#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 -0.52 0.00 4.31 1.47 -1.26 -5.06 116.67 115.61 2kcv s ASP 2 Ca 0.00 0.88 0.10 0.00 1.18 0.00 0.00 52.55 54.71 2kcv s ASP 2 Cb 0.00 0.90 0.59 0.00 -0.34 0.00 0.00 42.92 44.07 2kcv s ASP 2 CO 0.00 -0.29 1.32 -0.81 0.68 0.00 0.00 175.17 176.07 2kcv n PRO 3 N 2.30 0.92 -0.01 2.11 -0.04 -1.26 -2.68 135.00 136.35 2kcv n PRO 3 Ca -0.15 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.25 2kcv n PRO 3 Cb 0.56 -1.17 -0.12 0.00 -0.04 0.00 0.00 33.50 32.73 2kcv n PRO 3 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kcv n GLU 4 N -0.67 0.63 -1.79 0.54 1.02 -1.26 -4.43 120.64 114.68 2kcv n GLU 4 Ca 0.07 0.25 -0.42 0.00 -0.02 0.00 0.00 57.16 57.05 2kcv n GLU 4 Cb 0.03 -1.78 -0.03 0.00 -0.02 0.00 0.00 31.44 29.65 2kcv n GLU 4 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2kcv s ASP 5 N -5.94 6.44 0.15 1.62 -1.08 -1.09 -4.93 116.67 111.84 2kcv s ASP 5 Ca -0.04 2.80 -0.22 0.00 -0.52 0.00 0.00 52.55 54.56 2kcv s ASP 5 Cb 0.08 -2.60 0.03 0.00 -1.46 0.00 0.00 42.92 38.97 2kcv s ASP 5 CO 0.82 -0.93 1.63 -0.65 0.52 0.00 0.00 175.17 176.56 2kcv h PRO 6 N 6.70 -0.24 -0.43 4.34 0.11 -1.91 -2.16 132.00 138.42 2kcv h PRO 6 Ca -0.43 0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.61 2kcv h PRO 6 Cb 1.20 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 2kcv h PRO 6 CO 0.94 -0.16 -0.07 0.35 -0.21 0.00 0.00 178.00 178.85 2kcv h PHE 7 N -0.25 0.80 -0.19 0.65 3.57 -1.97 -1.97 116.94 117.59 2kcv h PHE 7 Ca 0.14 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2kcv h PHE 7 Cb 0.46 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2kcv h PHE 7 CO -0.40 0.79 -0.02 1.15 -2.23 0.00 0.00 178.31 177.60 2kcv h THR 8 N 0.68 1.27 0.00 4.41 2.02 -1.74 -0.83 112.91 118.72 2kcv h THR 8 Ca 0.12 -0.93 -0.11 0.00 0.77 0.00 0.00 66.41 66.26 2kcv h THR 8 Cb 0.52 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 2kcv h THR 8 CO 0.03 0.28 -0.53 0.08 0.37 0.00 0.00 175.52 175.75 2kcv h ARG 9 N 0.08 0.00 0.20 6.66 0.11 -1.45 -0.90 114.38 119.08 2kcv h ARG 9 Ca 0.05 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.12 2kcv h ARG 9 Cb 0.43 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.51 2kcv h ARG 9 CO 0.01 0.53 -0.10 -0.92 0.10 0.00 0.00 179.97 179.60 2kcv h TYR 10 N 0.00 -0.25 -0.60 4.08 3.20 -1.23 -0.34 116.97 121.83 2kcv h TYR 10 Ca -0.01 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 2kcv h TYR 10 Cb 1.10 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.43 2kcv h TYR 10 CO 0.00 -0.03 0.13 0.00 -1.64 0.00 0.00 178.16 176.62 2kcv h ALA 11 N 0.34 1.11 -0.32 1.82 0.00 -1.09 -2.31 119.26 118.79 2kcv h ALA 11 Ca -0.03 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 2kcv h ALA 11 Cb 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2kcv h ALA 11 CO 0.04 0.59 -0.21 1.25 0.00 0.00 0.00 179.25 180.93 2kcv h LEU 12 N 0.90 0.62 -0.49 0.00 5.85 -1.13 -2.55 115.31 118.50 2kcv h LEU 12 Ca 0.19 -0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 2kcv h LEU 12 Cb 0.34 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2kcv h LEU 12 CO 0.00 0.83 -0.09 0.00 -0.34 0.00 0.00 178.44 178.83 2kcv h ALA 13 N 1.22 0.68 -0.62 1.25 0.00 -0.74 -0.43 119.26 120.62 2kcv h ALA 13 Ca 0.08 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.71 2kcv h ALA 13 Cb 0.66 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2kcv h ALA 13 CO 0.05 0.57 0.41 1.96 0.00 0.00 0.00 179.25 182.24 2kcv h GLN 14 N 0.79 0.64 -0.08 0.00 4.20 -1.22 -1.43 115.11 118.00 2kcv h GLN 14 Ca 0.13 -0.04 -0.20 0.00 0.06 0.00 0.00 58.65 58.60 2kcv h GLN 14 Cb 0.65 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2kcv h GLN 14 CO 0.04 0.42 -0.79 0.93 -0.67 0.00 0.00 178.83 178.77 2kcv h GLU 15 N 0.66 0.53 -0.63 1.46 5.08 -1.04 -3.19 114.58 117.44 2kcv h GLU 15 Ca 0.26 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 2kcv h GLU 15 Cb 0.21 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2kcv h GLU 15 CO -0.08 1.08 0.37 0.45 -1.00 0.00 0.00 179.01 179.83 2kcv h HIS 16 N 0.35 0.83 -0.49 4.33 3.86 -0.33 -2.25 115.15 121.45 2kcv h HIS 16 Ca -0.05 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.24 2kcv h HIS 16 Cb 1.39 -0.27 -0.06 0.00 1.06 0.00 0.00 27.41 29.53 2kcv h HIS 16 CO 0.06 0.56 0.14 -0.07 0.86 0.00 0.00 177.93 179.49 2kcv h LEU 17 N 0.87 0.10 -0.72 2.43 3.38 -1.28 0.18 115.31 120.27 2kcv h LEU 17 Ca 0.23 0.07 -0.12 0.00 0.09 0.00 0.00 57.88 58.15 2kcv h LEU 17 Cb -0.02 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2kcv h LEU 17 CO -0.04 0.08 -0.58 0.11 0.09 0.00 0.00 178.44 178.10 2kcv h LYS 18 N 0.30 0.00 -0.62 1.13 1.57 -1.46 -2.80 116.57 114.69 2kcv h LYS 18 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2kcv h LYS 18 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2kcv h LYS 18 CO -0.28 0.58 0.00 0.72 -0.57 0.00 0.00 179.45 179.90 2kcv n HIS 19 N -3.67 1.12 -0.93 -1.35 8.25 -0.90 -4.94 115.22 112.81 2kcv n HIS 19 Ca -0.01 -0.46 0.00 0.00 -0.26 0.00 0.00 57.72 56.99 2kcv n HIS 19 Cb 0.62 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.56 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 0.91 -3.28 -2.30 0.41 2.03 -0.86 -4.89 116.55 108.57 2kcv n ASP 20 Ca 0.20 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.32 2kcv n ASP 20 Cb 0.69 -1.84 -0.12 0.00 -0.72 0.00 0.00 41.12 39.13 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 -0.37 5.99 0.20 1.67 5.03 0.58 -4.63 115.26 123.73 2kcv n ASN 21 Ca 0.00 -2.69 0.04 0.00 0.87 0.00 0.00 54.58 52.80 2kcv n ASN 21 Cb 0.19 -1.39 0.40 0.00 -1.02 0.00 0.00 39.78 37.96 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 3.26 1.37 -0.64 5.41 0.00 -1.85 -0.92 119.26 125.89 2kcv h ALA 22 Ca 0.33 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2kcv h ALA 22 Cb 1.16 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2kcv h ALA 22 CO 0.59 0.42 0.22 0.77 0.00 0.00 0.00 179.25 181.24 2kcv h SER 23 N 0.00 0.92 -0.34 0.00 0.02 -1.93 0.12 113.55 112.34 2kcv h SER 23 Ca -0.00 -0.20 -0.12 0.00 -0.84 0.00 0.00 61.79 60.62 2kcv h SER 23 Cb 0.62 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2kcv h SER 23 CO 0.04 0.87 -0.24 0.03 -1.14 0.00 0.00 176.83 176.40 2kcv h ARG 24 N 0.92 0.84 -0.47 3.45 2.47 -1.74 -1.43 114.38 118.42 2kcv h ARG 24 Ca 0.21 -0.36 -0.07 0.00 -1.26 0.00 0.00 59.98 58.50 2kcv h ARG 24 Cb 0.27 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.54 2kcv h ARG 24 CO -0.01 0.99 0.01 0.00 0.56 0.00 0.00 179.97 181.52 2kcv h ALA 25 N 1.00 0.63 -0.05 0.04 0.00 -1.10 -1.99 119.26 117.78 2kcv h ALA 25 Ca 0.09 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2kcv h ALA 25 Cb 0.78 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2kcv h ALA 25 CO 0.06 0.43 0.02 1.25 0.00 0.00 0.00 179.25 181.01 2kcv h LEU 26 N 0.68 0.07 -0.24 0.00 5.85 -0.69 -2.06 115.31 118.92 2kcv h LEU 26 Ca 0.13 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.72 2kcv h LEU 26 Cb 0.50 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 2kcv h LEU 26 CO 0.02 0.23 0.01 0.00 -0.34 0.00 0.00 178.44 178.36 2kcv h ALA 27 N 0.85 0.22 -0.94 1.25 0.00 -1.26 -0.27 119.26 119.11 2kcv h ALA 27 Ca 0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2kcv h ALA 27 Cb 0.18 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2kcv h ALA 27 CO -0.00 -0.41 0.59 -0.07 0.00 0.00 0.00 179.25 179.36 2kcv h LEU 28 N 0.09 1.11 -0.19 0.00 3.38 -1.20 -0.01 115.31 118.50 2kcv h LEU 28 Ca 0.11 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 2kcv h LEU 28 Cb 0.14 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2kcv h LEU 28 CO -0.18 0.83 -0.20 -0.26 0.09 0.00 0.00 178.44 178.72 2kcv h PHE 29 N 1.28 0.56 -0.46 1.13 0.04 -1.13 -1.97 116.94 116.38 2kcv h PHE 29 Ca 0.34 -0.17 -0.00 0.00 2.80 0.00 0.00 57.97 60.94 2kcv h PHE 29 Cb -0.09 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 37.92 2kcv h PHE 29 CO 0.00 0.83 0.29 0.93 -0.60 0.00 0.00 178.31 179.76 2kcv h GLU 30 N 0.12 0.62 0.34 1.51 5.08 -0.74 -1.54 114.58 119.98 2kcv h GLU 30 Ca 0.03 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2kcv h GLU 30 Cb 0.74 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2kcv h GLU 30 CO 0.05 0.43 -0.17 0.93 -1.00 0.00 0.00 179.01 179.25 2kcv h GLU 31 N 0.64 -0.45 -0.90 2.33 5.08 -0.97 -2.88 114.58 117.43 2kcv h GLU 31 Ca 0.17 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.67 2kcv h GLU 31 Cb -0.03 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 2kcv h GLU 31 CO -0.03 -0.19 0.58 -0.07 -1.00 0.00 0.00 179.01 178.29 2kcv h LEU 32 N -0.65 0.78 0.40 1.33 3.38 -0.78 0.02 115.31 119.79 2kcv h LEU 32 Ca -0.05 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2kcv h LEU 32 Cb 0.46 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2kcv h LEU 32 CO 0.08 0.44 -0.19 0.58 0.09 0.00 0.00 178.44 179.44 2kcv h VAL 33 N 0.85 0.59 -0.03 1.22 2.07 -1.32 -1.45 116.25 118.16 2kcv h VAL 33 Ca 0.42 -0.32 -0.12 0.00 0.82 0.00 0.00 66.70 67.51 2kcv h VAL 33 Cb 0.47 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2kcv h VAL 33 CO -0.19 0.06 -0.53 1.05 0.02 0.00 0.00 177.57 177.98 2kcv h GLU 34 N -0.73 0.09 0.16 1.57 4.11 -1.22 -3.04 114.58 115.52 2kcv h GLU 34 Ca -0.06 -0.06 -0.34 0.00 0.07 0.00 0.00 59.36 58.98 2kcv h GLU 34 Cb 0.51 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2kcv h GLU 34 CO 0.09 0.60 -1.71 1.79 0.07 0.00 0.00 179.01 179.86 2kcv h THR 35 N 0.07 0.91 -2.81 -1.06 1.35 -1.09 -3.42 112.91 106.85 2kcv h THR 35 Ca -0.00 -2.45 -0.60 0.00 -0.55 0.00 0.00 66.41 62.80 2kcv h THR 35 Cb 0.97 2.71 -0.40 0.00 -1.73 0.00 0.00 68.15 69.70 2kcv h THR 35 CO 0.07 0.83 -0.78 -0.62 -0.25 0.00 0.00 175.52 174.77 2kcv s ASP 36 N -7.19 3.25 0.07 5.36 -1.08 -0.55 -4.99 116.67 111.54 2kcv s ASP 36 Ca -0.18 -2.83 0.18 0.00 -0.52 0.00 0.00 52.55 49.20 2kcv s ASP 36 Cb 0.05 -0.90 0.76 0.00 -1.46 0.00 0.00 42.92 41.36 2kcv s ASP 36 CO 0.82 -0.23 1.56 -0.81 0.52 0.00 0.00 175.17 177.03 2kcv n PRO 37 N 3.24 0.05 -0.93 4.34 -0.04 -1.15 -2.61 135.00 137.91 2kcv n PRO 37 Ca 0.15 0.28 -0.02 0.00 -0.04 0.00 0.00 63.50 63.86 2kcv n PRO 37 Cb 0.38 -1.60 0.31 0.00 -0.04 0.00 0.00 33.50 32.55 2kcv n PRO 37 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2kcv n ASP 38 N -1.70 4.70 -4.21 3.54 5.75 -1.26 -4.78 116.55 118.58 2kcv n ASP 38 Ca 0.03 -3.20 -0.42 0.00 -0.01 0.00 0.00 54.79 51.20 2kcv n ASP 38 Cb 0.20 -0.71 -0.06 0.00 -1.03 0.00 0.00 41.12 39.52 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 -2.97 3.55 0.25 2.11 6.14 -1.07 -4.89 117.35 120.47 2kcv s TYR 39 Ca 0.53 -2.28 -0.01 0.00 0.64 0.00 0.00 57.07 55.95 2kcv s TYR 39 Cb 0.42 -3.51 0.32 0.00 0.42 0.00 0.00 41.96 39.62 2kcv s TYR 39 CO 0.12 -0.93 1.70 0.28 0.64 0.00 0.00 175.55 177.37 2kcv h VAL 40 N 5.19 1.26 -0.91 3.14 2.07 -1.90 -3.20 116.25 121.90 2kcv h VAL 40 Ca 0.00 -1.21 0.11 0.00 0.82 0.00 0.00 66.70 66.42 2kcv h VAL 40 Cb 1.01 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.89 2kcv h VAL 40 CO 0.76 0.40 0.58 1.23 0.02 0.00 0.00 177.57 180.56 2kcv h GLY 41 N 0.98 1.32 0.99 2.17 0.00 -2.00 -2.05 103.07 104.49 2kcv h GLY 41 Ca 0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 2kcv h GLY 41 CO 0.04 0.17 0.27 -0.84 0.00 0.00 0.00 176.54 176.18 2kcv h THR 42 N 0.85 1.13 -0.22 4.70 2.02 -1.95 -3.23 112.91 116.21 2kcv h THR 42 Ca 0.43 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 67.36 2kcv h THR 42 Cb 0.50 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 2kcv h THR 42 CO -0.20 0.13 0.02 1.88 0.37 0.00 0.00 175.52 177.73 2kcv h TYR 43 N 0.58 0.04 -0.30 3.16 0.05 -1.53 0.96 116.97 119.93 2kcv h TYR 43 Ca 0.16 0.01 0.05 0.00 0.05 0.00 0.00 58.73 59.00 2kcv h TYR 43 Cb -0.02 0.02 -0.05 0.00 1.01 0.00 0.00 36.73 37.69 2kcv h TYR 43 CO -0.04 -0.00 -0.02 -0.92 -1.05 0.00 0.00 178.16 176.13 2kcv h TYR 44 N 0.10 -0.05 -0.01 4.88 3.20 -1.63 -1.53 116.97 121.94 2kcv h TYR 44 Ca 0.10 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.82 2kcv h TYR 44 Cb 0.11 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2kcv h TYR 44 CO -0.16 -0.07 -0.80 0.45 -1.64 0.00 0.00 178.16 175.94 2kcv h HIS 45 N 0.06 0.16 -0.23 -3.82 3.86 -1.43 -1.88 115.15 111.87 2kcv h HIS 45 Ca 0.14 -0.08 -0.12 0.00 -1.16 0.00 0.00 60.37 59.15 2kcv h HIS 45 Cb 0.20 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.65 2kcv h HIS 45 CO -0.24 0.86 -0.34 1.25 0.86 0.00 0.00 177.93 180.32 2kcv h LEU 46 N 0.06 0.70 -0.43 2.43 5.85 -0.77 -2.72 115.31 120.44 2kcv h LEU 46 Ca -0.02 -0.51 -0.17 0.00 0.84 0.00 0.00 57.88 58.01 2kcv h LEU 46 Cb 1.39 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 2kcv h LEU 46 CO 0.11 1.08 -0.53 1.23 -0.34 0.00 0.00 178.44 179.99 2kcv h GLY 47 N 0.34 0.79 1.41 3.75 0.00 -1.21 -1.45 103.07 106.70 2kcv h GLY 47 Ca 0.02 -0.90 -0.02 0.00 0.00 0.00 0.00 47.33 46.43 2kcv h GLY 47 CO 0.08 0.81 0.24 0.50 0.00 0.00 0.00 176.54 178.17 2kcv h LYS 48 N 0.56 0.76 -0.25 4.80 1.79 -1.38 -0.82 116.57 122.03 2kcv h LYS 48 Ca 0.02 -0.10 -0.17 0.00 -2.18 0.00 0.00 60.65 58.21 2kcv h LYS 48 Cb 1.10 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.60 2kcv h LYS 48 CO 0.11 0.61 -0.54 1.25 -1.08 0.00 0.00 179.45 179.80 2kcv h LEU 49 N 0.76 0.82 -1.03 2.94 5.85 -1.28 -3.11 115.31 120.26 2kcv h LEU 49 Ca 0.19 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2kcv h LEU 49 Cb 0.11 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 2kcv h LEU 49 CO -0.02 1.20 0.60 1.88 -0.34 0.00 0.00 178.44 181.75 2kcv h TYR 50 N 0.57 1.20 -0.91 1.25 0.05 -0.65 -1.55 116.97 116.94 2kcv h TYR 50 Ca 0.02 0.01 0.08 0.00 0.05 0.00 0.00 58.73 58.89 2kcv h TYR 50 Cb 1.12 -0.40 -0.06 0.00 1.01 0.00 0.00 36.73 38.39 2kcv h TYR 50 CO 0.06 0.78 0.59 0.93 -1.05 0.00 0.00 178.16 179.46 2kcv h GLU 51 N 1.28 0.94 0.04 4.88 5.08 -1.10 0.15 114.58 125.84 2kcv h GLU 51 Ca 0.34 -0.06 -0.23 0.00 -1.00 0.00 0.00 59.36 58.41 2kcv h GLU 51 Cb -0.11 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 28.91 2kcv h GLU 51 CO -0.07 0.62 -1.09 0.00 -1.00 0.00 0.00 179.01 177.47 2kcv h ARG 52 N 0.96 0.08 -0.36 2.33 3.08 -1.41 -3.23 114.38 115.83 2kcv h ARG 52 Ca 0.41 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.33 2kcv h ARG 52 Cb 0.31 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2kcv h ARG 52 CO -0.17 1.05 0.00 1.28 -1.07 0.00 0.00 179.97 181.06 2kcv n LEU 53 N -3.39 1.77 0.00 3.04 4.77 -0.63 -4.90 117.00 117.67 2kcv n LEU 53 Ca -0.03 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 2kcv n LEU 53 Cb 0.97 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 2kcv n LEU 53 CO 0.49 0.41 0.00 -0.67 -1.33 0.00 0.00 177.39 176.29 2kcv n ASP 54 N 0.38 -4.90 -2.37 -1.43 2.03 -0.97 -4.89 116.55 104.40 2kcv n ASP 54 Ca 0.10 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.15 2kcv n ASP 54 Cb 0.30 -2.41 -0.02 0.00 -0.72 0.00 0.00 41.12 38.27 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 -0.45 2.31 -0.00 -0.67 5.12 0.50 -4.69 116.66 118.77 2kcv n ARG 55 Ca 0.00 -2.33 0.05 0.00 -1.93 0.00 0.00 57.85 53.64 2kcv n ARG 55 Cb 0.32 -2.04 0.44 0.00 -1.16 0.00 0.00 32.46 30.02 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 1.69 1.08 -0.62 0.55 2.02 -1.88 -1.18 112.91 114.57 2kcv h THR 56 Ca 0.40 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 67.42 2kcv h THR 56 Cb 0.71 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 2kcv h THR 56 CO 0.95 0.10 0.39 0.44 0.37 0.00 0.00 175.52 177.76 2kcv h ASP 57 N 0.53 0.65 0.17 4.18 3.32 -1.93 -1.21 116.42 122.12 2kcv h ASP 57 Ca 0.16 -0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.06 2kcv h ASP 57 Cb 0.00 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2kcv h ASP 57 CO -0.04 0.45 -0.56 0.44 -1.72 0.00 0.00 179.24 177.82 2kcv h ASP 58 N 0.77 0.46 0.13 6.45 5.19 -1.71 -2.71 116.42 124.99 2kcv h ASP 58 Ca 0.24 -0.25 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2kcv h ASP 58 Cb -0.01 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.36 2kcv h ASP 58 CO -0.09 0.92 -0.11 0.00 -3.12 0.00 0.00 179.24 176.85 2kcv h ALA 59 N 1.09 -0.23 -0.89 3.45 0.00 -0.54 -1.15 119.26 120.98 2kcv h ALA 59 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2kcv h ALA 59 Cb 1.08 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 2kcv h ALA 59 CO 0.10 -0.64 0.51 0.82 0.00 0.00 0.00 179.25 180.04 2kcv h ILE 60 N -0.25 1.25 -0.31 0.00 1.08 -1.21 -0.23 117.51 117.84 2kcv h ILE 60 Ca -0.00 -0.60 -0.00 0.00 -0.39 0.00 0.00 64.86 63.87 2kcv h ILE 60 Cb 0.23 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 33.98 2kcv h ILE 60 CO -0.01 0.28 0.18 -0.78 -0.69 0.00 0.00 178.15 177.12 2kcv h ASP 61 N 1.24 0.38 -0.05 1.72 3.58 -1.34 -0.85 116.42 121.10 2kcv h ASP 61 Ca 0.32 -0.07 -0.12 0.00 0.42 0.00 0.00 57.03 57.58 2kcv h ASP 61 Cb -0.01 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 2kcv h ASP 61 CO -0.05 0.34 -0.36 0.74 -2.88 0.00 0.00 179.24 177.02 2kcv h THR 62 N 0.39 1.29 -0.20 2.25 2.02 -0.62 -0.99 112.91 117.05 2kcv h THR 62 Ca 0.11 -1.50 -0.07 0.00 0.77 0.00 0.00 66.41 65.72 2kcv h THR 62 Cb 0.03 1.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2kcv h THR 62 CO -0.02 0.47 -0.16 1.88 0.37 0.00 0.00 175.52 178.06 2kcv h TYR 63 N 0.46 0.55 -0.69 3.16 0.05 -0.95 -0.86 116.97 118.68 2kcv h TYR 63 Ca 0.05 -0.16 -0.05 0.00 0.05 0.00 0.00 58.73 58.62 2kcv h TYR 63 Cb 0.85 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.44 2kcv h TYR 63 CO 0.03 0.80 0.23 0.00 -1.05 0.00 0.00 178.16 178.17 2kcv h ALA 64 N 0.66 0.91 -0.62 3.88 0.00 -1.06 0.82 119.26 123.85 2kcv h ALA 64 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2kcv h ALA 64 Cb 0.69 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2kcv h ALA 64 CO 0.04 0.57 0.39 1.96 0.00 0.00 0.00 179.25 182.22 2kcv h GLN 65 N 1.01 0.83 -0.77 0.00 1.08 -1.20 -2.93 115.11 113.12 2kcv h GLN 65 Ca 0.22 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.37 2kcv h GLN 65 Cb 0.29 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 27.50 2kcv h GLN 65 CO -0.01 0.57 0.50 0.78 -0.95 0.00 0.00 178.83 179.72 2kcv h GLY 66 N 0.84 1.08 0.80 3.46 0.00 -0.56 -3.16 103.07 105.53 2kcv h GLY 66 Ca 0.22 -0.41 0.05 0.00 0.00 0.00 0.00 47.33 47.20 2kcv h GLY 66 CO -0.05 0.40 0.63 -2.22 0.00 0.00 0.00 176.54 175.31 2kcv h ILE 67 N 1.04 1.12 -0.21 2.60 2.04 -0.66 0.45 117.51 123.88 2kcv h ILE 67 Ca 0.28 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.74 2kcv h ILE 67 Cb -0.11 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 35.79 2kcv h ILE 67 CO -0.06 0.22 0.11 -0.33 0.00 0.00 0.00 178.15 178.09 2kcv h GLU 68 N 1.18 0.23 0.00 2.37 5.08 -1.52 -2.79 114.58 119.12 2kcv h GLU 68 Ca 0.41 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 2kcv h GLU 68 Cb 0.09 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2kcv h GLU 68 CO -0.15 0.15 -0.52 -0.39 -1.00 0.00 0.00 179.01 177.10 2kcv h VAL 69 N 0.23 0.00 -0.13 3.13 -1.51 -1.50 -3.35 116.25 113.12 2kcv h VAL 69 Ca 0.08 -0.85 -0.18 0.00 -1.23 0.00 0.00 66.70 64.53 2kcv h VAL 69 Cb 0.01 1.57 0.01 0.00 -2.13 0.00 0.00 31.29 30.74 2kcv h VAL 69 CO -0.05 0.00 -0.61 0.00 -1.23 0.00 0.00 177.57 175.68 2kcv h ALA 70 N 2.15 0.25 -0.41 5.19 0.00 0.14 0.12 119.26 126.70 2kcv h ALA 70 Ca 0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 2kcv h ALA 70 Cb 0.92 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2kcv h ALA 70 CO 0.00 0.51 -0.10 0.07 0.00 0.00 0.00 179.25 179.72 2kcv h ARG 71 N 0.30 0.72 0.00 0.00 0.11 -1.67 -2.76 114.38 111.09 2kcv h ARG 71 Ca -0.04 -0.23 -0.07 0.00 0.10 0.00 0.00 59.98 59.74 2kcv h ARG 71 Cb 1.25 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 32.25 2kcv h ARG 71 CO 0.13 0.81 -0.68 0.93 0.10 0.00 0.00 179.97 181.25 2kcv h GLU 72 N 0.66 0.00 0.12 0.08 4.39 -1.68 -3.43 114.58 114.71 2kcv h GLU 72 Ca 0.12 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.46 2kcv h GLU 72 Cb 0.56 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 2kcv h GLU 72 CO 0.03 0.36 -1.96 0.39 -1.16 0.00 0.00 179.01 176.68 2kcv n GLU 73 N -4.57 0.75 -1.01 2.33 -0.58 0.39 -4.95 120.64 113.00 2kcv n GLU 73 Ca -0.15 0.27 -0.06 0.00 -0.42 0.00 0.00 57.16 56.81 2kcv n GLU 73 Cb 0.38 -1.72 0.03 0.00 -0.57 0.00 0.00 31.44 29.56 2kcv n GLU 73 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kcv n GLY 74 N 1.95 0.51 3.94 0.62 0.00 -1.04 -5.02 105.19 106.15 2kcv n GLY 74 Ca -0.30 -1.94 -0.26 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.69 2.16 0.42 2.61 -4.23 -1.23 -4.63 115.64 110.05 2kcv s THR 75 Ca 0.16 -0.26 0.13 0.00 -1.18 0.00 0.00 61.69 60.54 2kcv s THR 75 Cb -0.01 -2.90 0.17 0.00 1.34 0.00 0.00 72.50 71.10 2kcv s THR 75 CO 0.11 0.00 1.96 -0.61 -0.54 0.00 0.00 174.62 175.53 2kcv h GLN 76 N -0.88 0.07 -0.39 3.99 5.75 -1.89 -2.29 115.11 119.47 2kcv h GLN 76 Ca -0.43 -0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 57.96 2kcv h GLN 76 Cb 1.28 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.81 2kcv h GLN 76 CO 0.50 0.26 -0.13 -0.22 -2.65 0.00 0.00 178.83 176.58 2kcv h LYS 77 N 0.07 0.78 -0.55 1.69 3.64 -1.94 -1.26 116.57 119.01 2kcv h LYS 77 Ca 0.01 -0.32 0.02 0.00 -1.27 0.00 0.00 60.65 59.10 2kcv h LYS 77 Cb 0.36 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 2kcv h LYS 77 CO 0.02 0.94 0.33 -0.44 -2.27 0.00 0.00 179.45 178.03 2kcv h ASP 78 N 0.59 0.54 -0.24 4.20 3.32 -1.80 -0.05 116.42 122.98 2kcv h ASP 78 Ca 0.09 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.17 2kcv h ASP 78 Cb 0.67 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2kcv h ASP 78 CO 0.05 0.38 0.10 0.25 -1.72 0.00 0.00 179.24 178.30 2kcv h LEU 79 N 0.66 0.13 -0.81 1.55 5.85 -1.35 -2.67 115.31 118.67 2kcv h LEU 79 Ca 0.22 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 2kcv h LEU 79 Cb 0.01 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2kcv h LEU 79 CO -0.09 0.10 0.36 -1.28 -0.34 0.00 0.00 178.44 177.19 2kcv h SER 80 N 0.22 1.09 -0.57 1.25 0.87 -0.78 -2.05 113.55 113.58 2kcv h SER 80 Ca 0.10 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 2kcv h SER 80 Cb 0.06 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.71 2kcv h SER 80 CO -0.10 0.95 0.31 -0.33 -0.53 0.00 0.00 176.83 177.13 2kcv h GLU 81 N 1.17 0.80 -0.03 2.24 4.39 -0.86 0.03 114.58 122.32 2kcv h GLU 81 Ca 0.28 -0.10 -0.17 0.00 0.34 0.00 0.00 59.36 59.71 2kcv h GLU 81 Cb 0.17 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2kcv h GLU 81 CO -0.03 0.62 -0.73 -0.07 -1.16 0.00 0.00 179.01 177.65 2kcv h LEU 82 N 0.77 0.23 -0.26 1.33 3.38 -1.30 -0.00 115.31 119.45 2kcv h LEU 82 Ca 0.20 -0.15 -0.20 0.00 0.09 0.00 0.00 57.88 57.81 2kcv h LEU 82 Cb 0.06 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2kcv h LEU 82 CO -0.03 0.87 -0.72 1.56 0.09 0.00 0.00 178.44 180.21 2kcv h GLN 83 N 0.12 0.69 -0.35 1.13 4.20 -1.20 -2.04 115.11 117.67 2kcv h GLN 83 Ca -0.02 -0.54 -0.16 0.00 0.06 0.00 0.00 58.65 57.99 2kcv h GLN 83 Cb 1.28 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 29.16 2kcv h GLN 83 CO 0.11 1.16 -0.42 -0.44 -0.67 0.00 0.00 178.83 178.56 2kcv h ASP 84 N 0.49 0.95 -0.14 1.46 5.19 -0.95 -2.90 116.42 120.52 2kcv h ASP 84 Ca -0.03 -0.45 -0.17 0.00 -0.62 0.00 0.00 57.03 55.75 2kcv h ASP 84 Cb 1.33 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 40.57 2kcv h ASP 84 CO 0.14 1.24 -0.55 0.00 -3.12 0.00 0.00 179.24 176.96 2kcv h ALA 85 N 0.80 0.58 -0.38 3.45 0.00 -1.01 -2.86 119.26 119.83 2kcv h ALA 85 Ca 0.05 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 2kcv h ALA 85 Cb 1.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2kcv h ALA 85 CO 0.10 0.68 -0.06 1.57 0.00 0.00 0.00 179.25 181.55 2kcv h LYS 86 N 0.56 0.71 -0.56 0.00 2.10 -1.42 -2.22 116.57 115.74 2kcv h LYS 86 Ca 0.01 -0.25 -0.08 0.00 -2.00 0.00 0.00 60.65 58.32 2kcv h LYS 86 Cb 1.12 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 32.38 2kcv h LYS 86 CO 0.11 0.84 0.02 1.37 -2.00 0.00 0.00 179.45 179.79 2kcv h LEU 87 N 0.51 0.91 -0.25 7.07 8.10 -1.50 -0.18 115.31 129.97 2kcv h LEU 87 Ca 0.10 -0.23 -0.19 0.00 0.11 0.00 0.00 57.88 57.66 2kcv h LEU 87 Cb 0.56 -0.24 0.00 0.00 -0.44 0.00 0.00 40.66 40.54 2kcv h LEU 87 CO 0.03 0.96 -0.59 0.07 -4.11 0.00 0.00 178.44 174.80 2kcv h LYS 88 N 0.87 0.85 -0.89 0.17 2.10 -1.57 -2.64 116.57 115.46 2kcv h LYS 88 Ca 0.17 -0.57 -0.01 0.00 -2.00 0.00 0.00 60.65 58.23 2kcv h LYS 88 Cb 0.49 0.08 -0.04 0.00 -0.90 0.00 0.00 32.23 31.86 2kcv h LYS 88 CO 0.02 1.20 0.53 0.00 -2.00 0.00 0.00 179.45 179.20 2kcv h ALA 89 N 0.64 1.25 -0.69 0.07 0.00 -1.12 -1.89 119.26 117.53 2kcv h ALA 89 Ca -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2kcv h ALA 89 Cb 1.21 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2kcv h ALA 89 CO 0.13 0.63 0.35 0.93 0.00 0.00 0.00 179.25 181.29 2kcv h GLU 90 N 1.23 0.97 0.00 0.00 5.08 -1.01 -2.00 114.58 118.86 2kcv h GLU 90 Ca 0.32 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2kcv h GLU 90 Cb -0.04 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.02 2kcv h GLU 90 CO -0.06 0.73 0.00 0.41 -1.00 0.00 0.00 179.01 179.10 2kcv n GLY 91 N -1.15 -0.96 0.12 -3.84 0.00 -0.74 -1.87 105.19 96.74 2kcv n GLY 91 Ca 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.23 0.25 0.99 3.38 -1.00 -3.37 115.31 115.32 2kcv h LEU 92 Ca 0.00 0.01 -0.33 0.00 0.09 0.00 0.00 57.88 57.65 2kcv h LEU 92 Cb 0.23 0.06 0.04 0.00 0.09 0.00 0.00 40.66 41.07 2kcv h LEU 92 CO 0.00 -0.01 -1.46 1.05 0.09 0.00 0.00 178.44 178.11 2kcv h GLU 93 N -0.59 0.53 -4.93 1.13 4.11 -1.69 -3.44 114.58 109.70 2kcv h GLU 93 Ca -0.03 -0.90 -0.64 0.00 0.07 0.00 0.00 59.36 57.86 2kcv h GLU 93 Cb 0.21 0.34 -0.17 0.00 0.50 0.00 0.00 28.75 29.63 2kcv h GLU 93 CO 0.05 1.43 -0.44 -1.58 0.07 0.00 0.00 179.01 178.54 2kcv s HIS 94 N -2.59 3.23 -0.41 2.06 2.46 -0.78 -5.02 115.29 114.23 2kcv s HIS 94 Ca -0.10 0.13 -0.27 0.00 0.47 0.00 0.00 55.06 55.29 2kcv s HIS 94 Cb 0.04 -2.45 -0.07 0.00 -0.13 0.00 0.00 32.58 29.96 2kcv s HIS 94 CO 0.94 -0.22 2.36 -2.39 -2.47 0.00 0.00 174.74 172.95 2kcv n HIS 95 N 5.15 1.58 -1.32 3.88 1.44 -1.26 -3.76 115.22 120.93 2kcv n HIS 95 Ca -0.12 0.06 -0.33 0.00 -2.01 0.00 0.00 57.72 55.31 2kcv n HIS 95 Cb 0.51 -2.65 0.10 0.00 0.12 0.00 0.00 29.99 28.07 2kcv n HIS 95 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2kcv s HIS 96 N 10.62 2.13 -0.71 -1.40 -3.43 -1.26 -4.07 115.29 117.17 2kcv s HIS 96 Ca 1.01 1.63 -0.03 0.00 -0.80 0.00 0.00 55.06 56.87 2kcv s HIS 96 Cb -0.30 -3.34 -0.03 0.00 -1.43 0.00 0.00 32.58 27.48 2kcv s HIS 96 CO 0.31 -2.38 0.64 1.58 -2.00 0.00 0.00 174.74 172.89 2kcv n HIS 97 N -3.08 -2.13 -0.29 0.38 -0.00 -1.26 -4.96 115.22 103.87 2kcv n HIS 97 Ca 0.12 0.78 -0.05 0.00 -0.00 0.00 0.00 57.72 58.57 2kcv n HIS 97 Cb 0.51 -3.68 0.07 0.00 -0.00 0.00 0.00 29.99 26.89 2kcv n HIS 97 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kcv h HIS 98 N -0.29 1.09 -0.02 1.57 2.76 -2.00 -3.56 115.15 114.70 2kcv h HIS 98 Ca -0.26 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.88 2kcv h HIS 98 Cb 1.13 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 29.75 2kcv h HIS 98 CO 0.20 0.76 0.00 0.72 -1.30 0.00 0.00 177.93 178.31