#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 0.22 0.00 -1.84 1.11 -1.26 -5.04 116.67 109.85 2kcv s ASP 2 Ca 0.00 -0.52 0.20 0.00 0.18 0.00 0.00 52.55 52.40 2kcv s ASP 2 Cb 0.00 0.17 1.08 0.00 1.07 0.00 0.00 42.92 45.24 2kcv s ASP 2 CO 0.00 -0.41 1.71 -0.81 1.18 0.00 0.00 175.17 176.84 2kcv n PRO 3 N 1.15 1.12 0.23 8.23 -0.04 -1.26 -3.64 135.00 140.79 2kcv n PRO 3 Ca -0.21 -0.18 0.08 0.00 -0.04 0.00 0.00 63.50 63.14 2kcv n PRO 3 Cb 0.57 -1.32 0.55 0.00 -0.04 0.00 0.00 33.50 33.26 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 0.38 0.00 -6.81 0.54 5.08 -1.98 -3.33 114.58 108.46 2kcv h GLU 4 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 2kcv h GLU 4 Cb 0.08 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.41 2kcv h GLU 4 CO 0.00 0.22 0.84 0.34 -1.00 0.00 0.00 179.01 179.41 2kcv s ASP 5 N -6.54 6.43 0.09 1.42 -1.08 -1.24 -4.94 116.67 110.81 2kcv s ASP 5 Ca -0.03 2.91 -0.26 0.00 -0.52 0.00 0.00 52.55 54.65 2kcv s ASP 5 Cb 0.14 -2.64 -0.14 0.00 -1.46 0.00 0.00 42.92 38.82 2kcv s ASP 5 CO 0.65 -0.86 1.69 1.55 0.52 0.00 0.00 175.17 178.72 2kcv h PRO 6 N 4.61 -0.32 -0.15 4.34 0.13 -1.95 -2.16 132.00 136.49 2kcv h PRO 6 Ca -0.47 0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 2kcv h PRO 6 Cb 1.22 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2kcv h PRO 6 CO 0.77 -0.22 -0.19 0.35 -0.23 0.00 0.00 178.00 178.48 2kcv h PHE 7 N -0.34 0.28 -0.01 1.56 3.04 -1.95 -1.04 116.94 118.48 2kcv h PHE 7 Ca -0.01 -0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.89 2kcv h PHE 7 Cb 0.29 -0.07 -0.00 0.00 2.56 0.00 0.00 35.95 38.73 2kcv h PHE 7 CO -0.10 0.44 -0.00 1.15 -2.02 0.00 0.00 178.31 177.78 2kcv h THR 8 N 0.24 1.31 0.00 4.41 2.02 -1.83 -0.42 112.91 118.64 2kcv h THR 8 Ca 0.04 -0.93 -0.09 0.00 0.77 0.00 0.00 66.41 66.20 2kcv h THR 8 Cb 0.48 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 2kcv h THR 8 CO 0.03 0.25 -0.42 0.08 0.37 0.00 0.00 175.52 175.83 2kcv h ARG 9 N -0.36 0.00 -0.26 6.66 0.11 -1.31 0.29 114.38 119.51 2kcv h ARG 9 Ca 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.05 2kcv h ARG 9 Cb 0.40 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.47 2kcv h ARG 9 CO 0.00 0.42 0.02 -0.92 0.10 0.00 0.00 179.97 179.59 2kcv h TYR 10 N 0.00 0.48 -0.17 4.08 3.20 -1.16 -0.71 116.97 122.69 2kcv h TYR 10 Ca -0.00 -0.07 -0.17 0.00 3.14 0.00 0.00 58.73 61.62 2kcv h TYR 10 Cb 0.99 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 39.13 2kcv h TYR 10 CO 0.00 0.58 -0.59 0.00 -1.64 0.00 0.00 178.16 176.51 2kcv h ALA 11 N 0.84 0.66 -0.39 1.82 0.00 -0.91 -2.91 119.26 118.36 2kcv h ALA 11 Ca 0.08 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 2kcv h ALA 11 Cb 0.38 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2kcv h ALA 11 CO 0.01 0.70 0.00 1.25 0.00 0.00 0.00 179.25 181.21 2kcv h LEU 12 N 0.41 0.59 -0.69 0.00 5.85 -0.90 -1.61 115.31 118.96 2kcv h LEU 12 Ca -0.00 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.51 2kcv h LEU 12 Cb 1.14 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 2kcv h LEU 12 CO 0.11 0.66 0.03 0.00 -0.34 0.00 0.00 178.44 178.90 2kcv h ALA 13 N 1.41 0.90 -0.29 1.25 0.00 -1.04 -0.68 119.26 120.81 2kcv h ALA 13 Ca 0.12 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2kcv h ALA 13 Cb 0.37 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2kcv h ALA 13 CO 0.01 0.66 -0.12 1.96 0.00 0.00 0.00 179.25 181.76 2kcv h GLN 14 N 0.97 0.49 -0.44 0.00 4.20 -1.23 -0.54 115.11 118.56 2kcv h GLN 14 Ca 0.18 -0.14 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 2kcv h GLN 14 Cb 0.51 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 2kcv h GLN 14 CO 0.02 0.61 -0.15 0.93 -0.67 0.00 0.00 178.83 179.57 2kcv h GLU 15 N 0.46 0.83 -0.71 1.46 4.39 -0.96 -2.74 114.58 117.31 2kcv h GLU 15 Ca 0.09 -0.30 -0.05 0.00 0.34 0.00 0.00 59.36 59.43 2kcv h GLU 15 Cb 0.49 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 2kcv h GLU 15 CO 0.03 0.93 0.23 0.45 -1.16 0.00 0.00 179.01 179.49 2kcv h HIS 16 N 0.74 1.13 -0.23 4.33 3.86 -0.66 -2.28 115.15 122.04 2kcv h HIS 16 Ca 0.11 -0.11 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 2kcv h HIS 16 Cb 0.66 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.78 2kcv h HIS 16 CO 0.04 0.90 0.06 -0.07 0.86 0.00 0.00 177.93 179.72 2kcv h LEU 17 N 1.04 0.05 -1.12 2.43 3.38 -0.92 0.36 115.31 120.53 2kcv h LEU 17 Ca 0.23 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2kcv h LEU 17 Cb 0.29 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2kcv h LEU 17 CO -0.01 0.06 -0.06 0.07 0.09 0.00 0.00 178.44 178.59 2kcv h LYS 18 N 0.16 0.00 -0.59 1.13 2.10 -1.48 -1.80 116.57 116.10 2kcv h LYS 18 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 2kcv h LYS 18 Cb 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 2kcv h LYS 18 CO -0.12 0.06 0.00 0.72 -2.00 0.00 0.00 179.45 178.11 2kcv n HIS 19 N -3.16 0.97 -0.65 0.07 8.25 -0.86 -4.94 115.22 114.89 2kcv n HIS 19 Ca 0.01 -0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.07 2kcv n HIS 19 Cb 0.38 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.35 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 0.81 0.00 -3.34 0.41 2.03 -0.56 -4.90 116.55 111.00 2kcv n ASP 20 Ca 0.18 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 55.13 2kcv n ASP 20 Cb 0.61 -0.95 -0.03 0.00 -0.72 0.00 0.00 41.12 40.04 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 0.00 7.47 0.05 1.67 5.03 0.12 -4.64 115.26 124.96 2kcv n ASN 21 Ca 0.00 -2.56 -0.01 0.00 0.87 0.00 0.00 54.58 52.89 2kcv n ASN 21 Cb 0.00 -1.48 0.28 0.00 -1.02 0.00 0.00 39.78 37.56 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 5.40 1.29 -0.07 5.41 0.00 -1.87 -1.71 119.26 127.71 2kcv h ALA 22 Ca 0.77 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2kcv h ALA 22 Cb 0.31 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kcv h ALA 22 CO 1.75 0.47 0.05 0.66 0.00 0.00 0.00 179.25 182.17 2kcv h SER 23 N 0.35 0.08 -0.68 0.00 4.64 -1.95 0.13 113.55 116.12 2kcv h SER 23 Ca 0.06 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 2kcv h SER 23 Cb 0.52 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.56 2kcv h SER 23 CO 0.03 0.06 0.34 0.03 -0.87 0.00 0.00 176.83 176.42 2kcv h ARG 24 N 0.10 0.97 -0.60 4.77 2.47 -1.87 -2.06 114.38 118.16 2kcv h ARG 24 Ca 0.03 -0.14 -0.07 0.00 -1.26 0.00 0.00 59.98 58.54 2kcv h ARG 24 Cb -0.01 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.11 2kcv h ARG 24 CO -0.01 0.76 0.08 0.00 0.56 0.00 0.00 179.97 181.36 2kcv h ALA 25 N 1.16 1.02 0.13 0.04 0.00 -1.22 -2.70 119.26 117.69 2kcv h ALA 25 Ca 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2kcv h ALA 25 Cb 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2kcv h ALA 25 CO -0.03 0.62 -0.06 1.25 0.00 0.00 0.00 179.25 181.03 2kcv h LEU 26 N 0.92 -0.15 -0.86 0.00 5.85 -0.38 -1.89 115.31 118.80 2kcv h LEU 26 Ca 0.18 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.82 2kcv h LEU 26 Cb 0.42 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.42 2kcv h LEU 26 CO 0.01 0.09 0.51 0.00 -0.34 0.00 0.00 178.44 178.71 2kcv h ALA 27 N 0.43 1.22 -0.23 1.25 0.00 -1.39 -0.40 119.26 120.14 2kcv h ALA 27 Ca -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2kcv h ALA 27 Cb 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2kcv h ALA 27 CO 0.03 0.15 0.09 -0.07 0.00 0.00 0.00 179.25 179.45 2kcv h LEU 28 N 0.86 0.32 -0.30 0.00 3.38 -1.28 -1.61 115.31 116.68 2kcv h LEU 28 Ca 0.41 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 2kcv h LEU 28 Cb 0.34 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2kcv h LEU 28 CO -0.23 0.41 -0.03 -0.26 0.09 0.00 0.00 178.44 178.42 2kcv h PHE 29 N 0.22 0.61 -0.85 1.13 0.04 -0.89 -1.41 116.94 115.78 2kcv h PHE 29 Ca 0.08 -0.12 0.06 0.00 2.80 0.00 0.00 57.97 60.79 2kcv h PHE 29 Cb 0.19 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 38.13 2kcv h PHE 29 CO -0.01 0.71 0.53 0.93 -0.60 0.00 0.00 178.31 179.87 2kcv h GLU 30 N 0.33 0.95 -0.26 1.51 5.08 -1.10 -2.18 114.58 118.92 2kcv h GLU 30 Ca 0.08 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 2kcv h GLU 30 Cb 0.48 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2kcv h GLU 30 CO 0.02 0.63 -0.30 1.49 -1.00 0.00 0.00 179.01 179.85 2kcv h GLU 31 N 0.98 0.54 -0.64 2.33 4.81 -1.13 -2.67 114.58 118.81 2kcv h GLU 31 Ca 0.37 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2kcv h GLU 31 Cb 0.14 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 2kcv h GLU 31 CO -0.16 0.79 0.23 -0.07 -0.73 0.00 0.00 179.01 179.07 2kcv h LEU 32 N 0.47 0.88 -0.04 1.64 3.38 -0.69 -2.29 115.31 118.66 2kcv h LEU 32 Ca 0.06 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2kcv h LEU 32 Cb 0.76 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2kcv h LEU 32 CO 0.06 0.80 -0.04 0.58 0.09 0.00 0.00 178.44 179.93 2kcv h VAL 33 N 0.93 1.39 -0.17 1.22 2.07 -1.21 0.41 116.25 120.89 2kcv h VAL 33 Ca 0.22 -1.22 -0.07 0.00 0.82 0.00 0.00 66.70 66.44 2kcv h VAL 33 Cb 0.22 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 2kcv h VAL 33 CO -0.02 0.33 -0.21 1.05 0.02 0.00 0.00 177.57 178.74 2kcv h GLU 34 N -0.38 0.31 0.03 1.57 4.11 -1.46 -1.60 114.58 117.16 2kcv h GLU 34 Ca 0.01 -0.09 -0.30 0.00 0.07 0.00 0.00 59.36 59.04 2kcv h GLU 34 Cb 0.55 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 2kcv h GLU 34 CO 0.01 0.51 -1.72 1.79 0.07 0.00 0.00 179.01 179.67 2kcv h THR 35 N 0.28 0.85 -2.59 -1.06 1.35 -1.49 -3.42 112.91 106.82 2kcv h THR 35 Ca 0.05 -2.67 -0.60 0.00 -0.55 0.00 0.00 66.41 62.64 2kcv h THR 35 Cb 0.54 2.47 -0.39 0.00 -1.73 0.00 0.00 68.15 69.04 2kcv h THR 35 CO 0.04 0.60 -0.85 -1.81 -0.25 0.00 0.00 175.52 173.24 2kcv s ASP 36 N -6.33 2.49 0.43 5.36 1.01 0.13 -4.97 116.67 114.80 2kcv s ASP 36 Ca -0.08 -3.23 0.30 0.00 0.71 0.00 0.00 52.55 50.25 2kcv s ASP 36 Cb 0.08 -0.78 1.54 0.00 1.01 0.00 0.00 42.92 44.77 2kcv s ASP 36 CO 0.82 -0.16 1.91 -0.65 0.21 0.00 0.00 175.17 177.30 2kcv h PRO 37 N 5.67 0.00 -0.56 8.23 0.11 -1.47 -2.88 132.00 141.10 2kcv h PRO 37 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2kcv h PRO 37 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2kcv h PRO 37 CO 0.47 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.86 2kcv n ASP 38 N -2.57 3.04 -4.21 -2.05 5.75 -1.26 -4.76 116.55 110.49 2kcv n ASP 38 Ca -0.01 -2.19 -0.42 0.00 -0.01 0.00 0.00 54.79 52.16 2kcv n ASP 38 Cb 0.09 -0.42 -0.05 0.00 -1.03 0.00 0.00 41.12 39.71 2kcv n ASP 38 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2kcv s TYR 39 N -1.61 3.67 0.29 2.11 6.14 -1.09 -4.84 117.35 122.02 2kcv s TYR 39 Ca 0.33 -2.44 -0.01 0.00 0.64 0.00 0.00 57.07 55.60 2kcv s TYR 39 Cb 0.20 -3.52 0.44 0.00 0.42 0.00 0.00 41.96 39.50 2kcv s TYR 39 CO 0.18 -0.90 1.85 0.28 0.64 0.00 0.00 175.55 177.60 2kcv h VAL 40 N 4.81 1.22 -0.68 3.14 2.07 -1.89 -3.00 116.25 121.93 2kcv h VAL 40 Ca 0.07 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 66.89 2kcv h VAL 40 Cb 0.97 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 2kcv h VAL 40 CO 0.76 0.28 0.45 1.23 0.02 0.00 0.00 177.57 180.31 2kcv h GLY 41 N 0.95 0.92 0.93 2.17 0.00 -2.00 -1.62 103.07 104.43 2kcv h GLY 41 Ca 0.18 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 2kcv h GLY 41 CO -0.01 0.27 0.13 -0.84 0.00 0.00 0.00 176.54 176.09 2kcv h THR 42 N 0.79 1.21 -0.77 4.70 2.02 -1.93 -3.10 112.91 115.83 2kcv h THR 42 Ca 0.28 -0.66 0.07 0.00 0.77 0.00 0.00 66.41 66.87 2kcv h THR 42 Cb 0.11 0.91 -0.06 0.00 -1.74 0.00 0.00 68.15 67.37 2kcv h THR 42 CO -0.08 0.23 0.45 1.88 0.37 0.00 0.00 175.52 178.37 2kcv h TYR 43 N 0.47 0.82 0.34 3.16 0.05 -1.36 0.14 116.97 120.60 2kcv h TYR 43 Ca 0.13 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.92 2kcv h TYR 43 Cb 0.23 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 2kcv h TYR 43 CO 0.01 0.39 -0.29 -0.92 -1.05 0.00 0.00 178.16 176.29 2kcv h TYR 44 N 0.81 -0.80 0.00 4.88 3.20 -1.57 -1.93 116.97 121.56 2kcv h TYR 44 Ca 0.35 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.20 2kcv h TYR 44 Cb 0.22 0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.79 2kcv h TYR 44 CO -0.06 -0.40 -0.11 0.45 -1.64 0.00 0.00 178.16 176.40 2kcv h HIS 45 N -0.62 0.00 -0.12 -3.82 3.86 -1.37 -0.41 115.15 112.67 2kcv h HIS 45 Ca -0.04 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.01 2kcv h HIS 45 Cb 0.52 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.00 2kcv h HIS 45 CO -0.13 0.11 -0.54 1.25 0.86 0.00 0.00 177.93 179.48 2kcv h LEU 46 N 0.00 0.68 -0.31 2.43 5.85 -0.77 -2.37 115.31 120.82 2kcv h LEU 46 Ca -0.00 -0.63 -0.13 0.00 0.84 0.00 0.00 57.88 57.95 2kcv h LEU 46 Cb 0.21 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 2kcv h LEU 46 CO 0.01 1.20 -0.32 1.23 -0.34 0.00 0.00 178.44 180.22 2kcv h GLY 47 N 0.20 0.84 1.21 3.75 0.00 -0.61 -1.76 103.07 106.70 2kcv h GLY 47 Ca -0.03 -0.87 -0.00 0.00 0.00 0.00 0.00 47.33 46.43 2kcv h GLY 47 CO 0.11 0.78 0.47 0.50 0.00 0.00 0.00 176.54 178.40 2kcv h LYS 48 N 0.53 1.05 -0.45 4.80 1.79 -1.18 -0.94 116.57 122.18 2kcv h LYS 48 Ca 0.05 -0.09 -0.05 0.00 -2.18 0.00 0.00 60.65 58.37 2kcv h LYS 48 Cb 0.90 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 31.31 2kcv h LYS 48 CO 0.08 0.73 0.07 1.25 -1.08 0.00 0.00 179.45 180.50 2kcv h LEU 49 N 1.07 0.71 -0.63 2.94 5.85 -1.31 -2.80 115.31 121.14 2kcv h LEU 49 Ca 0.28 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.78 2kcv h LEU 49 Cb -0.05 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 2kcv h LEU 49 CO -0.05 0.79 0.37 1.88 -0.34 0.00 0.00 178.44 181.09 2kcv h TYR 50 N 0.60 0.68 -0.82 1.25 0.05 -0.67 -2.32 116.97 115.74 2kcv h TYR 50 Ca 0.13 0.02 0.09 0.00 0.05 0.00 0.00 58.73 59.03 2kcv h TYR 50 Cb 0.39 -0.21 -0.07 0.00 1.01 0.00 0.00 36.73 37.84 2kcv h TYR 50 CO 0.03 0.36 0.47 0.93 -1.05 0.00 0.00 178.16 178.89 2kcv h GLU 51 N 0.70 0.76 -0.29 4.88 5.08 -1.02 0.14 114.58 124.82 2kcv h GLU 51 Ca 0.27 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.48 2kcv h GLU 51 Cb 0.10 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2kcv h GLU 51 CO -0.14 0.50 -0.24 0.00 -1.00 0.00 0.00 179.01 178.13 2kcv h ARG 52 N 0.78 0.56 -0.56 2.33 3.08 -1.22 -2.93 114.38 116.43 2kcv h ARG 52 Ca 0.40 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2kcv h ARG 52 Cb 0.37 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2kcv h ARG 52 CO -0.25 0.76 0.00 1.28 -1.07 0.00 0.00 179.97 180.69 2kcv n LEU 53 N -4.12 1.79 0.00 3.04 4.77 -0.62 -4.87 117.00 116.99 2kcv n LEU 53 Ca -0.00 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 2kcv n LEU 53 Cb 0.41 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2kcv n LEU 53 CO 0.43 0.33 0.00 -0.67 -1.33 0.00 0.00 177.39 176.14 2kcv n ASP 54 N 0.16 -4.76 -2.72 -1.43 2.03 -1.07 -4.89 116.55 103.86 2kcv n ASP 54 Ca 0.08 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.08 2kcv n ASP 54 Cb 0.36 -2.68 -0.04 0.00 -0.72 0.00 0.00 41.12 38.04 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 -0.17 2.89 -0.36 -0.67 5.12 0.38 -4.68 116.66 119.18 2kcv n ARG 55 Ca 0.00 -2.65 0.00 0.00 -1.93 0.00 0.00 57.85 53.27 2kcv n ARG 55 Cb 0.34 -2.25 0.14 0.00 -1.16 0.00 0.00 32.46 29.53 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 2.12 1.15 -0.60 0.55 2.02 -1.86 -1.29 112.91 114.99 2kcv h THR 56 Ca 0.46 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 67.24 2kcv h THR 56 Cb 0.60 -0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 2kcv h THR 56 CO 1.02 0.22 0.40 -0.78 0.37 0.00 0.00 175.52 176.74 2kcv h ASP 57 N 1.19 0.69 -0.78 4.18 3.58 -1.95 -1.06 116.42 122.28 2kcv h ASP 57 Ca 0.39 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.79 2kcv h ASP 57 Cb 0.04 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 40.88 2kcv h ASP 57 CO -0.13 0.51 0.40 0.44 -2.88 0.00 0.00 179.24 177.57 2kcv h ASP 58 N 0.82 1.01 0.29 2.28 5.19 -1.82 -2.58 116.42 121.61 2kcv h ASP 58 Ca 0.22 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 2kcv h ASP 58 Cb -0.09 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.16 2kcv h ASP 58 CO -0.05 0.85 -0.17 0.00 -3.12 0.00 0.00 179.24 176.75 2kcv h ALA 59 N 1.21 -0.43 -0.92 3.45 0.00 -0.33 -0.95 119.26 121.29 2kcv h ALA 59 Ca 0.27 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.12 2kcv h ALA 59 Cb 0.09 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2kcv h ALA 59 CO -0.04 -0.75 0.60 0.82 0.00 0.00 0.00 179.25 179.89 2kcv h ILE 60 N -0.44 1.18 -0.47 0.00 1.08 -1.20 -1.06 117.51 116.62 2kcv h ILE 60 Ca -0.03 -0.41 -0.10 0.00 -0.39 0.00 0.00 64.86 63.93 2kcv h ILE 60 Cb 0.35 -0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 33.99 2kcv h ILE 60 CO 0.04 0.22 -0.12 -0.78 -0.69 0.00 0.00 178.15 176.82 2kcv h ASP 61 N 1.18 0.91 -0.34 1.72 3.58 -1.29 -0.83 116.42 121.36 2kcv h ASP 61 Ca 0.35 -0.36 -0.12 0.00 0.42 0.00 0.00 57.03 57.32 2kcv h ASP 61 Cb -0.04 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.75 2kcv h ASP 61 CO -0.10 1.06 -0.24 0.74 -2.88 0.00 0.00 179.24 177.83 2kcv h THR 62 N 0.74 1.27 -0.39 2.25 2.02 -0.38 -2.22 112.91 116.21 2kcv h THR 62 Ca 0.12 -1.37 -0.13 0.00 0.77 0.00 0.00 66.41 65.79 2kcv h THR 62 Cb 0.67 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 2kcv h THR 62 CO 0.05 0.46 -0.29 1.88 0.37 0.00 0.00 175.52 177.99 2kcv h TYR 63 N 0.72 0.96 -0.30 3.16 0.05 -1.14 0.03 116.97 120.46 2kcv h TYR 63 Ca 0.09 -0.25 0.01 0.00 0.05 0.00 0.00 58.73 58.63 2kcv h TYR 63 Cb 0.77 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 38.28 2kcv h TYR 63 CO 0.04 1.02 0.19 0.00 -1.05 0.00 0.00 178.16 178.36 2kcv h ALA 64 N 0.97 0.37 -0.68 3.88 0.00 -0.98 0.30 119.26 123.11 2kcv h ALA 64 Ca 0.08 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2kcv h ALA 64 Cb 0.83 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2kcv h ALA 64 CO 0.07 -0.17 0.16 0.37 0.00 0.00 0.00 179.25 179.68 2kcv h GLN 65 N 0.38 1.09 -0.86 0.00 -0.00 -1.40 -2.95 115.11 111.37 2kcv h GLN 65 Ca 0.11 -0.26 -0.00 0.00 -0.00 0.00 0.00 58.65 58.50 2kcv h GLN 65 Cb -0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 27.48 27.26 2kcv h GLN 65 CO -0.04 0.96 0.52 0.78 0.00 0.00 0.00 178.83 181.06 2kcv h GLY 66 N 1.07 1.24 1.48 2.39 0.00 -0.41 -2.88 103.07 105.97 2kcv h GLY 66 Ca 0.22 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 2kcv h GLY 66 CO 0.00 0.49 0.08 -2.22 0.00 0.00 0.00 176.54 174.90 2kcv h ILE 67 N 1.18 1.20 -0.09 2.60 2.04 -0.25 0.51 117.51 124.71 2kcv h ILE 67 Ca 0.31 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.43 2kcv h ILE 67 Cb -0.06 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2kcv h ILE 67 CO -0.06 0.27 0.06 -0.33 0.00 0.00 0.00 178.15 178.09 2kcv h GLU 68 N 0.64 0.12 0.00 2.37 5.08 -1.49 -2.85 114.58 118.45 2kcv h GLU 68 Ca 0.14 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2kcv h GLU 68 Cb 0.28 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2kcv h GLU 68 CO 0.00 0.11 -0.31 -0.39 -1.00 0.00 0.00 179.01 177.42 2kcv h VAL 69 N 0.10 0.00 -0.08 3.13 -1.51 -1.39 -3.27 116.25 113.23 2kcv h VAL 69 Ca 0.03 -0.90 -0.19 0.00 -1.23 0.00 0.00 66.70 64.42 2kcv h VAL 69 Cb 0.01 1.73 0.01 0.00 -2.13 0.00 0.00 31.29 30.92 2kcv h VAL 69 CO -0.01 0.00 -0.70 0.00 -1.23 0.00 0.00 177.57 175.63 2kcv h ALA 70 N 2.10 0.19 -0.31 5.19 0.00 0.15 0.25 119.26 126.83 2kcv h ALA 70 Ca 0.00 -0.58 -0.14 0.00 0.00 0.00 0.00 54.91 54.19 2kcv h ALA 70 Cb 0.95 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2kcv h ALA 70 CO 0.00 0.52 -0.38 0.07 0.00 0.00 0.00 179.25 179.46 2kcv h ARG 71 N 0.25 0.74 0.00 0.00 0.11 -1.64 -2.92 114.38 110.92 2kcv h ARG 71 Ca -0.06 -0.37 -0.10 0.00 0.10 0.00 0.00 59.98 59.55 2kcv h ARG 71 Cb 1.35 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.42 2kcv h ARG 71 CO 0.14 0.99 -0.78 0.93 0.10 0.00 0.00 179.97 181.36 2kcv h GLU 72 N 0.61 0.00 0.11 0.08 5.08 -1.60 -3.43 114.58 115.43 2kcv h GLU 72 Ca 0.05 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.09 2kcv h GLU 72 Cb 0.92 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 2kcv h GLU 72 CO 0.08 0.46 -1.74 0.93 -1.00 0.00 0.00 179.01 177.74 2kcv h GLU 73 N -1.00 0.24 0.00 2.33 4.39 -0.73 -3.48 114.58 116.33 2kcv h GLU 73 Ca -0.15 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.14 2kcv h GLU 73 Cb 0.83 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 2kcv h GLU 73 CO -0.09 1.20 0.00 0.41 -1.16 0.00 0.00 179.01 179.37 2kcv n GLY 74 N 1.84 0.01 3.03 -3.84 0.00 -0.80 -5.01 105.19 100.41 2kcv n GLY 74 Ca -0.30 -1.76 -0.20 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.22 0.00 0.25 2.61 -2.24 -1.17 -4.68 114.28 108.83 2kcv n THR 75 Ca 0.00 -1.69 0.10 0.00 -2.27 0.00 0.00 64.05 60.19 2kcv n THR 75 Cb 0.00 -0.21 0.65 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.08 -0.78 4.15 -1.89 -2.38 115.11 114.29 2kcv h GLN 76 Ca -0.26 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.15 2kcv h GLN 76 Cb 1.01 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.70 2kcv h GLN 76 CO 0.41 0.14 -0.04 -0.22 -1.93 0.00 0.00 178.83 177.20 2kcv h LYS 77 N 0.00 -0.10 -0.64 1.69 3.64 -1.95 -0.67 116.57 118.54 2kcv h LYS 77 Ca -0.00 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 2kcv h LYS 77 Cb 0.32 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.11 2kcv h LYS 77 CO 0.02 0.05 0.34 -0.44 -2.27 0.00 0.00 179.45 177.15 2kcv h ASP 78 N -0.23 0.49 -0.18 4.20 5.19 -1.79 -1.40 116.42 122.70 2kcv h ASP 78 Ca -0.01 0.03 0.02 0.00 -0.62 0.00 0.00 57.03 56.45 2kcv h ASP 78 Cb 0.19 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.62 2kcv h ASP 78 CO 0.02 0.32 0.05 0.25 -3.12 0.00 0.00 179.24 176.75 2kcv h LEU 79 N 0.63 0.04 -0.96 1.55 5.85 -1.32 -2.50 115.31 118.60 2kcv h LEU 79 Ca 0.29 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.97 2kcv h LEU 79 Cb 0.20 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2kcv h LEU 79 CO -0.19 0.05 0.06 0.28 -0.34 0.00 0.00 178.44 178.29 2kcv h SER 80 N 0.13 0.77 0.06 1.25 0.02 -0.52 -2.35 113.55 112.91 2kcv h SER 80 Ca 0.08 -0.17 -0.14 0.00 -0.84 0.00 0.00 61.79 60.73 2kcv h SER 80 Cb 0.06 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2kcv h SER 80 CO -0.10 0.80 -0.47 -0.33 -1.14 0.00 0.00 176.83 175.59 2kcv h GLU 81 N 0.77 0.49 -0.11 3.45 5.08 -1.09 -0.50 114.58 122.66 2kcv h GLU 81 Ca 0.16 -0.27 -0.22 0.00 -1.00 0.00 0.00 59.36 58.02 2kcv h GLU 81 Cb 0.39 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.66 2kcv h GLU 81 CO 0.01 0.86 -0.82 -0.07 -1.00 0.00 0.00 179.01 177.99 2kcv h LEU 82 N 0.39 0.83 -0.45 1.33 3.38 -1.32 -1.74 115.31 117.73 2kcv h LEU 82 Ca 0.02 -0.57 -0.11 0.00 0.09 0.00 0.00 57.88 57.32 2kcv h LEU 82 Cb 0.98 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2kcv h LEU 82 CO 0.09 1.36 -0.14 1.56 0.09 0.00 0.00 178.44 181.40 2kcv h GLN 83 N 0.45 0.90 -0.35 1.13 4.20 -1.37 -2.17 115.11 117.89 2kcv h GLN 83 Ca -0.06 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.28 2kcv h GLN 83 Cb 1.44 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.16 2kcv h GLN 83 CO 0.16 1.00 0.15 0.22 -0.67 0.00 0.00 178.83 179.70 2kcv h ASP 84 N 0.73 0.48 -0.38 1.46 1.82 -1.13 -2.77 116.42 116.64 2kcv h ASP 84 Ca 0.11 -0.15 -0.04 0.00 -0.39 0.00 0.00 57.03 56.56 2kcv h ASP 84 Cb 0.69 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 2kcv h ASP 84 CO 0.05 0.50 0.06 0.00 -1.61 0.00 0.00 179.24 178.24 2kcv h ALA 85 N 1.00 0.50 -0.52 -0.78 0.00 -1.25 -2.75 119.26 115.47 2kcv h ALA 85 Ca 0.12 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2kcv h ALA 85 Cb 0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2kcv h ALA 85 CO -0.01 0.20 -0.02 1.57 0.00 0.00 0.00 179.25 181.00 2kcv h LYS 86 N 0.47 0.92 -0.21 0.00 2.10 -1.42 -1.47 116.57 116.96 2kcv h LYS 86 Ca 0.11 -0.30 -0.12 0.00 -2.00 0.00 0.00 60.65 58.35 2kcv h LYS 86 Cb 0.36 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 2kcv h LYS 86 CO 0.01 0.95 -0.37 1.37 -2.00 0.00 0.00 179.45 179.41 2kcv h LEU 87 N 0.79 0.48 -0.33 7.07 8.10 -1.46 -0.47 115.31 129.48 2kcv h LEU 87 Ca 0.14 -0.20 -0.19 0.00 0.11 0.00 0.00 57.88 57.74 2kcv h LEU 87 Cb 0.55 -0.13 -0.01 0.00 -0.44 0.00 0.00 40.66 40.63 2kcv h LEU 87 CO 0.03 0.81 -0.83 0.07 -4.11 0.00 0.00 178.44 174.41 2kcv h LYS 88 N 0.38 0.29 -0.31 0.17 5.09 -1.50 -3.11 116.57 117.58 2kcv h LYS 88 Ca 0.04 -0.28 -0.04 0.00 0.09 0.00 0.00 60.65 60.46 2kcv h LYS 88 Cb 0.83 0.07 -0.02 0.00 0.10 0.00 0.00 32.23 33.21 2kcv h LYS 88 CO 0.07 0.96 0.03 0.00 -2.09 0.00 0.00 179.45 178.42 2kcv h ALA 89 N 0.94 1.48 -0.60 0.07 0.00 -0.90 -1.66 119.26 118.59 2kcv h ALA 89 Ca -0.04 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.74 2kcv h ALA 89 Cb 1.43 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2kcv h ALA 89 CO 0.13 0.38 0.40 0.93 0.00 0.00 0.00 179.25 181.09 2kcv h GLU 90 N 0.45 0.66 0.00 0.00 4.39 -1.03 -1.39 114.58 117.66 2kcv h GLU 90 Ca 0.10 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2kcv h GLU 90 Cb 0.25 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2kcv h GLU 90 CO 0.00 0.44 0.00 0.41 -1.16 0.00 0.00 179.01 178.70 2kcv n GLY 91 N -1.46 -1.00 0.06 -3.84 0.00 -0.63 -1.12 105.19 97.20 2kcv n GLY 91 Ca 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 2kcv n GLY 91 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kcv h LEU 92 N 0.00 -0.13 0.05 0.99 3.38 -1.19 -3.23 115.31 115.18 2kcv h LEU 92 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kcv h LEU 92 Cb 0.25 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2kcv h LEU 92 CO 0.00 -0.06 -0.03 1.05 0.09 0.00 0.00 178.44 179.49 2kcv h GLU 93 N -0.21 -0.07 -3.55 1.13 4.11 -1.69 -3.34 114.58 110.97 2kcv h GLU 93 Ca -0.02 0.00 -0.74 0.00 0.07 0.00 0.00 59.36 58.68 2kcv h GLU 93 Cb 0.12 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.26 2kcv h GLU 93 CO 0.03 0.54 2.38 1.58 0.07 0.00 0.00 179.01 183.61 2kcv n HIS 94 N -4.80 3.04 -2.76 2.06 -0.00 -0.27 -4.97 115.22 107.51 2kcv n HIS 94 Ca -0.08 -2.84 -0.23 0.00 -0.00 0.00 0.00 57.72 54.56 2kcv n HIS 94 Cb 0.32 -2.11 0.02 0.00 -0.00 0.00 0.00 29.99 28.22 2kcv n HIS 94 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kcv s HIS 95 N 1.04 3.12 -0.32 1.57 -3.43 -1.22 -3.96 115.29 112.10 2kcv s HIS 95 Ca 0.43 0.25 -0.28 0.00 -0.80 0.00 0.00 55.06 54.66 2kcv s HIS 95 Cb 0.12 -2.53 -0.04 0.00 -1.43 0.00 0.00 32.58 28.69 2kcv s HIS 95 CO -0.03 -0.61 2.11 -1.01 -2.00 0.00 0.00 174.74 173.20 2kcv s HIS 96 N -2.71 1.37 -0.40 0.38 3.76 -1.26 -4.96 115.29 111.47 2kcv s HIS 96 Ca 0.52 0.74 -0.16 0.00 -0.15 0.00 0.00 55.06 56.01 2kcv s HIS 96 Cb -0.10 -3.94 0.01 0.00 1.11 0.00 0.00 32.58 29.66 2kcv s HIS 96 CO 0.40 -3.41 0.39 -1.01 -0.85 0.00 0.00 174.74 170.26 2kcv s HIS 97 N 8.56 3.19 0.24 1.40 3.76 -1.26 -5.04 115.29 126.15 2kcv s HIS 97 Ca 0.92 -0.35 -0.20 0.00 -0.15 0.00 0.00 55.06 55.29 2kcv s HIS 97 Cb -0.26 -2.78 0.03 0.00 1.11 0.00 0.00 32.58 30.68 2kcv s HIS 97 CO 0.32 -0.62 0.64 -3.38 -0.85 0.00 0.00 174.74 170.85 2kcv s HIS 98 N 2.01 -0.17 -2.52 1.40 -3.43 -1.26 -5.32 115.29 106.00 2kcv s HIS 98 Ca 0.10 -0.23 0.20 0.00 -0.80 0.00 0.00 55.06 54.34 2kcv s HIS 98 Cb -0.17 0.57 0.16 0.00 -1.43 0.00 0.00 32.58 31.71 2kcv s HIS 98 CO 0.12 -1.10 1.14 0.72 -2.00 0.00 0.00 174.74 173.63