.17 -4.15 117.00 119.30 2kbr n LEU 77 Ca 0.00 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2kbr n LEU 77 Cb 0.19 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 2kbr n LEU 77 CO 0.20 0.81 0.00 0.41 -1.33 0.00 0.00 177.39 177.48 2kbr n THR 78 N -3.60 0.00 1.30 -5.08 -1.04 0.11 -4.43 114.28 101.54 2kbr n THR 78 Ca -0.47 0.26 0.11 0.00 -2.04 0.00 0.00 64.05 61.91 2kbr n THR 78 Cb 0.96 -0.96 0.63 0.00 -1.82 0.00 0.00 70.33 69.14 2kbr n THR 78 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2kbr n PRO 79 N -1.56 0.60 -0.76 -2.82 -0.04 -0.95 -5.04 135.00 124.43 2kbr n PRO 79 Ca 0.00 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2kbr n PRO 79 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2kbr n PRO 79 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00