#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcv s ASP 2 N 0.00 6.91 0.00 1.62 1.11 -1.26 -4.91 116.67 120.14 2kcv s ASP 2 Ca 0.00 2.30 0.14 0.00 0.18 0.00 0.00 52.55 55.17 2kcv s ASP 2 Cb 0.00 -2.60 0.84 0.00 1.07 0.00 0.00 42.92 42.24 2kcv s ASP 2 CO 0.00 -0.55 1.29 -0.81 1.18 0.00 0.00 175.17 176.28 2kcv n PRO 3 N 3.31 0.60 0.07 8.23 -0.04 -1.26 -1.81 135.00 144.09 2kcv n PRO 3 Ca 0.08 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.45 2kcv n PRO 3 Cb 0.43 -1.37 -0.13 0.00 -0.04 0.00 0.00 33.50 32.40 2kcv n PRO 3 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2kcv h GLU 4 N 0.00 0.07 -6.90 0.54 5.08 -1.98 -3.40 114.58 107.99 2kcv h GLU 4 Ca 0.00 -0.11 -0.50 0.00 -1.00 0.00 0.00 59.36 57.75 2kcv h GLU 4 Cb 0.00 0.04 0.03 0.00 0.50 0.00 0.00 28.75 29.32 2kcv h GLU 4 CO 0.00 1.04 0.47 -0.51 -1.00 0.00 0.00 179.01 179.00 2kcv s ASP 5 N -6.79 6.84 0.06 1.42 1.11 -0.75 -4.94 116.67 113.61 2kcv s ASP 5 Ca -0.01 2.23 -0.21 0.00 0.18 0.00 0.00 52.55 54.75 2kcv s ASP 5 Cb 0.09 -2.61 -0.09 0.00 1.07 0.00 0.00 42.92 41.38 2kcv s ASP 5 CO 0.84 -0.44 1.33 -0.65 1.18 0.00 0.00 175.17 177.42 2kcv h PRO 6 N 2.99 -0.44 -0.50 8.23 0.11 -1.91 -2.19 132.00 138.28 2kcv h PRO 6 Ca -0.48 0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 2kcv h PRO 6 Cb 1.22 0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 2kcv h PRO 6 CO 0.64 -0.29 0.14 0.35 -0.21 0.00 0.00 178.00 178.63 2kcv h PHE 7 N -0.45 0.77 0.02 0.65 3.57 -1.95 -0.45 116.94 119.10 2kcv h PHE 7 Ca -0.00 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 2kcv h PHE 7 Cb 0.45 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.96 2kcv h PHE 7 CO -0.38 0.64 -0.01 1.15 -2.23 0.00 0.00 178.31 177.48 2kcv h THR 8 N 0.73 1.16 0.00 4.41 2.02 -1.82 -1.33 112.91 118.08 2kcv h THR 8 Ca 0.17 -0.55 -0.07 0.00 0.77 0.00 0.00 66.41 66.73 2kcv h THR 8 Cb 0.24 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 2kcv h THR 8 CO -0.01 0.14 -0.35 0.08 0.37 0.00 0.00 175.52 175.75 2kcv h ARG 9 N -0.26 0.00 0.14 6.66 0.11 -1.22 -0.69 114.38 119.12 2kcv h ARG 9 Ca -0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2kcv h ARG 9 Cb 0.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.33 2kcv h ARG 9 CO 0.00 0.35 -0.07 -0.92 0.10 0.00 0.00 179.97 179.44 2kcv h TYR 10 N 0.00 -0.17 -0.30 4.08 3.20 -1.00 0.19 116.97 122.97 2kcv h TYR 10 Ca -0.00 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 2kcv h TYR 10 Cb 0.98 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.29 2kcv h TYR 10 CO 0.00 0.07 -0.11 0.00 -1.64 0.00 0.00 178.16 176.48 2kcv h ALA 11 N 0.43 1.26 -0.59 1.82 0.00 -1.13 -1.90 119.26 119.16 2kcv h ALA 11 Ca -0.02 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 2kcv h ALA 11 Cb 0.32 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2kcv h ALA 11 CO 0.03 0.49 0.04 1.25 0.00 0.00 0.00 179.25 181.06 2kcv h LEU 12 N 0.46 0.96 -0.76 0.00 5.85 -1.10 -1.75 115.31 118.98 2kcv h LEU 12 Ca 0.09 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.48 2kcv h LEU 12 Cb 0.47 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2kcv h LEU 12 CO 0.03 0.99 0.00 0.00 -0.34 0.00 0.00 178.44 179.12 2kcv h ALA 13 N 1.11 0.96 -0.70 1.25 0.00 -0.44 -0.77 119.26 120.67 2kcv h ALA 13 Ca 0.18 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2kcv h ALA 13 Cb 0.48 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2kcv h ALA 13 CO 0.02 0.63 0.20 1.96 0.00 0.00 0.00 179.25 182.06 2kcv h GLN 14 N 0.87 1.10 -0.73 0.00 4.20 -1.18 -1.27 115.11 118.11 2kcv h GLN 14 Ca 0.16 -0.24 0.01 0.00 0.06 0.00 0.00 58.65 58.63 2kcv h GLN 14 Cb 0.51 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.10 2kcv h GLN 14 CO 0.03 0.95 0.48 0.93 -0.67 0.00 0.00 178.83 180.55 2kcv h GLU 15 N 1.05 0.97 -0.91 1.46 4.39 -0.90 -1.86 114.58 118.78 2kcv h GLU 15 Ca 0.23 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 2kcv h GLU 15 Cb 0.33 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 2kcv h GLU 15 CO -0.00 0.64 0.52 0.45 -1.16 0.00 0.00 179.01 179.46 2kcv h HIS 16 N 1.00 1.23 -0.77 4.33 3.86 -0.78 -0.57 115.15 123.44 2kcv h HIS 16 Ca 0.27 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.45 2kcv h HIS 16 Cb -0.11 -0.40 -0.04 0.00 1.06 0.00 0.00 27.41 27.92 2kcv h HIS 16 CO -0.02 0.84 0.44 -0.07 0.86 0.00 0.00 177.93 179.97 2kcv h LEU 17 N 1.27 0.95 -0.83 2.43 3.38 -0.81 0.36 115.31 122.06 2kcv h LEU 17 Ca 0.32 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 58.10 2kcv h LEU 17 Cb -0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2kcv h LEU 17 CO -0.06 0.75 -0.45 0.11 0.09 0.00 0.00 178.44 178.88 2kcv h LYS 18 N 1.08 0.30 -0.59 1.13 1.57 -0.83 -2.83 116.57 116.39 2kcv h LYS 18 Ca 0.28 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2kcv h LYS 18 Cb 0.01 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2kcv h LYS 18 CO -0.05 0.70 0.00 0.72 -0.57 0.00 0.00 179.45 180.25 2kcv n HIS 19 N -3.99 0.89 -0.87 -1.35 8.25 -0.27 -4.92 115.22 112.96 2kcv n HIS 19 Ca -0.02 -0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 2kcv n HIS 19 Cb 0.52 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.46 2kcv n HIS 19 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2kcv n ASP 20 N 0.58 -2.07 -3.48 0.41 2.03 -0.69 -4.90 116.55 108.43 2kcv n ASP 20 Ca 0.15 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.06 2kcv n ASP 20 Cb 0.58 -1.53 -0.01 0.00 -0.72 0.00 0.00 41.12 39.43 2kcv n ASP 20 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2kcv n ASN 21 N -0.22 7.50 -0.23 1.67 5.03 0.12 -4.70 115.26 124.42 2kcv n ASN 21 Ca 0.00 -2.85 -0.07 0.00 0.87 0.00 0.00 54.58 52.53 2kcv n ASN 21 Cb 0.11 -1.50 0.04 0.00 -1.02 0.00 0.00 39.78 37.41 2kcv n ASN 21 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kcv h ALA 22 N 5.08 0.86 -0.97 5.41 0.00 -1.88 -1.27 119.26 126.48 2kcv h ALA 22 Ca 0.73 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2kcv h ALA 22 Cb 0.37 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2kcv h ALA 22 CO 1.68 0.52 0.62 0.66 0.00 0.00 0.00 179.25 182.73 2kcv h SER 23 N 0.94 1.13 0.02 0.00 4.64 -1.95 0.01 113.55 118.35 2kcv h SER 23 Ca 0.21 -0.04 -0.24 0.00 -0.47 0.00 0.00 61.79 61.25 2kcv h SER 23 Cb 0.27 -0.28 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2kcv h SER 23 CO -0.01 0.83 -0.93 0.03 -0.87 0.00 0.00 176.83 175.89 2kcv h ARG 24 N 1.32 0.67 -0.62 4.77 2.47 -1.90 -2.99 114.38 118.11 2kcv h ARG 24 Ca 0.35 -0.65 -0.02 0.00 -1.26 0.00 0.00 59.98 58.40 2kcv h ARG 24 Cb -0.12 0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.34 2kcv h ARG 24 CO -0.07 1.25 0.30 0.00 0.56 0.00 0.00 179.97 182.01 2kcv h ALA 25 N 0.54 1.37 0.11 0.04 0.00 -1.10 -2.88 119.26 117.35 2kcv h ALA 25 Ca -0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2kcv h ALA 25 Cb 1.57 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2kcv h ALA 25 CO 0.18 0.50 -0.05 1.25 0.00 0.00 0.00 179.25 181.12 2kcv h LEU 26 N 0.87 -0.13 -0.82 0.00 5.85 -0.90 -1.36 115.31 118.82 2kcv h LEU 26 Ca 0.22 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.95 2kcv h LEU 26 Cb 0.08 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 2kcv h LEU 26 CO -0.03 -0.04 0.50 0.00 -0.34 0.00 0.00 178.44 178.53 2kcv h ALA 27 N 0.67 1.11 -0.63 1.25 0.00 -1.47 -0.72 119.26 119.48 2kcv h ALA 27 Ca -0.02 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2kcv h ALA 27 Cb 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2kcv h ALA 27 CO 0.03 0.25 0.04 -0.07 0.00 0.00 0.00 179.25 179.49 2kcv h LEU 28 N 0.93 1.05 -0.37 0.00 3.38 -1.26 -0.52 115.31 118.51 2kcv h LEU 28 Ca 0.35 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 2kcv h LEU 28 Cb 0.15 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2kcv h LEU 28 CO -0.16 1.07 -0.20 -0.26 0.09 0.00 0.00 178.44 178.98 2kcv h PHE 29 N 0.99 0.91 -0.36 1.13 0.04 -0.88 -1.89 116.94 116.88 2kcv h PHE 29 Ca 0.18 -0.23 -0.04 0.00 2.80 0.00 0.00 57.97 60.69 2kcv h PHE 29 Cb 0.51 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 2kcv h PHE 29 CO 0.04 0.98 0.07 0.93 -0.60 0.00 0.00 178.31 179.73 2kcv h GLU 30 N 0.58 0.54 -0.66 1.51 5.08 -1.08 -2.24 114.58 118.31 2kcv h GLU 30 Ca 0.08 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2kcv h GLU 30 Cb 0.75 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 2kcv h GLU 30 CO 0.06 0.51 0.23 1.49 -1.00 0.00 0.00 179.01 180.30 2kcv h GLU 31 N 0.53 1.01 -0.40 2.33 4.57 -0.90 -2.29 114.58 119.43 2kcv h GLU 31 Ca 0.12 -0.20 0.02 0.00 -1.18 0.00 0.00 59.36 58.12 2kcv h GLU 31 Cb 0.23 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 2kcv h GLU 31 CO -0.00 0.87 0.23 -0.07 -1.18 0.00 0.00 179.01 178.86 2kcv h LEU 32 N 0.95 0.38 0.80 1.64 3.38 -0.91 -2.77 115.31 118.79 2kcv h LEU 32 Ca 0.22 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 2kcv h LEU 32 Cb 0.26 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.94 2kcv h LEU 32 CO -0.01 0.27 -0.38 0.58 0.09 0.00 0.00 178.44 178.99 2kcv h VAL 33 N 0.48 0.20 -0.84 1.22 2.07 -1.20 0.17 116.25 118.35 2kcv h VAL 33 Ca 0.16 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 2kcv h VAL 33 Cb 0.01 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 29.94 2kcv h VAL 33 CO -0.07 0.00 0.52 1.05 0.02 0.00 0.00 177.57 179.09 2kcv h GLU 34 N -1.10 1.13 0.01 1.57 4.11 -1.42 -2.37 114.58 116.51 2kcv h GLU 34 Ca -0.11 -0.09 -0.34 0.00 0.07 0.00 0.00 59.36 58.89 2kcv h GLU 34 Cb 0.83 -0.24 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 2kcv h GLU 34 CO 0.18 0.78 -2.05 0.25 0.07 0.00 0.00 179.01 178.24 2kcv n THR 35 N -4.38 1.54 -3.33 -1.06 -2.24 -1.05 -4.70 114.28 99.06 2kcv n THR 35 Ca 0.09 -0.78 -0.26 0.00 -2.27 0.00 0.00 64.05 60.83 2kcv n THR 35 Cb 0.05 -0.94 -0.08 0.00 -2.10 0.00 0.00 70.33 67.26 2kcv n THR 35 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2kcv n ASP 36 N -3.01 1.81 0.00 3.42 8.00 0.05 -4.97 116.55 121.85 2kcv n ASP 36 Ca -0.27 -3.02 0.09 0.00 0.71 0.00 0.00 54.79 52.31 2kcv n ASP 36 Cb 1.08 -0.65 0.55 0.00 -0.02 0.00 0.00 41.12 42.08 2kcv n ASP 36 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2kcv n PRO 37 N 1.27 0.58 -0.00 -0.24 -0.04 -0.90 -2.30 135.00 133.37 2kcv n PRO 37 Ca 0.25 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.82 2kcv n PRO 37 Cb 0.47 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.29 2kcv n PRO 37 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kcv n ASP 38 N -1.01 0.27 -4.55 3.54 8.00 -1.26 -4.88 116.55 116.65 2kcv n ASP 38 Ca 0.14 -0.19 -0.39 0.00 0.71 0.00 0.00 54.79 55.06 2kcv n ASP 38 Cb 0.07 1.67 -0.03 0.00 -0.02 0.00 0.00 41.12 42.80 2kcv n ASP 38 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2kcv s TYR 39 N -3.39 1.77 0.20 1.24 5.04 -0.97 -4.78 117.35 116.45 2kcv s TYR 39 Ca -0.04 0.67 -0.03 0.00 -2.44 0.00 0.00 57.07 55.23 2kcv s TYR 39 Cb 0.14 -4.16 0.15 0.00 0.35 0.00 0.00 41.96 38.44 2kcv s TYR 39 CO 0.89 -2.30 1.55 0.28 -1.34 0.00 0.00 175.55 174.63 2kcv h VAL 40 N 6.76 1.30 -0.13 3.14 2.07 -1.89 -3.19 116.25 124.31 2kcv h VAL 40 Ca -0.27 -1.63 0.04 0.00 0.82 0.00 0.00 66.70 65.66 2kcv h VAL 40 Cb 1.15 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 2kcv h VAL 40 CO 1.21 0.52 0.10 1.23 0.02 0.00 0.00 177.57 180.65 2kcv h GLY 41 N 1.02 0.00 0.68 2.17 0.00 -1.99 -1.31 103.07 103.64 2kcv h GLY 41 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2kcv h GLY 41 CO 0.09 0.00 -0.40 -0.84 0.00 0.00 0.00 176.54 175.39 2kcv h THR 42 N 0.00 0.20 -0.87 4.70 2.02 -1.95 -3.29 112.91 113.73 2kcv h THR 42 Ca 0.06 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.25 2kcv h THR 42 Cb 0.27 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 2kcv h THR 42 CO -0.00 0.00 0.57 1.88 0.37 0.00 0.00 175.52 178.34 2kcv h TYR 43 N -0.87 1.09 0.35 3.16 0.05 -1.39 0.39 116.97 119.75 2kcv h TYR 43 Ca -0.05 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 2kcv h TYR 43 Cb 0.75 -0.37 -0.00 0.00 1.01 0.00 0.00 36.73 38.12 2kcv h TYR 43 CO -0.18 0.68 -0.24 -0.92 -1.05 0.00 0.00 178.16 176.45 2kcv h TYR 44 N 1.17 -0.66 -0.10 4.88 3.20 -1.68 -2.18 116.97 121.61 2kcv h TYR 44 Ca 0.32 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.15 2kcv h TYR 44 Cb -0.13 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 2kcv h TYR 44 CO -0.00 -0.35 -0.11 0.45 -1.64 0.00 0.00 178.16 176.50 2kcv h HIS 45 N -0.57 0.15 -0.19 -3.82 3.86 -1.47 -0.51 115.15 112.61 2kcv h HIS 45 Ca -0.05 -0.01 -0.18 0.00 -1.16 0.00 0.00 60.37 58.97 2kcv h HIS 45 Cb 0.46 -0.04 0.01 0.00 1.06 0.00 0.00 27.41 28.89 2kcv h HIS 45 CO -0.04 0.27 -0.58 1.25 0.86 0.00 0.00 177.93 179.69 2kcv h LEU 46 N 0.14 0.83 -0.41 2.43 5.85 -1.02 -1.94 115.31 121.20 2kcv h LEU 46 Ca 0.03 -0.59 -0.10 0.00 0.84 0.00 0.00 57.88 58.06 2kcv h LEU 46 Cb 0.30 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2kcv h LEU 46 CO 0.02 1.28 -0.12 1.23 -0.34 0.00 0.00 178.44 180.50 2kcv h GLY 47 N 0.43 0.87 0.97 3.75 0.00 -0.76 -1.32 103.07 107.02 2kcv h GLY 47 Ca -0.02 -0.74 0.03 0.00 0.00 0.00 0.00 47.33 46.60 2kcv h GLY 47 CO 0.12 0.67 0.63 0.50 0.00 0.00 0.00 176.54 178.47 2kcv h LYS 48 N 0.62 1.20 -0.51 4.80 1.79 -1.13 -1.82 116.57 121.52 2kcv h LYS 48 Ca 0.10 -0.07 -0.11 0.00 -2.18 0.00 0.00 60.65 58.38 2kcv h LYS 48 Cb 0.66 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 31.02 2kcv h LYS 48 CO 0.05 0.80 -0.13 1.25 -1.08 0.00 0.00 179.45 180.33 2kcv h LEU 49 N 1.24 1.00 -0.76 2.94 5.85 -1.18 -2.85 115.31 121.55 2kcv h LEU 49 Ca 0.37 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.78 2kcv h LEU 49 Cb -0.04 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.66 2kcv h LEU 49 CO -0.10 1.13 0.47 1.88 -0.34 0.00 0.00 178.44 181.47 2kcv h TYR 50 N 0.86 0.86 -0.69 1.25 0.05 -0.67 -2.45 116.97 116.18 2kcv h TYR 50 Ca 0.13 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.95 2kcv h TYR 50 Cb 0.70 -0.28 -0.04 0.00 1.01 0.00 0.00 36.73 38.12 2kcv h TYR 50 CO 0.05 0.46 0.46 0.93 -1.05 0.00 0.00 178.16 179.01 2kcv h GLU 51 N 0.88 0.89 -0.74 4.88 5.08 -1.16 0.18 114.58 124.58 2kcv h GLU 51 Ca 0.32 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 2kcv h GLU 51 Cb 0.10 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 2kcv h GLU 51 CO -0.15 0.59 0.35 0.00 -1.00 0.00 0.00 179.01 178.81 2kcv h ARG 52 N 0.91 1.05 -0.15 2.33 3.08 -1.23 -2.46 114.38 117.91 2kcv h ARG 52 Ca 0.26 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2kcv h ARG 52 Cb -0.07 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.79 2kcv h ARG 52 CO -0.06 0.81 0.00 1.28 -1.07 0.00 0.00 179.97 180.93 2kcv n LEU 53 N -4.33 0.91 -1.35 3.04 4.77 -0.65 -4.88 117.00 114.51 2kcv n LEU 53 Ca 0.07 -0.44 -0.18 0.00 -0.03 0.00 0.00 56.01 55.44 2kcv n LEU 53 Cb 0.13 -0.10 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 2kcv n LEU 53 CO 0.39 0.22 -0.17 -0.67 -1.33 0.00 0.00 177.39 175.83 2kcv n ASP 54 N -0.05 -5.46 -2.62 -1.43 2.03 -0.93 -4.90 116.55 103.21 2kcv n ASP 54 Ca 0.08 0.43 -0.29 0.00 0.52 0.00 0.00 54.79 55.53 2kcv n ASP 54 Cb 0.16 -4.50 -0.04 0.00 -0.72 0.00 0.00 41.12 36.01 2kcv n ASP 54 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kcv n ARG 55 N -2.04 2.63 0.12 -0.67 5.12 0.52 -4.71 116.66 117.64 2kcv n ARG 55 Ca -0.18 -2.56 0.05 0.00 -1.93 0.00 0.00 57.85 53.23 2kcv n ARG 55 Cb 0.63 -2.20 0.48 0.00 -1.16 0.00 0.00 32.46 30.21 2kcv n ARG 55 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 2kcv h THR 56 N 2.05 1.10 -0.24 0.55 2.02 -1.86 -0.98 112.91 115.55 2kcv h THR 56 Ca 0.43 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 2kcv h THR 56 Cb 0.62 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 2kcv h THR 56 CO 0.98 0.12 0.05 -0.78 0.37 0.00 0.00 175.52 176.26 2kcv h ASP 57 N 0.28 0.37 -0.07 4.18 3.58 -1.94 -1.66 116.42 121.16 2kcv h ASP 57 Ca 0.07 -0.24 -0.05 0.00 0.42 0.00 0.00 57.03 57.23 2kcv h ASP 57 Cb 0.11 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 2kcv h ASP 57 CO -0.00 0.52 -0.08 0.44 -2.88 0.00 0.00 179.24 177.24 2kcv h ASP 58 N 0.20 0.32 0.05 2.28 3.32 -1.73 -2.44 116.42 118.43 2kcv h ASP 58 Ca 0.07 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2kcv h ASP 58 Cb 0.30 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2kcv h ASP 58 CO 0.00 0.44 -0.03 0.00 -1.72 0.00 0.00 179.24 177.94 2kcv h ALA 59 N 1.60 -0.07 -0.70 3.45 0.00 -0.98 -1.95 119.26 120.61 2kcv h ALA 59 Ca 0.07 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.04 2kcv h ALA 59 Cb 0.35 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 2kcv h ALA 59 CO 0.02 -0.51 0.30 0.82 0.00 0.00 0.00 179.25 179.89 2kcv h ILE 60 N -0.14 0.76 -0.03 0.00 1.08 -0.85 -0.32 117.51 118.01 2kcv h ILE 60 Ca -0.01 -0.17 -0.00 0.00 -0.39 0.00 0.00 64.86 64.29 2kcv h ILE 60 Cb 0.12 0.22 -0.00 0.00 -3.07 0.00 0.00 36.82 34.09 2kcv h ILE 60 CO 0.01 0.09 0.02 -0.78 -0.69 0.00 0.00 178.15 176.80 2kcv h ASP 61 N 0.50 0.04 -0.00 1.72 3.58 -1.40 -1.82 116.42 119.03 2kcv h ASP 61 Ca 0.36 -0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.68 2kcv h ASP 61 Cb 0.47 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 2kcv h ASP 61 CO -0.33 0.11 -0.14 0.74 -2.88 0.00 0.00 179.24 176.75 2kcv h THR 62 N -0.03 1.19 -0.22 2.25 2.02 -0.52 0.03 112.91 117.63 2kcv h THR 62 Ca 0.01 -0.85 -0.16 0.00 0.77 0.00 0.00 66.41 66.18 2kcv h THR 62 Cb 0.08 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2kcv h THR 62 CO -0.00 0.27 -0.49 1.88 0.37 0.00 0.00 175.52 177.54 2kcv h TYR 63 N 0.27 0.92 -0.63 3.16 0.05 -1.00 -1.17 116.97 118.57 2kcv h TYR 63 Ca 0.05 -0.34 -0.05 0.00 0.05 0.00 0.00 58.73 58.44 2kcv h TYR 63 Cb 0.41 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.95 2kcv h TYR 63 CO 0.01 1.14 0.20 0.00 -1.05 0.00 0.00 178.16 178.46 2kcv h ALA 64 N 0.61 1.17 -0.61 3.88 0.00 -0.85 0.10 119.26 123.56 2kcv h ALA 64 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2kcv h ALA 64 Cb 1.10 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2kcv h ALA 64 CO 0.11 0.58 0.34 1.96 0.00 0.00 0.00 179.25 182.24 2kcv h GLN 65 N 0.93 0.85 -0.58 0.00 1.08 -0.98 -2.89 115.11 113.52 2kcv h GLN 65 Ca 0.21 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2kcv h GLN 65 Cb 0.26 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 2kcv h GLN 65 CO -0.01 0.64 0.37 0.78 -0.95 0.00 0.00 178.83 179.67 2kcv h GLY 66 N 0.83 0.83 0.61 3.46 0.00 -0.58 -3.22 103.07 105.00 2kcv h GLY 66 Ca 0.22 -0.33 0.07 0.00 0.00 0.00 0.00 47.33 47.29 2kcv h GLY 66 CO -0.03 0.32 0.39 -2.22 0.00 0.00 0.00 176.54 174.99 2kcv h ILE 67 N 0.79 0.93 -0.34 2.60 2.04 -0.60 0.43 117.51 123.36 2kcv h ILE 67 Ca 0.21 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.85 2kcv h ILE 67 Cb -0.06 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 2kcv h ILE 67 CO -0.04 0.13 0.19 -0.33 0.00 0.00 0.00 178.15 178.09 2kcv h GLU 68 N 0.69 0.38 0.00 2.37 5.08 -1.55 -2.71 114.58 118.84 2kcv h GLU 68 Ca 0.33 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2kcv h GLU 68 Cb 0.25 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2kcv h GLU 68 CO -0.21 0.25 -0.50 -0.39 -1.00 0.00 0.00 179.01 177.16 2kcv h VAL 69 N 0.39 0.05 -0.08 3.13 -1.51 -1.50 -3.32 116.25 113.41 2kcv h VAL 69 Ca 0.14 -1.08 -0.13 0.00 -1.23 0.00 0.00 66.70 64.39 2kcv h VAL 69 Cb 0.02 1.80 0.01 0.00 -2.13 0.00 0.00 31.29 30.98 2kcv h VAL 69 CO -0.07 0.03 -0.47 0.00 -1.23 0.00 0.00 177.57 175.82 2kcv h ALA 70 N 1.96 0.17 -0.28 5.19 0.00 0.16 0.21 119.26 126.67 2kcv h ALA 70 Ca -0.01 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2kcv h ALA 70 Cb 1.03 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2kcv h ALA 70 CO 0.00 0.33 0.10 0.07 0.00 0.00 0.00 179.25 179.76 2kcv h ARG 71 N 0.03 0.42 0.00 0.00 0.11 -1.67 -2.97 114.38 110.30 2kcv h ARG 71 Ca -0.04 -0.08 -0.12 0.00 0.10 0.00 0.00 59.98 59.84 2kcv h ARG 71 Cb 1.13 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 32.12 2kcv h ARG 71 CO 0.10 0.45 -0.90 0.93 0.10 0.00 0.00 179.97 180.65 2kcv h GLU 72 N 0.29 0.00 0.12 0.08 5.08 -1.65 -3.42 114.58 115.08 2kcv h GLU 72 Ca 0.09 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.24 2kcv h GLU 72 Cb 0.20 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.46 2kcv h GLU 72 CO -0.01 0.53 -1.02 0.93 -1.00 0.00 0.00 179.01 178.44 2kcv h GLU 73 N -1.00 0.25 0.00 2.33 4.39 -0.86 -3.47 114.58 116.22 2kcv h GLU 73 Ca -0.19 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.08 2kcv h GLU 73 Cb 0.92 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 2kcv h GLU 73 CO -0.11 1.21 0.00 0.41 -1.16 0.00 0.00 179.01 179.36 2kcv n GLY 74 N 1.68 0.50 3.95 -3.84 0.00 -0.36 -5.01 105.19 102.11 2kcv n GLY 74 Ca -0.19 -1.83 -0.25 0.00 0.00 0.00 0.00 46.02 43.76 2kcv n GLY 74 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kcv n THR 75 N -0.07 0.00 0.23 2.61 -2.24 -1.17 -4.69 114.28 108.96 2kcv n THR 75 Ca 0.00 -2.16 0.06 0.00 -2.27 0.00 0.00 64.05 59.68 2kcv n THR 75 Cb 0.00 -0.17 0.54 0.00 -2.10 0.00 0.00 70.33 68.60 2kcv n THR 75 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2kcv h GLN 76 N 0.00 0.00 -0.33 -0.78 5.75 -1.90 -2.69 115.11 115.16 2kcv h GLN 76 Ca -0.33 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.22 2kcv h GLN 76 Cb 1.30 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.80 2kcv h GLN 76 CO 0.51 0.14 0.04 -0.22 -2.65 0.00 0.00 178.83 176.65 2kcv h LYS 77 N 0.00 0.14 -0.18 1.69 3.64 -1.96 -1.47 116.57 118.44 2kcv h LYS 77 Ca -0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2kcv h LYS 77 Cb 0.26 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2kcv h LYS 77 CO 0.02 0.09 0.09 -0.44 -2.27 0.00 0.00 179.45 176.94 2kcv h ASP 78 N 0.14 0.23 -0.18 4.20 5.19 -1.79 -2.60 116.42 121.61 2kcv h ASP 78 Ca 0.16 -0.11 0.02 0.00 -0.62 0.00 0.00 57.03 56.48 2kcv h ASP 78 Cb 0.20 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.63 2kcv h ASP 78 CO -0.23 0.27 0.05 0.25 -3.12 0.00 0.00 179.24 176.45 2kcv h LEU 79 N 0.17 0.04 -0.55 1.55 5.85 -1.43 -1.87 115.31 119.08 2kcv h LEU 79 Ca 0.06 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.83 2kcv h LEU 79 Cb 0.10 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2kcv h LEU 79 CO -0.01 0.05 0.32 0.28 -0.34 0.00 0.00 178.44 178.74 2kcv h SER 80 N 0.13 0.51 0.26 1.25 0.02 -1.19 -2.14 113.55 112.39 2kcv h SER 80 Ca 0.08 0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.87 2kcv h SER 80 Cb 0.06 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2kcv h SER 80 CO -0.10 0.36 -0.67 -0.33 -1.14 0.00 0.00 176.83 174.96 2kcv h GLU 81 N 0.64 0.38 -0.10 3.45 5.08 -1.20 -0.08 114.58 122.75 2kcv h GLU 81 Ca 0.22 -0.28 -0.22 0.00 -1.00 0.00 0.00 59.36 58.08 2kcv h GLU 81 Cb 0.04 0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.35 2kcv h GLU 81 CO -0.11 0.91 -0.81 -0.07 -1.00 0.00 0.00 179.01 177.93 2kcv h LEU 82 N 0.27 0.76 -0.53 1.33 3.38 -1.25 0.10 115.31 119.37 2kcv h LEU 82 Ca -0.02 -0.52 -0.06 0.00 0.09 0.00 0.00 57.88 57.37 2kcv h LEU 82 Cb 1.21 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2kcv h LEU 82 CO 0.11 1.30 0.09 1.56 0.09 0.00 0.00 178.44 181.59 2kcv h GLN 83 N 0.41 0.88 -0.55 1.13 4.20 -1.36 -2.71 115.11 117.12 2kcv h GLN 83 Ca -0.06 -0.24 -0.08 0.00 0.06 0.00 0.00 58.65 58.34 2kcv h GLN 83 Cb 1.43 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 29.09 2kcv h GLN 83 CO 0.16 0.86 0.05 0.22 -0.67 0.00 0.00 178.83 179.44 2kcv h ASP 84 N 0.77 0.91 -0.25 1.46 3.58 -0.92 -2.23 116.42 119.75 2kcv h ASP 84 Ca 0.16 -0.28 -0.19 0.00 0.42 0.00 0.00 57.03 57.14 2kcv h ASP 84 Cb 0.41 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2kcv h ASP 84 CO 0.01 0.97 -0.57 0.00 -2.88 0.00 0.00 179.24 176.77 2kcv h ALA 85 N 0.98 0.47 -0.25 -0.78 0.00 -0.99 -2.79 119.26 115.90 2kcv h ALA 85 Ca 0.16 -0.52 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 2kcv h ALA 85 Cb 0.47 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2kcv h ALA 85 CO 0.02 0.68 -0.53 1.57 0.00 0.00 0.00 179.25 180.99 2kcv h LYS 86 N 0.64 0.74 -0.19 0.00 2.10 -1.47 -2.43 116.57 115.96 2kcv h LYS 86 Ca 0.01 -0.46 -0.13 0.00 -2.00 0.00 0.00 60.65 58.07 2kcv h LYS 86 Cb 1.17 0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.54 2kcv h LYS 86 CO 0.12 1.08 -0.44 1.37 -2.00 0.00 0.00 179.45 179.58 2kcv h LEU 87 N 0.57 0.50 -0.49 7.07 8.10 -1.38 0.05 115.31 129.73 2kcv h LEU 87 Ca 0.02 -0.23 -0.15 0.00 0.11 0.00 0.00 57.88 57.63 2kcv h LEU 87 Cb 1.10 -0.14 -0.02 0.00 -0.44 0.00 0.00 40.66 41.16 2kcv h LEU 87 CO 0.11 0.88 -0.71 0.07 -4.11 0.00 0.00 178.44 174.68 2kcv h LYS 88 N 0.38 0.00 0.00 0.17 5.09 -1.57 -3.05 116.57 117.59 2kcv h LYS 88 Ca 0.03 0.00 -0.07 0.00 0.09 0.00 0.00 60.65 60.70 2kcv h LYS 88 Cb 0.93 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.25 2kcv h LYS 88 CO 0.08 0.71 -0.34 0.00 -2.09 0.00 0.00 179.45 177.81 2kcv h ALA 89 N 1.29 1.11 -0.85 0.07 0.00 -0.90 -1.84 119.26 118.13 2kcv h ALA 89 Ca -0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2kcv h ALA 89 Cb 1.31 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2kcv h ALA 89 CO 0.09 0.42 0.46 0.93 0.00 0.00 0.00 179.25 181.16 2kcv h GLU 90 N 0.00 1.19 0.00 0.00 4.39 -0.91 -2.90 114.58 116.36 2kcv h GLU 90 Ca -0.00 -0.14 -0.05 0.00 0.34 0.00 0.00 59.36 59.51 2kcv h GLU 90 Cb 0.76 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2kcv h GLU 90 CO 0.04 0.88 -0.22 0.78 -1.16 0.00 0.00 179.01 179.34 2kcv h GLY 91 N 1.19 0.00 0.89 -3.84 0.00 -1.26 -1.37 103.07 98.69 2kcv h GLY 91 Ca 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 2kcv h GLY 91 CO -0.05 0.00 -0.02 1.41 0.00 0.00 0.00 176.54 177.88 2kcv h LEU 92 N 0.00 -0.05 -2.94 3.11 3.38 -1.18 -3.11 115.31 114.52 2kcv h LEU 92 Ca -0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2kcv h LEU 92 Cb 0.55 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2kcv h LEU 92 CO 0.03 0.08 0.00 -0.62 0.09 0.00 0.00 178.44 178.02 2kcv n GLU 93 N -5.06 3.91 -2.17 1.13 1.02 -1.11 -4.71 120.64 113.65 2kcv n GLU 93 Ca -0.08 -2.49 -0.40 0.00 -0.02 0.00 0.00 57.16 54.18 2kcv n GLU 93 Cb 0.10 -2.03 -0.03 0.00 -0.02 0.00 0.00 31.44 29.46 2kcv n GLU 93 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2kcv s HIS 94 N -2.26 1.88 0.00 -0.32 2.46 -0.53 -2.13 115.29 114.39 2kcv s HIS 94 Ca 0.43 0.60 0.00 0.00 0.47 0.00 0.00 55.06 56.56 2kcv s HIS 94 Cb 0.32 -4.22 0.00 0.00 -0.13 0.00 0.00 32.58 28.54 2kcv s HIS 94 CO 0.15 -2.28 0.00 1.58 -2.47 0.00 0.00 174.74 171.72 2kcv n HIS 95 N 11.40 0.00 -3.12 3.88 -0.00 -1.26 -5.00 115.22 121.12 2kcv n HIS 95 Ca 0.17 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.46 2kcv n HIS 95 Cb 0.50 -0.46 -0.07 0.00 -0.00 0.00 0.00 29.99 29.97 2kcv n HIS 95 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kcv s HIS 96 N -2.69 3.05 -1.23 1.57 4.02 -0.91 -3.51 115.29 115.60 2kcv s HIS 96 Ca 0.00 -0.16 0.00 0.00 1.02 0.00 0.00 55.06 55.92 2kcv s HIS 96 Cb 0.00 -3.39 0.00 0.00 -1.02 0.00 0.00 32.58 28.17 2kcv s HIS 96 CO 0.00 -0.91 0.00 0.72 1.02 0.00 0.00 174.74 175.57 2kcv n HIS 97 N 6.27 -0.29 -3.98 1.40 -0.00 -1.26 -4.78 115.22 112.58 2kcv n HIS 97 Ca -0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.56 2kcv n HIS 97 Cb 0.47 -2.55 -0.14 0.00 -0.00 0.00 0.00 29.99 27.77 2kcv n HIS 97 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kcv s HIS 98 N -2.55 0.19 -2.56 4.41 3.76 -1.23 -5.16 115.29 112.15 2kcv s HIS 98 Ca 0.00 -0.07 0.20 0.00 -0.15 0.00 0.00 55.06 55.05 2kcv s HIS 98 Cb 0.00 -0.12 0.16 0.00 1.11 0.00 0.00 32.58 33.73 2kcv s HIS 98 CO 0.00 -0.01 1.15 -2.39 -0.85 0.00 0.00 174.74 172.64