#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 6.64 0.00 1.62 -1.08 -1.26 -5.00 116.67 117.60 2kcv s ASP 2 Ca 0.00 0.77 0.00 0.00 -0.52 0.00 0.00 52.55 52.80 2kcv s ASP 2 Cb 0.00 -2.18 0.00 0.00 -1.46 0.00 0.00 42.92 39.28 2kcv s ASP 2 CO 0.00 0.34 0.61 -2.65 0.52 0.00 0.00 175.17 173.99 2kcv n PRO 3 N 1.96 0.00 0.06 4.34 -0.02 -1.26 -0.76 135.00 139.33 2kcv n PRO 3 Ca -0.16 0.17 -0.11 0.00 -2.02 0.00 0.00 63.50 61.39 2kcv n PRO 3 Cb 0.53 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 2kcv n PRO 3 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2kcv h GLU 4 N 0.00 0.37 -6.88 -0.52 4.39 -1.94 -3.35 114.58 106.65 2kcv h GLU 4 Ca 0.00 -0.34 -0.54 0.00 0.34 0.00 0.00 59.36 58.82 2kcv h GLU 4 Cb 0.12 0.08 0.10 0.00 -0.10 0.00 0.00 28.75 28.95 2kcv h GLU 4 CO 0.00 1.00 0.82 -0.25 -1.16 0.00 0.00 179.01 179.42 2kcv n ASP 5 N -3.78 3.82 -0.17 1.42 8.00 0.06 -4.88 116.55 121.02 2kcv n ASP 5 Ca -0.05 1.20 -0.02 0.00 0.71 0.00 0.00 54.79 56.63 2kcv n ASP 5 Cb 0.76 -1.61 0.07 0.00 -0.02 0.00 0.00 41.12 40.32 2kcv n ASP 5 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2kcv h PRO 6 N 3.69 0.34 -0.94 -0.24 0.13 -1.89 -1.23 132.00 131.86 2kcv h PRO 6 Ca -0.49 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2kcv h PRO 6 Cb 1.24 -0.08 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 2kcv h PRO 6 CO 0.70 0.22 0.61 0.35 -0.23 0.00 0.00 178.00 179.66 2kcv h PHE 7 N 0.35 1.20 0.14 1.56 3.57 -1.94 -1.74 116.94 120.07 2kcv h PHE 7 Ca 0.26 0.02 -0.29 0.00 3.53 0.00 0.00 57.97 61.49 2kcv h PHE 7 Cb 0.30 -0.40 0.02 0.00 2.79 0.00 0.00 35.95 38.65 2kcv h PHE 7 CO -0.17 0.76 -1.26 1.15 -2.23 0.00 0.00 178.31 176.56 2kcv h THR 8 N 1.28 1.38 0.00 4.41 2.02 -1.70 -1.34 112.91 118.95 2kcv h THR 8 Ca 0.34 -2.72 -0.10 0.00 0.77 0.00 0.00 66.41 64.70 2kcv h THR 8 Cb -0.13 2.82 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 2kcv h THR 8 CO -0.07 0.81 -0.47 0.08 0.37 0.00 0.00 175.52 176.24 2kcv h ARG 9 N 0.17 0.00 -0.06 6.66 0.11 -1.26 0.85 114.38 120.85 2kcv h ARG 9 Ca -0.17 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.90 2kcv h ARG 9 Cb 1.95 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 33.02 2kcv h ARG 9 CO 0.23 0.47 0.01 -0.92 0.10 0.00 0.00 179.97 179.85 2kcv h TYR 10 N 0.00 0.12 -0.78 4.08 3.20 -1.29 -1.19 116.97 121.11 2kcv h TYR 10 Ca -0.00 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 2kcv h TYR 10 Cb 1.09 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.30 2kcv h TYR 10 CO 0.00 0.36 0.43 0.00 -1.64 0.00 0.00 178.16 177.30 2kcv h ALA 11 N 0.74 1.29 -0.61 1.82 0.00 -1.09 -1.94 119.26 119.46 2kcv h ALA 11 Ca 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2kcv h ALA 11 Cb 0.31 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2kcv h ALA 11 CO 0.00 0.58 0.25 1.25 0.00 0.00 0.00 179.25 181.34 2kcv h LEU 12 N 1.09 0.84 -0.63 0.00 5.85 -0.80 -1.79 115.31 119.86 2kcv h LEU 12 Ca 0.28 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2kcv h LEU 12 Cb 0.02 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 2kcv h LEU 12 CO -0.04 0.78 0.37 0.00 -0.34 0.00 0.00 178.44 179.20 2kcv h ALA 13 N 1.10 0.80 -0.04 1.25 0.00 -0.82 -0.65 119.26 120.90 2kcv h ALA 13 Ca 0.21 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2kcv h ALA 13 Cb 0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2kcv h ALA 13 CO -0.02 0.29 -0.20 1.96 0.00 0.00 0.00 179.25 181.29 2kcv h GLN 14 N 0.85 0.06 -0.02 0.00 4.20 -1.06 -0.94 115.11 118.20 2kcv h GLN 14 Ca 0.22 -0.01 -0.22 0.00 0.06 0.00 0.00 58.65 58.70 2kcv h GLN 14 Cb -0.00 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2kcv h GLN 14 CO -0.04 0.26 -0.91 0.93 -0.67 0.00 0.00 178.83 178.40 2kcv h GLU 15 N 0.06 0.47 -0.15 1.46 4.39 -0.87 -3.12 114.58 116.81 2kcv h GLU 15 Ca 0.01 -0.48 -0.03 0.00 0.34 0.00 0.00 59.36 59.20 2kcv h GLU 15 Cb 0.38 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2kcv h GLU 15 CO 0.03 1.12 -0.04 0.45 -1.16 0.00 0.00 179.01 179.40 2kcv h HIS 16 N 0.28 0.23 -0.27 4.33 3.86 -0.43 -1.74 115.15 121.40 2kcv h HIS 16 Ca -0.08 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.13 2kcv h HIS 16 Cb 1.54 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 29.92 2kcv h HIS 16 CO 0.06 0.28 0.16 -0.07 0.86 0.00 0.00 177.93 179.22 2kcv h LEU 17 N 0.22 0.25 -0.46 2.43 3.38 -1.14 0.28 115.31 120.27 2kcv h LEU 17 Ca 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2kcv h LEU 17 Cb 0.23 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2kcv h LEU 17 CO 0.01 0.19 -0.26 0.07 0.09 0.00 0.00 178.44 178.54 2kcv h LYS 18 N 0.32 0.00 -0.25 1.13 2.10 -1.49 -2.56 116.57 115.82 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 -0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2kcv h LYS 18 CO -0.05 0.26 0.00 0.72 -2.00 0.00 0.00 179.45 178.38 2kcv n HIS 19 N -3.24 0.33 -0.86 0.07 8.25 -0.67 -4.93 115.22 114.16 2kcv n HIS 19 Ca 0.02 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2kcv n HIS 19 Cb 0.56 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 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 0.26 -2.18 -2.82 0.41 2.03 -0.66 -4.88 116.55 108.71 2kcv n ASP 20 Ca 0.10 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.12 2kcv n ASP 20 Cb 0.24 -1.67 -0.07 0.00 -0.72 0.00 0.00 41.12 38.90 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 -0.25 7.23 -0.08 1.67 5.03 0.89 -4.65 115.26 125.09 2kcv n ASN 21 Ca 0.00 -2.74 -0.03 0.00 0.87 0.00 0.00 54.58 52.68 2kcv n ASN 21 Cb 0.12 -1.43 0.19 0.00 -1.02 0.00 0.00 39.78 37.64 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 4.02 1.17 -0.61 5.41 0.00 -1.85 -0.77 119.26 126.64 2kcv h ALA 22 Ca 0.57 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.26 2kcv h ALA 22 Cb 0.73 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2kcv h ALA 22 CO 1.12 0.54 0.37 0.66 0.00 0.00 0.00 179.25 181.94 2kcv h SER 23 N 0.68 0.59 0.21 0.00 4.64 -1.94 0.15 113.55 117.90 2kcv h SER 23 Ca 0.14 0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.27 2kcv h SER 23 Cb 0.41 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2kcv h SER 23 CO 0.02 0.41 -0.74 0.03 -0.87 0.00 0.00 176.83 175.67 2kcv h ARG 24 N 0.72 0.45 -0.46 4.77 2.47 -1.82 -2.15 114.38 118.37 2kcv h ARG 24 Ca 0.25 -0.37 -0.10 0.00 -1.26 0.00 0.00 59.98 58.49 2kcv h ARG 24 Cb 0.04 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.42 2kcv h ARG 24 CO -0.11 1.01 -0.13 0.00 0.56 0.00 0.00 179.97 181.30 2kcv h ALA 25 N 0.88 0.91 -0.16 0.04 0.00 -1.05 -2.36 119.26 117.53 2kcv h ALA 25 Ca -0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2kcv h ALA 25 Cb 1.33 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2kcv h ALA 25 CO 0.13 0.63 0.07 1.25 0.00 0.00 0.00 179.25 181.33 2kcv h LEU 26 N 0.76 0.22 -0.87 0.00 5.85 -0.52 -1.62 115.31 119.13 2kcv h LEU 26 Ca 0.12 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.74 2kcv h LEU 26 Cb 0.64 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 2kcv h LEU 26 CO 0.04 0.31 0.55 0.00 -0.34 0.00 0.00 178.44 179.01 2kcv h ALA 27 N 0.92 1.18 -0.66 1.25 0.00 -1.35 -0.66 119.26 119.94 2kcv h ALA 27 Ca 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2kcv h ALA 27 Cb 0.16 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2kcv h ALA 27 CO -0.01 0.35 0.30 -0.07 0.00 0.00 0.00 179.25 179.82 2kcv h LEU 28 N 1.04 0.88 -0.17 0.00 3.38 -1.07 -0.41 115.31 118.96 2kcv h LEU 28 Ca 0.36 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 2kcv h LEU 28 Cb 0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2kcv h LEU 28 CO -0.14 0.78 -0.05 -0.26 0.09 0.00 0.00 178.44 178.85 2kcv h PHE 29 N 0.92 0.38 -0.04 1.13 0.04 -0.84 -1.26 116.94 117.27 2kcv h PHE 29 Ca 0.22 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 2kcv h PHE 29 Cb 0.15 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 2kcv h PHE 29 CO 0.01 0.62 -0.13 0.93 -0.60 0.00 0.00 178.31 179.14 2kcv h GLU 30 N 0.04 0.06 -0.26 1.51 5.08 -1.09 -1.96 114.58 117.96 2kcv h GLU 30 Ca 0.04 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 2kcv h GLU 30 Cb 0.50 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2kcv h GLU 30 CO 0.02 0.19 -0.31 1.49 -1.00 0.00 0.00 179.01 179.40 2kcv h GLU 31 N 0.06 0.66 -0.65 2.33 4.81 -0.94 -2.91 114.58 117.95 2kcv h GLU 31 Ca 0.01 -0.37 0.05 0.00 -0.13 0.00 0.00 59.36 58.92 2kcv h GLU 31 Cb 0.27 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 2kcv h GLU 31 CO 0.02 0.98 0.37 -0.07 -0.73 0.00 0.00 179.01 179.58 2kcv h LEU 32 N 0.38 0.58 0.35 1.64 3.38 -0.53 -1.57 115.31 119.54 2kcv h LEU 32 Ca 0.03 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2kcv h LEU 32 Cb 0.89 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2kcv h LEU 32 CO 0.07 0.38 -0.18 0.58 0.09 0.00 0.00 178.44 179.39 2kcv h VAL 33 N 0.71 0.63 -0.28 1.22 2.07 -1.38 -0.21 116.25 119.01 2kcv h VAL 33 Ca 0.28 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.76 2kcv h VAL 33 Cb 0.13 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2kcv h VAL 33 CO -0.15 0.00 -0.00 1.05 0.02 0.00 0.00 177.57 178.48 2kcv h GLU 34 N -0.49 0.49 -0.18 1.57 4.11 -1.39 -2.09 114.58 116.60 2kcv h GLU 34 Ca -0.04 -0.16 -0.13 0.00 0.07 0.00 0.00 59.36 59.10 2kcv h GLU 34 Cb 0.38 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2kcv h GLU 34 CO 0.07 0.65 -0.45 1.79 0.07 0.00 0.00 179.01 181.14 2kcv h THR 35 N 0.27 1.31 -2.14 -1.06 1.35 -1.33 -3.40 112.91 107.92 2kcv h THR 35 Ca 0.08 -1.64 -0.38 0.00 -0.55 0.00 0.00 66.41 63.92 2kcv h THR 35 Cb 0.43 1.66 -0.33 0.00 -1.73 0.00 0.00 68.15 68.19 2kcv h THR 35 CO 0.02 0.50 -0.68 -0.62 -0.25 0.00 0.00 175.52 174.48 2kcv s ASP 36 N -6.87 1.69 0.00 5.36 -1.08 -0.09 -5.02 116.67 110.66 2kcv s ASP 36 Ca -0.06 -1.25 0.18 0.00 -0.52 0.00 0.00 52.55 50.89 2kcv s ASP 36 Cb 0.12 0.40 0.99 0.00 -1.46 0.00 0.00 42.92 42.98 2kcv s ASP 36 CO 0.81 -0.33 1.52 -0.81 0.52 0.00 0.00 175.17 176.88 2kcv n PRO 37 N 4.76 0.40 0.03 4.34 -0.04 -0.79 -3.10 135.00 140.59 2kcv n PRO 37 Ca 0.04 0.06 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 2kcv n PRO 37 Cb 0.45 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.15 0.46 -4.56 3.54 9.92 -1.26 -4.79 116.55 118.71 2kcv n ASP 38 Ca 0.11 0.19 -0.27 0.00 -0.53 0.00 0.00 54.79 54.28 2kcv n ASP 38 Cb 0.11 1.00 -0.05 0.00 -0.64 0.00 0.00 41.12 41.54 2kcv n ASP 38 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2kcv s TYR 39 N -3.25 1.57 0.26 1.24 6.14 -1.18 -4.82 117.35 117.31 2kcv s TYR 39 Ca -0.05 1.03 -0.02 0.00 0.64 0.00 0.00 57.07 58.68 2kcv s TYR 39 Cb 0.11 -3.89 0.32 0.00 0.42 0.00 0.00 41.96 38.92 2kcv s TYR 39 CO 0.84 -1.91 1.73 0.28 0.64 0.00 0.00 175.55 177.14 2kcv h VAL 40 N 7.30 1.25 -0.49 3.14 2.07 -1.90 -3.14 116.25 124.49 2kcv h VAL 40 Ca -0.03 -1.09 0.10 0.00 0.82 0.00 0.00 66.70 66.49 2kcv h VAL 40 Cb 1.06 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 2kcv h VAL 40 CO 1.17 0.37 0.34 1.23 0.02 0.00 0.00 177.57 180.70 2kcv h GLY 41 N 0.97 0.33 0.62 2.17 0.00 -1.99 -1.92 103.07 103.25 2kcv h GLY 41 Ca 0.12 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.36 2kcv h GLY 41 CO 0.03 0.06 -0.29 -0.84 0.00 0.00 0.00 176.54 175.50 2kcv h THR 42 N 0.24 0.38 -1.01 4.70 2.02 -1.94 -3.32 112.91 113.98 2kcv h THR 42 Ca 0.23 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.51 2kcv h THR 42 Cb 0.59 0.38 -0.08 0.00 -1.74 0.00 0.00 68.15 67.29 2kcv h THR 42 CO -0.04 0.00 0.64 1.88 0.37 0.00 0.00 175.52 178.37 2kcv h TYR 43 N -0.59 1.17 0.97 3.16 0.05 -1.52 0.75 116.97 120.97 2kcv h TYR 43 Ca 0.00 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.77 2kcv h TYR 43 Cb 0.56 -0.38 0.01 0.00 1.01 0.00 0.00 36.73 37.93 2kcv h TYR 43 CO -0.21 0.52 -0.47 -0.92 -1.05 0.00 0.00 178.16 176.03 2kcv h TYR 44 N 1.06 -1.21 0.00 4.88 3.20 -1.67 -1.55 116.97 121.69 2kcv h TYR 44 Ca 0.47 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.24 2kcv h TYR 44 Cb 0.37 0.40 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 2kcv h TYR 44 CO -0.00 -0.75 -0.34 0.45 -1.64 0.00 0.00 178.16 175.87 2kcv h HIS 45 N -1.31 0.00 -0.17 -3.82 3.86 -1.47 0.59 115.15 112.82 2kcv h HIS 45 Ca -0.13 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.01 2kcv h HIS 45 Cb 1.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.47 2kcv h HIS 45 CO -0.00 0.34 -0.14 1.25 0.86 0.00 0.00 177.93 180.24 2kcv h LEU 46 N 0.00 0.42 -0.68 2.43 5.85 -0.93 -2.13 115.31 120.27 2kcv h LEU 46 Ca -0.00 -0.46 -0.14 0.00 0.84 0.00 0.00 57.88 58.12 2kcv h LEU 46 Cb 0.69 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2kcv h LEU 46 CO 0.04 0.79 -0.48 1.23 -0.34 0.00 0.00 178.44 179.68 2kcv h GLY 47 N 0.05 0.48 1.49 3.75 0.00 -0.86 -1.55 103.07 106.42 2kcv h GLY 47 Ca 0.03 -0.51 -0.13 0.00 0.00 0.00 0.00 47.33 46.72 2kcv h GLY 47 CO 0.04 0.46 -0.39 0.50 0.00 0.00 0.00 176.54 177.15 2kcv h LYS 48 N 0.35 0.56 -0.58 4.80 1.79 -0.94 -0.96 116.57 121.60 2kcv h LYS 48 Ca 0.02 -0.28 -0.10 0.00 -2.18 0.00 0.00 60.65 58.11 2kcv h LYS 48 Cb 0.98 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.61 2kcv h LYS 48 CO 0.09 0.86 -0.03 1.25 -1.08 0.00 0.00 179.45 180.54 2kcv h LEU 49 N 0.47 1.04 -0.23 2.94 5.85 -1.26 -2.22 115.31 121.90 2kcv h LEU 49 Ca 0.04 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.47 2kcv h LEU 49 Cb 0.89 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2kcv h LEU 49 CO 0.08 1.11 0.06 1.88 -0.34 0.00 0.00 178.44 181.22 2kcv h TYR 50 N 0.94 0.10 -1.00 1.25 0.05 -0.97 -1.35 116.97 116.00 2kcv h TYR 50 Ca 0.16 0.01 0.11 0.00 0.05 0.00 0.00 58.73 59.07 2kcv h TYR 50 Cb 0.59 -0.01 -0.08 0.00 1.01 0.00 0.00 36.73 38.24 2kcv h TYR 50 CO 0.04 0.04 0.63 0.93 -1.05 0.00 0.00 178.16 178.75 2kcv h GLU 51 N 0.15 0.97 -0.43 4.88 5.08 -1.02 0.12 114.58 124.34 2kcv h GLU 51 Ca 0.10 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 2kcv h GLU 51 Cb 0.09 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2kcv h GLU 51 CO -0.12 0.64 -0.13 0.00 -1.00 0.00 0.00 179.01 178.40 2kcv h ARG 52 N 1.00 0.79 -0.06 2.33 3.08 -1.02 -2.75 114.38 117.76 2kcv h ARG 52 Ca 0.49 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 60.26 2kcv h ARG 52 Cb 0.46 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2kcv h ARG 52 CO -0.26 0.88 0.00 1.28 -1.07 0.00 0.00 179.97 180.81 2kcv n LEU 53 N -4.15 0.39 -3.80 3.04 4.77 -0.47 -4.89 117.00 111.87 2kcv n LEU 53 Ca 0.01 -0.18 -0.27 0.00 -0.03 0.00 0.00 56.01 55.54 2kcv n LEU 53 Cb 0.38 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.47 2kcv n LEU 53 CO 0.43 0.09 0.08 -0.67 -1.33 0.00 0.00 177.39 176.00 2kcv n ASP 54 N -0.41 -3.98 -2.95 -1.43 2.03 -0.83 -4.94 116.55 104.05 2kcv n ASP 54 Ca 0.08 -0.75 -0.30 0.00 0.52 0.00 0.00 54.79 54.34 2kcv n ASP 54 Cb 0.09 -4.12 -0.01 0.00 -0.72 0.00 0.00 41.12 36.36 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 -4.61 3.63 -0.30 -0.67 5.12 0.30 -4.91 116.66 115.22 2kcv n ARG 55 Ca -0.06 -4.66 0.04 0.00 -1.93 0.00 0.00 57.85 51.24 2kcv n ARG 55 Cb 0.57 -2.28 0.18 0.00 -1.16 0.00 0.00 32.46 29.77 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 2.69 0.91 -0.52 0.55 2.02 -1.88 -1.98 112.91 114.69 2kcv h THR 56 Ca 0.27 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 67.07 2kcv h THR 56 Cb 0.53 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 2kcv h THR 56 CO 0.93 0.15 -0.07 -2.24 0.37 0.00 0.00 175.52 174.67 2kcv h ASP 57 N 0.83 0.93 -0.68 4.18 2.03 -1.94 -1.58 116.42 120.17 2kcv h ASP 57 Ca 0.41 -0.28 -0.06 0.00 -0.73 0.00 0.00 57.03 56.37 2kcv h ASP 57 Cb 0.38 -0.25 -0.03 0.00 -0.83 0.00 0.00 39.33 38.60 2kcv h ASP 57 CO -0.25 1.02 0.18 0.44 -1.03 0.00 0.00 179.24 179.60 2kcv h ASP 58 N 0.85 1.02 -0.18 4.15 5.19 -1.87 -3.00 116.42 122.58 2kcv h ASP 58 Ca 0.14 -0.22 0.02 0.00 -0.62 0.00 0.00 57.03 56.35 2kcv h ASP 58 Cb 0.59 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.82 2kcv h ASP 58 CO 0.04 0.98 0.07 0.00 -3.12 0.00 0.00 179.24 177.20 2kcv h ALA 59 N 1.08 0.20 -0.64 3.45 0.00 -0.76 -2.20 119.26 120.38 2kcv h ALA 59 Ca 0.22 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.19 2kcv h ALA 59 Cb 0.34 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2kcv h ALA 59 CO -0.00 -0.37 0.36 0.82 0.00 0.00 0.00 179.25 180.06 2kcv h ILE 60 N 0.15 0.99 -0.58 0.00 1.08 -1.23 -1.02 117.51 116.90 2kcv h ILE 60 Ca 0.07 -0.23 -0.08 0.00 -0.39 0.00 0.00 64.86 64.23 2kcv h ILE 60 Cb 0.04 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 34.02 2kcv h ILE 60 CO -0.07 0.12 0.05 -0.78 -0.69 0.00 0.00 178.15 176.78 2kcv h ASP 61 N 0.68 0.96 -0.18 1.72 3.58 -1.43 -0.84 116.42 120.91 2kcv h ASP 61 Ca 0.28 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2kcv h ASP 61 Cb 0.14 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 2kcv h ASP 61 CO -0.16 1.01 0.10 0.74 -2.88 0.00 0.00 179.24 178.05 2kcv h THR 62 N 0.88 1.09 -0.37 2.25 2.02 -0.79 -1.90 112.91 116.10 2kcv h THR 62 Ca 0.17 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 2kcv h THR 62 Cb 0.49 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2kcv h THR 62 CO 0.02 0.09 0.10 1.88 0.37 0.00 0.00 175.52 177.98 2kcv h TYR 63 N 0.19 0.61 -0.39 3.16 0.05 -1.11 -1.35 116.97 118.13 2kcv h TYR 63 Ca 0.06 -0.07 0.05 0.00 0.05 0.00 0.00 58.73 58.82 2kcv h TYR 63 Cb 0.05 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.58 2kcv h TYR 63 CO -0.04 0.59 0.14 0.00 -1.05 0.00 0.00 178.16 177.80 2kcv h ALA 64 N 0.94 0.46 -0.64 3.88 0.00 -1.08 0.12 119.26 122.95 2kcv h ALA 64 Ca 0.12 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2kcv h ALA 64 Cb 0.28 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2kcv h ALA 64 CO -0.00 -0.24 0.05 0.37 0.00 0.00 0.00 179.25 179.43 2kcv h GLN 65 N 0.31 1.09 -0.68 0.00 -0.00 -1.32 -2.93 115.11 111.58 2kcv h GLN 65 Ca 0.18 -0.32 -0.02 0.00 -0.00 0.00 0.00 58.65 58.49 2kcv h GLN 65 Cb 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 27.48 27.49 2kcv h GLN 65 CO -0.18 1.03 0.35 0.78 0.00 0.00 0.00 178.83 180.81 2kcv h GLY 66 N 1.00 1.01 0.75 2.39 0.00 -0.51 -3.08 103.07 104.64 2kcv h GLY 66 Ca 0.19 -0.46 0.05 0.00 0.00 0.00 0.00 47.33 47.11 2kcv h GLY 66 CO 0.02 0.44 0.50 -2.22 0.00 0.00 0.00 176.54 175.28 2kcv h ILE 67 N 0.95 1.05 -0.46 2.60 2.04 -0.59 0.33 117.51 123.42 2kcv h ILE 67 Ca 0.24 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2kcv h ILE 67 Cb 0.06 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.16 2kcv h ILE 67 CO -0.04 0.17 0.24 -0.33 0.00 0.00 0.00 178.15 178.19 2kcv h GLU 68 N 0.92 0.65 0.00 2.37 5.08 -1.59 -2.53 114.58 119.48 2kcv h GLU 68 Ca 0.35 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2kcv h GLU 68 Cb 0.14 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2kcv h GLU 68 CO -0.16 0.53 -0.32 -0.39 -1.00 0.00 0.00 179.01 177.68 2kcv h VAL 69 N 0.60 0.00 -0.08 3.13 -1.51 -1.49 -3.33 116.25 113.58 2kcv h VAL 69 Ca 0.16 -0.89 -0.09 0.00 -1.23 0.00 0.00 66.70 64.65 2kcv h VAL 69 Cb 0.09 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 2kcv h VAL 69 CO -0.02 0.00 -0.29 0.00 -1.23 0.00 0.00 177.57 176.03 2kcv h ALA 70 N 2.11 0.14 0.00 5.19 0.00 0.00 0.26 119.26 126.96 2kcv h ALA 70 Ca 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 2kcv h ALA 70 Cb 0.95 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2kcv h ALA 70 CO 0.00 0.17 -0.31 0.07 0.00 0.00 0.00 179.25 179.18 2kcv h ARG 71 N -0.15 0.00 0.00 0.00 0.11 -1.61 -1.59 114.38 111.13 2kcv h ARG 71 Ca -0.01 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.89 2kcv h ARG 71 Cb 0.92 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.98 2kcv h ARG 71 CO 0.06 0.31 -1.10 0.39 0.10 0.00 0.00 179.97 179.73 2kcv n GLU 72 N -4.12 0.54 -0.09 0.08 -0.58 -1.22 -4.73 120.64 110.52 2kcv n GLU 72 Ca -0.02 0.56 -0.18 0.00 -0.42 0.00 0.00 57.16 57.10 2kcv n GLU 72 Cb 0.36 -1.73 -0.10 0.00 -0.57 0.00 0.00 31.44 29.39 2kcv n GLU 72 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2kcv h GLU 73 N -1.00 0.00 0.00 3.49 4.39 -1.05 -3.49 114.58 116.92 2kcv h GLU 73 Ca -0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.43 2kcv h GLU 73 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2kcv h GLU 73 CO -0.16 0.86 0.00 0.41 -1.16 0.00 0.00 179.01 178.96 2kcv n GLY 74 N 1.49 0.28 4.02 -3.84 0.00 -0.60 -5.04 105.19 101.50 2kcv n GLY 74 Ca -0.25 -1.84 -0.20 0.00 0.00 0.00 0.00 46.02 43.73 2kcv n GLY 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kcv s THR 75 N 0.27 2.35 0.53 2.61 -4.23 -1.25 -4.65 115.64 111.27 2kcv s THR 75 Ca 0.00 -0.92 0.20 0.00 -1.18 0.00 0.00 61.69 59.79 2kcv s THR 75 Cb 0.00 -2.43 0.32 0.00 1.34 0.00 0.00 72.50 71.73 2kcv s THR 75 CO 0.00 0.00 2.09 -0.61 -0.54 0.00 0.00 174.62 175.56 2kcv h GLN 76 N 0.16 0.00 0.22 3.99 5.75 -1.93 -2.29 115.11 121.01 2kcv h GLN 76 Ca -0.34 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.15 2kcv h GLN 76 Cb 1.28 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.83 2kcv h GLN 76 CO 0.42 0.00 -0.12 -0.22 -2.65 0.00 0.00 178.83 176.26 2kcv h LYS 77 N 0.00 -0.31 -0.35 1.69 3.64 -1.96 0.07 116.57 119.36 2kcv h LYS 77 Ca 0.10 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 2kcv h LYS 77 Cb 0.41 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2kcv h LYS 77 CO -0.00 -0.21 0.11 -0.44 -2.27 0.00 0.00 179.45 176.65 2kcv h ASP 78 N -0.32 0.50 -0.49 4.20 3.32 -1.81 -1.81 116.42 120.01 2kcv h ASP 78 Ca -0.03 -0.20 0.06 0.00 0.02 0.00 0.00 57.03 56.88 2kcv h ASP 78 Cb 0.26 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.62 2kcv h ASP 78 CO 0.04 0.57 0.20 0.25 -1.72 0.00 0.00 179.24 178.58 2kcv h LEU 79 N 0.41 0.24 -0.94 1.55 5.85 -1.40 -2.60 115.31 118.42 2kcv h LEU 79 Ca 0.11 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.78 2kcv h LEU 79 Cb 0.24 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2kcv h LEU 79 CO -0.00 0.17 -0.35 -1.28 -0.34 0.00 0.00 178.44 176.64 2kcv h SER 80 N 0.40 0.35 -0.17 1.25 0.87 -0.72 -1.89 113.55 113.63 2kcv h SER 80 Ca 0.23 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 2kcv h SER 80 Cb 0.20 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2kcv h SER 80 CO -0.21 0.68 0.06 -0.33 -0.53 0.00 0.00 176.83 176.51 2kcv h GLU 81 N 0.30 0.27 -0.46 2.24 4.39 -0.99 -1.43 114.58 118.89 2kcv h GLU 81 Ca 0.03 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.57 2kcv h GLU 81 Cb 0.76 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 2kcv h GLU 81 CO 0.06 0.37 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.05 2kcv h LEU 82 N 0.11 0.93 -0.26 1.33 3.38 -1.30 -1.97 115.31 117.54 2kcv h LEU 82 Ca 0.06 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 2kcv h LEU 82 Cb 0.20 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2kcv h LEU 82 CO -0.00 1.10 0.05 1.56 0.09 0.00 0.00 178.44 181.24 2kcv h GLN 83 N 0.76 0.43 -0.25 1.13 4.20 -1.35 -2.59 115.11 117.43 2kcv h GLN 83 Ca 0.11 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2kcv h GLN 83 Cb 0.72 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 2kcv h GLN 83 CO 0.05 0.54 0.16 0.22 -0.67 0.00 0.00 178.83 179.13 2kcv h ASP 84 N 0.25 0.30 -0.34 1.46 3.58 -1.23 -2.71 116.42 117.73 2kcv h ASP 84 Ca 0.08 -0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.47 2kcv h ASP 84 Cb 0.31 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 2kcv h ASP 84 CO 0.00 0.24 0.08 0.00 -2.88 0.00 0.00 179.24 176.68 2kcv h ALA 85 N 1.07 0.45 -0.32 -0.78 0.00 -1.33 -2.66 119.26 115.69 2kcv h ALA 85 Ca 0.09 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2kcv h ALA 85 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2kcv h ALA 85 CO -0.02 0.12 -0.28 1.57 0.00 0.00 0.00 179.25 180.64 2kcv h LYS 86 N 0.40 0.75 -0.39 0.00 2.10 -1.47 -2.36 116.57 115.59 2kcv h LYS 86 Ca 0.11 -0.38 -0.11 0.00 -2.00 0.00 0.00 60.65 58.26 2kcv h LYS 86 Cb 0.30 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.62 2kcv h LYS 86 CO 0.00 1.00 -0.21 1.37 -2.00 0.00 0.00 179.45 179.61 2kcv h LEU 87 N 0.51 0.78 -0.42 7.07 8.10 -1.43 0.63 115.31 130.55 2kcv h LEU 87 Ca 0.06 -0.27 -0.18 0.00 0.11 0.00 0.00 57.88 57.59 2kcv h LEU 87 Cb 0.84 -0.21 -0.01 0.00 -0.44 0.00 0.00 40.66 40.84 2kcv h LEU 87 CO 0.07 0.97 -0.75 0.07 -4.11 0.00 0.00 178.44 174.69 2kcv h LYS 88 N 0.67 0.31 0.00 0.17 5.09 -1.55 -2.53 116.57 118.73 2kcv h LYS 88 Ca 0.10 -0.27 -0.08 0.00 0.09 0.00 0.00 60.65 60.50 2kcv h LYS 88 Cb 0.72 0.06 -0.01 0.00 0.10 0.00 0.00 32.23 33.10 2kcv h LYS 88 CO 0.06 0.92 -0.36 0.00 -2.09 0.00 0.00 179.45 177.98 2kcv h ALA 89 N 1.00 0.99 0.00 0.07 0.00 -1.00 -1.87 119.26 118.45 2kcv h ALA 89 Ca -0.03 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 2kcv h ALA 89 Cb 1.33 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2kcv h ALA 89 CO 0.12 0.45 -0.57 0.93 0.00 0.00 0.00 179.25 180.18 2kcv h GLU 90 N 0.00 0.00 0.00 0.00 5.08 -0.81 -2.67 114.58 116.18 2kcv h GLU 90 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2kcv h GLU 90 Cb 0.89 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 2kcv h GLU 90 CO 0.05 0.57 -0.06 0.78 -1.00 0.00 0.00 179.01 179.34 2kcv h GLY 91 N 1.98 0.00 0.47 -3.84 0.00 -0.90 -1.76 103.07 99.02 2kcv h GLY 91 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 2kcv h GLY 91 CO 0.07 0.00 -0.22 1.41 0.00 0.00 0.00 176.54 177.80 2kcv h LEU 92 N 0.00 -0.53 -2.91 3.11 3.38 -1.26 -3.45 115.31 113.65 2kcv h LEU 92 Ca -0.00 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 2kcv h LEU 92 Cb 0.19 0.14 -0.19 0.00 0.09 0.00 0.00 40.66 40.89 2kcv h LEU 92 CO 0.01 -0.22 -0.46 -1.84 0.09 0.00 0.00 178.44 176.02 2kcv n GLU 93 N -4.57 0.35 0.24 1.13 0.28 -1.21 -4.84 120.64 112.02 2kcv n GLU 93 Ca -0.08 -1.34 0.15 0.00 -0.16 0.00 0.00 57.16 55.73 2kcv n GLU 93 Cb 0.25 0.29 0.46 0.00 1.43 0.00 0.00 31.44 33.87 2kcv n GLU 93 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2kcv h HIS 94 N 0.49 0.00 -0.43 -1.84 2.76 -1.54 -3.39 115.15 111.20 2kcv h HIS 94 Ca -0.47 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 57.41 2kcv h HIS 94 Cb 1.46 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.39 2kcv h HIS 94 CO -0.07 0.00 0.94 -1.58 -1.30 0.00 0.00 177.93 175.92 2kcv s HIS 95 N -3.45 1.86 0.13 5.26 5.65 -1.26 -4.94 115.29 118.53 2kcv s HIS 95 Ca 0.04 0.70 -0.31 0.00 0.25 0.00 0.00 55.06 55.74 2kcv s HIS 95 Cb 0.07 -3.91 -0.08 0.00 -1.18 0.00 0.00 32.58 27.48 2kcv s HIS 95 CO 0.59 -1.14 1.38 -3.38 -0.65 0.00 0.00 174.74 171.54 2kcv s HIS 96 N 11.78 3.25 -0.48 3.88 -3.43 -1.26 -4.95 115.29 124.08 2kcv s HIS 96 Ca 0.70 0.99 -0.27 0.00 -0.80 0.00 0.00 55.06 55.68 2kcv s HIS 96 Cb -0.01 -3.67 -0.02 0.00 -1.43 0.00 0.00 32.58 27.45 2kcv s HIS 96 CO 0.14 -2.31 1.78 -1.58 -2.00 0.00 0.00 174.74 170.77 2kcv s HIS 97 N 0.97 1.80 0.20 0.38 5.04 -1.26 -4.94 115.29 117.48 2kcv s HIS 97 Ca 0.63 0.71 -0.32 0.00 -1.54 0.00 0.00 55.06 54.54 2kcv s HIS 97 Cb -0.37 -4.13 -0.12 0.00 0.04 0.00 0.00 32.58 28.00 2kcv s HIS 97 CO 0.31 -2.51 1.71 -2.39 -2.34 0.00 0.00 174.74 169.52 2kcv n HIS 98 N 11.34 2.67 1.56 3.88 1.44 -1.26 -5.31 115.22 129.55 2kcv n HIS 98 Ca 0.21 0.07 0.14 0.00 -2.01 0.00 0.00 57.72 56.13 2kcv n HIS 98 Cb 0.50 -2.66 0.58 0.00 0.12 0.00 0.00 29.99 28.53 2kcv n HIS 98 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25