#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 6.73 0.00 -1.84 1.47 -1.26 -4.97 116.67 116.80 2kcv s ASP 2 Ca 0.00 1.90 0.24 0.00 1.18 0.00 0.00 52.55 55.87 2kcv s ASP 2 Cb 0.00 -2.57 1.26 0.00 -0.34 0.00 0.00 42.92 41.27 2kcv s ASP 2 CO 0.00 -0.51 1.83 -0.81 0.68 0.00 0.00 175.17 176.37 2kcv n PRO 3 N -0.42 1.26 0.28 2.11 -0.04 -1.26 -4.26 135.00 132.66 2kcv n PRO 3 Ca 0.07 -0.38 0.14 0.00 -0.04 0.00 0.00 63.50 63.29 2kcv n PRO 3 Cb 0.52 -1.40 0.81 0.00 -0.04 0.00 0.00 33.50 33.38 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 0.84 0.00 -6.68 0.54 4.39 -1.96 -3.05 114.58 108.65 2kcv h GLU 4 Ca 0.00 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 2kcv h GLU 4 Cb 0.18 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 28.89 2kcv h GLU 4 CO 0.00 0.08 0.93 0.34 -1.16 0.00 0.00 179.01 179.20 2kcv s ASP 5 N -6.03 6.45 0.15 1.42 -1.08 -1.26 -4.95 116.67 111.37 2kcv s ASP 5 Ca -0.03 2.81 -0.19 0.00 -0.52 0.00 0.00 52.55 54.61 2kcv s ASP 5 Cb 0.13 -2.61 0.04 0.00 -1.46 0.00 0.00 42.92 39.02 2kcv s ASP 5 CO 0.56 -0.90 1.67 -0.65 0.52 0.00 0.00 175.17 176.36 2kcv h PRO 6 N 6.24 -0.08 -0.20 4.34 0.11 -1.98 -2.24 132.00 138.19 2kcv h PRO 6 Ca -0.44 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.61 2kcv h PRO 6 Cb 1.21 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2kcv h PRO 6 CO 0.90 -0.05 -0.18 0.35 -0.21 0.00 0.00 178.00 178.80 2kcv h PHE 7 N -0.08 0.37 -0.07 0.65 3.57 -1.92 -0.78 116.94 118.68 2kcv h PHE 7 Ca 0.15 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2kcv h PHE 7 Cb 0.31 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 2kcv h PHE 7 CO -0.32 0.51 -0.02 1.15 -2.23 0.00 0.00 178.31 177.40 2kcv h THR 8 N 0.32 1.30 0.00 4.41 2.02 -1.70 -1.67 112.91 117.58 2kcv h THR 8 Ca 0.06 -0.95 -0.07 0.00 0.77 0.00 0.00 66.41 66.22 2kcv h THR 8 Cb 0.51 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 2kcv h THR 8 CO 0.03 0.26 -0.32 0.08 0.37 0.00 0.00 175.52 175.94 2kcv h ARG 9 N -0.22 0.00 0.33 6.66 0.11 -1.31 -0.86 114.38 119.08 2kcv h ARG 9 Ca 0.02 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.08 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 0.32 -0.16 -0.92 0.10 0.00 0.00 179.97 179.32 2kcv h TYR 10 N 0.00 -0.41 -0.06 4.08 3.20 -1.07 0.13 116.97 122.85 2kcv h TYR 10 Ca -0.00 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 2kcv h TYR 10 Cb 0.98 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 2kcv h TYR 10 CO 0.00 -0.23 -0.50 0.00 -1.64 0.00 0.00 178.16 175.79 2kcv h ALA 11 N 0.19 1.07 -0.10 1.82 0.00 -1.25 -2.57 119.26 118.41 2kcv h ALA 11 Ca -0.05 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 2kcv h ALA 11 Cb 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2kcv h ALA 11 CO 0.07 0.64 -0.54 1.25 0.00 0.00 0.00 179.25 180.68 2kcv h LEU 12 N 0.12 0.32 -0.68 0.00 5.85 -1.13 -1.58 115.31 118.21 2kcv h LEU 12 Ca 0.00 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 2kcv h LEU 12 Cb 0.92 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 2kcv h LEU 12 CO 0.07 0.80 0.21 0.00 -0.34 0.00 0.00 178.44 179.19 2kcv h ALA 13 N 1.21 0.89 0.00 1.25 0.00 -0.46 -0.37 119.26 121.78 2kcv h ALA 13 Ca 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2kcv h ALA 13 Cb 1.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2kcv h ALA 13 CO 0.09 0.56 -0.29 1.96 0.00 0.00 0.00 179.25 181.57 2kcv h GLN 14 N 0.99 0.00 -0.17 0.00 4.20 -1.26 -1.42 115.11 117.44 2kcv h GLN 14 Ca 0.22 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.88 2kcv h GLN 14 Cb 0.30 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 2kcv h GLN 14 CO -0.01 0.29 -0.07 0.93 -0.67 0.00 0.00 178.83 179.31 2kcv h GLU 15 N 0.00 0.35 -0.95 1.46 4.39 -0.74 -3.09 114.58 116.01 2kcv h GLU 15 Ca -0.00 -0.15 0.07 0.00 0.34 0.00 0.00 59.36 59.62 2kcv h GLU 15 Cb 0.66 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.23 2kcv h GLU 15 CO 0.04 0.64 0.62 0.45 -1.16 0.00 0.00 179.01 179.60 2kcv h HIS 16 N 0.04 1.11 0.02 4.33 3.86 -0.54 -0.37 115.15 123.62 2kcv h HIS 16 Ca 0.04 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.31 2kcv h HIS 16 Cb 0.53 -0.37 -0.04 0.00 1.06 0.00 0.00 27.41 28.60 2kcv h HIS 16 CO 0.06 0.57 -0.22 -0.07 0.86 0.00 0.00 177.93 179.14 2kcv h LEU 17 N 1.09 -0.63 -1.43 2.43 3.38 -1.30 0.34 115.31 119.18 2kcv h LEU 17 Ca 0.41 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.41 2kcv h LEU 17 Cb 0.20 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2kcv h LEU 17 CO -0.16 -0.29 -0.27 0.11 0.09 0.00 0.00 178.44 177.92 2kcv h LYS 18 N -0.36 0.00 -0.75 1.13 1.57 -1.33 -1.77 116.57 115.05 2kcv h LYS 18 Ca 0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2kcv h LYS 18 Cb 0.43 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 2kcv h LYS 18 CO -0.18 0.27 0.01 0.72 -0.57 0.00 0.00 179.45 179.69 2kcv n HIS 19 N -3.82 1.28 0.00 -1.35 8.25 -0.20 -4.92 115.22 114.46 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 0.36 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 0.36 0.00 -3.78 0.41 2.03 -0.67 -4.92 116.55 109.99 2kcv n ASP 20 Ca 0.17 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.06 2kcv n ASP 20 Cb 0.83 -0.09 -0.01 0.00 -0.72 0.00 0.00 41.12 41.14 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 3.75 0.05 1.67 5.03 0.11 -4.66 115.26 121.22 2kcv n ASN 21 Ca 0.00 -2.82 -0.05 0.00 0.87 0.00 0.00 54.58 52.58 2kcv n ASN 21 Cb 0.00 -1.59 0.15 0.00 -1.02 0.00 0.00 39.78 37.32 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 6.40 0.94 -0.25 5.41 0.00 -1.84 -2.15 119.26 127.76 2kcv h ALA 22 Ca 0.54 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2kcv h ALA 22 Cb 0.66 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2kcv h ALA 22 CO 1.87 0.64 0.08 0.66 0.00 0.00 0.00 179.25 182.50 2kcv h SER 23 N 0.31 0.08 -0.11 0.00 4.64 -1.94 0.15 113.55 116.67 2kcv h SER 23 Ca 0.02 0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.23 2kcv h SER 23 Cb 0.92 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 2kcv h SER 23 CO 0.08 0.08 -0.42 0.03 -0.87 0.00 0.00 176.83 175.73 2kcv h ARG 24 N 0.19 0.65 -0.44 4.77 2.47 -1.94 -2.08 114.38 118.00 2kcv h ARG 24 Ca 0.11 -0.34 -0.09 0.00 -1.26 0.00 0.00 59.98 58.39 2kcv h ARG 24 Cb 0.08 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.40 2kcv h ARG 24 CO -0.12 0.95 -0.11 0.00 0.56 0.00 0.00 179.97 181.25 2kcv h ALA 25 N 1.01 0.98 -0.03 0.04 0.00 -1.29 -2.31 119.26 117.66 2kcv h ALA 25 Ca 0.04 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2kcv h ALA 25 Cb 0.94 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2kcv h ALA 25 CO 0.09 0.61 0.01 1.25 0.00 0.00 0.00 179.25 181.20 2kcv h LEU 26 N 0.72 0.04 -0.43 0.00 5.85 -0.49 -1.56 115.31 119.45 2kcv h LEU 26 Ca 0.12 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.70 2kcv h LEU 26 Cb 0.60 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 2kcv h LEU 26 CO 0.04 0.21 0.19 0.00 -0.34 0.00 0.00 178.44 178.54 2kcv h ALA 27 N 0.83 0.53 -0.66 1.25 0.00 -1.36 -0.77 119.26 119.08 2kcv h ALA 27 Ca 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2kcv h ALA 27 Cb 0.18 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2kcv h ALA 27 CO -0.00 -0.18 0.37 -0.07 0.00 0.00 0.00 179.25 179.37 2kcv h LEU 28 N 0.39 0.82 -0.10 0.00 3.38 -1.26 -1.01 115.31 117.53 2kcv h LEU 28 Ca 0.19 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2kcv h LEU 28 Cb 0.13 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2kcv h LEU 28 CO -0.16 0.67 -0.06 -0.26 0.09 0.00 0.00 178.44 178.72 2kcv h PHE 29 N 0.90 0.26 -0.28 1.13 0.04 -1.06 -1.14 116.94 116.79 2kcv h PHE 29 Ca 0.23 -0.07 0.04 0.00 2.80 0.00 0.00 57.97 60.97 2kcv h PHE 29 Cb 0.03 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 2kcv h PHE 29 CO -0.01 0.60 0.19 0.93 -0.60 0.00 0.00 178.31 179.42 2kcv h GLU 30 N -0.16 0.21 -0.09 1.51 5.08 -1.09 -1.68 114.58 118.36 2kcv h GLU 30 Ca 0.02 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2kcv h GLU 30 Cb 0.54 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2kcv h GLU 30 CO 0.02 0.14 -0.21 1.49 -1.00 0.00 0.00 179.01 179.44 2kcv h GLU 31 N 0.21 0.30 -0.69 2.33 4.81 -1.10 -2.66 114.58 117.77 2kcv h GLU 31 Ca 0.12 -0.20 0.08 0.00 -0.13 0.00 0.00 59.36 59.23 2kcv h GLU 31 Cb 0.21 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 2kcv h GLU 31 CO -0.02 0.81 0.46 -0.07 -0.73 0.00 0.00 179.01 179.45 2kcv h LEU 32 N -0.16 0.56 0.65 1.64 3.38 -0.36 -1.28 115.31 119.74 2kcv h LEU 32 Ca -0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2kcv h LEU 32 Cb 0.81 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.46 2kcv h LEU 32 CO 0.05 0.34 -0.31 0.58 0.09 0.00 0.00 178.44 179.18 2kcv h VAL 33 N 0.62 0.22 0.00 1.22 2.07 -1.36 -1.52 116.25 117.50 2kcv h VAL 33 Ca 0.31 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 2kcv h VAL 33 Cb 0.41 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2kcv h VAL 33 CO -0.10 0.02 -0.25 1.05 0.02 0.00 0.00 177.57 178.31 2kcv h GLU 34 N -1.09 0.00 0.09 1.57 4.11 -1.01 -2.22 114.58 116.02 2kcv h GLU 34 Ca -0.09 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 58.98 2kcv h GLU 34 Cb 0.71 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 2kcv h GLU 34 CO 0.15 0.25 -2.06 -2.37 0.07 0.00 0.00 179.01 175.05 2kcv n THR 35 N -4.23 1.70 -3.60 -1.06 5.66 -0.55 -4.76 114.28 107.46 2kcv n THR 35 Ca -0.02 -0.67 -0.27 0.00 -3.05 0.00 0.00 64.05 60.04 2kcv n THR 35 Cb 0.31 -1.56 -0.11 0.00 -1.55 0.00 0.00 70.33 67.42 2kcv n THR 35 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2kcv n ASP 36 N -3.37 1.31 0.12 1.09 9.92 -0.57 -4.97 116.55 120.07 2kcv n ASP 36 Ca -0.33 -2.82 0.11 0.00 -0.53 0.00 0.00 54.79 51.22 2kcv n ASP 36 Cb 1.04 -0.65 0.47 0.00 -0.64 0.00 0.00 41.12 41.34 2kcv n ASP 36 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2kcv n PRO 37 N 2.25 0.15 0.17 -0.24 -0.02 -0.85 -2.12 135.00 134.34 2kcv n PRO 37 Ca 0.25 0.45 0.09 0.00 -2.02 0.00 0.00 63.50 62.27 2kcv n PRO 37 Cb 0.42 -1.83 0.09 0.00 -0.02 0.00 0.00 33.50 32.16 2kcv n PRO 37 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2kcv h ASP 38 N 0.00 0.00 -0.60 2.55 2.03 -1.90 -3.43 116.42 115.07 2kcv h ASP 38 Ca 0.00 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.07 2kcv h ASP 38 Cb 0.26 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.73 2kcv h ASP 38 CO 0.00 0.17 0.59 -0.47 -1.03 0.00 0.00 179.24 178.50 2kcv s TYR 39 N -3.15 1.66 0.30 4.15 6.14 -0.90 -4.74 117.35 120.80 2kcv s TYR 39 Ca 0.04 0.96 0.02 0.00 0.64 0.00 0.00 57.07 58.73 2kcv s TYR 39 Cb 0.07 -3.89 0.47 0.00 0.42 0.00 0.00 41.96 39.03 2kcv s TYR 39 CO 0.72 -1.63 1.80 0.28 0.64 0.00 0.00 175.55 177.35 2kcv h VAL 40 N 7.25 1.23 -0.02 3.14 2.07 -1.88 -3.05 116.25 124.99 2kcv h VAL 40 Ca 0.08 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 2kcv h VAL 40 Cb 1.00 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2kcv h VAL 40 CO 1.16 0.33 0.01 1.23 0.02 0.00 0.00 177.57 180.32 2kcv h GLY 41 N 0.93 0.03 0.89 2.17 0.00 -1.99 -1.64 103.07 103.46 2kcv h GLY 41 Ca 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 2kcv h GLY 41 CO 0.02 0.01 -0.00 -0.84 0.00 0.00 0.00 176.54 175.73 2kcv h THR 42 N 0.03 1.08 -0.72 4.70 2.02 -1.93 -3.20 112.91 114.89 2kcv h THR 42 Ca 0.01 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 66.96 2kcv h THR 42 Cb 0.01 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 2kcv h THR 42 CO -0.00 0.06 0.46 1.88 0.37 0.00 0.00 175.52 178.29 2kcv h TYR 43 N -0.11 0.86 0.39 3.16 0.05 -1.42 0.74 116.97 120.64 2kcv h TYR 43 Ca -0.00 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 2kcv h TYR 43 Cb 0.11 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.55 2kcv h TYR 43 CO -0.04 0.50 -0.33 -0.92 -1.05 0.00 0.00 178.16 176.32 2kcv h TYR 44 N 0.90 -0.91 -0.61 4.88 3.20 -1.65 -2.23 116.97 120.56 2kcv h TYR 44 Ca 0.28 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 2kcv h TYR 44 Cb -0.01 0.35 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 2kcv h TYR 44 CO -0.04 -0.46 0.26 0.45 -1.64 0.00 0.00 178.16 176.74 2kcv h HIS 45 N -0.70 0.87 -0.65 -3.82 3.86 -1.46 -0.21 115.15 113.04 2kcv h HIS 45 Ca -0.05 -0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.06 2kcv h HIS 45 Cb 0.59 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 2kcv h HIS 45 CO -0.15 0.66 0.20 1.25 0.86 0.00 0.00 177.93 180.76 2kcv h LEU 46 N 0.86 0.95 -0.59 2.43 5.85 -0.94 -1.75 115.31 122.13 2kcv h LEU 46 Ca 0.21 -0.21 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 2kcv h LEU 46 Cb 0.14 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2kcv h LEU 46 CO -0.02 0.91 -0.61 1.23 -0.34 0.00 0.00 178.44 179.61 2kcv h GLY 47 N 0.94 0.35 1.55 3.75 0.00 -0.63 -1.89 103.07 107.14 2kcv h GLY 47 Ca 0.21 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 47.00 2kcv h GLY 47 CO -0.01 0.39 -0.28 0.50 0.00 0.00 0.00 176.54 177.15 2kcv h LYS 48 N 0.24 0.52 -0.31 4.80 1.79 -0.90 -0.57 116.57 122.14 2kcv h LYS 48 Ca -0.01 -0.21 -0.11 0.00 -2.18 0.00 0.00 60.65 58.15 2kcv h LYS 48 Cb 1.13 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.74 2kcv h LYS 48 CO 0.10 0.75 -0.25 1.25 -1.08 0.00 0.00 179.45 180.21 2kcv h LEU 49 N 0.45 0.61 -0.99 2.94 5.85 -1.16 -1.99 115.31 121.02 2kcv h LEU 49 Ca 0.06 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.49 2kcv h LEU 49 Cb 0.72 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 2kcv h LEU 49 CO 0.05 0.85 -0.05 1.88 -0.34 0.00 0.00 178.44 180.83 2kcv h TYR 50 N 0.53 0.71 0.00 1.25 0.05 -0.88 -0.71 116.97 117.92 2kcv h TYR 50 Ca 0.07 -0.10 -0.03 0.00 0.05 0.00 0.00 58.73 58.72 2kcv h TYR 50 Cb 0.72 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 38.26 2kcv h TYR 50 CO 0.03 0.71 -0.13 0.93 -1.05 0.00 0.00 178.16 178.64 2kcv h GLU 51 N 0.62 0.00 0.22 4.88 5.08 -0.62 0.12 114.58 124.88 2kcv h GLU 51 Ca 0.12 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.16 2kcv h GLU 51 Cb 0.47 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.74 2kcv h GLU 51 CO 0.02 0.13 -1.49 0.00 -1.00 0.00 0.00 179.01 176.68 2kcv h ARG 52 N 0.00 0.46 -0.62 2.33 3.08 -0.86 -3.37 114.38 115.40 2kcv h ARG 52 Ca -0.00 -0.78 0.00 0.00 0.07 0.00 0.00 59.98 59.27 2kcv h ARG 52 Cb 0.45 0.29 0.00 0.00 0.08 0.00 0.00 29.97 30.79 2kcv h ARG 52 CO 0.02 1.37 0.00 1.28 -1.07 0.00 0.00 179.97 181.57 2kcv n LEU 53 N -3.74 2.75 -1.55 3.04 4.77 -0.32 -4.89 117.00 117.06 2kcv n LEU 53 Ca -0.20 -1.39 -0.19 0.00 -0.03 0.00 0.00 56.01 54.20 2kcv n LEU 53 Cb 1.05 -0.45 -0.08 0.00 -2.33 0.00 0.00 43.42 41.61 2kcv n LEU 53 CO 0.55 0.45 -0.19 0.47 -1.33 0.00 0.00 177.39 177.35 2kcv n ASP 54 N 0.41 -5.23 -2.60 -1.43 8.00 -1.05 -4.88 116.55 109.77 2kcv n ASP 54 Ca 0.13 0.48 -0.31 0.00 0.71 0.00 0.00 54.79 55.80 2kcv n ASP 54 Cb 0.55 -4.61 -0.02 0.00 -0.02 0.00 0.00 41.12 37.01 2kcv n ASP 54 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kcv n ARG 55 N -2.25 2.49 -0.36 -1.24 5.12 0.39 -4.74 116.66 116.07 2kcv n ARG 55 Ca -0.19 -2.69 0.03 0.00 -1.93 0.00 0.00 57.85 53.06 2kcv n ARG 55 Cb 0.65 -2.17 0.18 0.00 -1.16 0.00 0.00 32.46 29.96 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 1.94 1.09 -0.74 0.55 2.02 -1.90 -0.81 112.91 115.06 2kcv h THR 56 Ca 0.45 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 2kcv h THR 56 Cb 0.52 -0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.71 2kcv h THR 56 CO 1.06 0.21 0.41 -0.78 0.37 0.00 0.00 175.52 176.79 2kcv h ASP 57 N 1.17 0.93 -0.12 4.18 3.58 -1.93 -1.55 116.42 122.68 2kcv h ASP 57 Ca 0.43 -0.10 -0.11 0.00 0.42 0.00 0.00 57.03 57.67 2kcv h ASP 57 Cb 0.16 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 2kcv h ASP 57 CO -0.17 0.76 -0.29 0.44 -2.88 0.00 0.00 179.24 177.11 2kcv h ASP 58 N 1.03 0.60 0.06 2.28 5.19 -1.74 -3.03 116.42 120.82 2kcv h ASP 58 Ca 0.26 -0.23 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2kcv h ASP 58 Cb 0.03 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.38 2kcv h ASP 58 CO -0.04 0.86 -0.04 0.00 -3.12 0.00 0.00 179.24 176.90 2kcv h ALA 59 N 1.18 -0.09 -0.98 3.45 0.00 -0.40 -1.66 119.26 120.76 2kcv h ALA 59 Ca 0.07 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2kcv h ALA 59 Cb 0.76 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 2kcv h ALA 59 CO 0.06 -0.55 0.64 0.82 0.00 0.00 0.00 179.25 180.22 2kcv h ILE 60 N -0.10 1.21 -0.54 0.00 1.08 -1.27 -0.27 117.51 117.63 2kcv h ILE 60 Ca -0.01 -0.44 -0.12 0.00 -0.39 0.00 0.00 64.86 63.91 2kcv h ILE 60 Cb 0.08 -0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 33.63 2kcv h ILE 60 CO 0.01 0.23 -0.12 -0.78 -0.69 0.00 0.00 178.15 176.80 2kcv h ASP 61 N 1.28 1.04 -0.39 1.72 3.58 -1.43 -0.57 116.42 121.65 2kcv h ASP 61 Ca 0.37 -0.36 -0.08 0.00 0.42 0.00 0.00 57.03 57.38 2kcv h ASP 61 Cb -0.08 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.68 2kcv h ASP 61 CO -0.10 1.16 -0.08 0.74 -2.88 0.00 0.00 179.24 178.07 2kcv h THR 62 N 0.91 1.27 -0.53 2.25 2.02 -0.62 -1.49 112.91 116.72 2kcv h THR 62 Ca 0.14 -1.16 -0.11 0.00 0.77 0.00 0.00 66.41 66.05 2kcv h THR 62 Cb 0.70 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 2kcv h THR 62 CO 0.05 0.39 -0.09 1.88 0.37 0.00 0.00 175.52 178.11 2kcv h TYR 63 N 0.56 1.12 0.23 3.16 0.05 -1.03 -0.79 116.97 120.27 2kcv h TYR 63 Ca 0.10 -0.23 -0.01 0.00 0.05 0.00 0.00 58.73 58.64 2kcv h TYR 63 Cb 0.59 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.06 2kcv h TYR 63 CO 0.05 1.04 -0.11 0.00 -1.05 0.00 0.00 178.16 178.09 2kcv h ALA 64 N 0.92 -0.31 -0.95 3.88 0.00 -1.03 0.19 119.26 121.96 2kcv h ALA 64 Ca 0.14 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.03 2kcv h ALA 64 Cb 0.66 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 2kcv h ALA 64 CO 0.05 -0.67 0.62 0.37 0.00 0.00 0.00 179.25 179.62 2kcv h GLN 65 N -0.33 1.08 -0.77 0.00 -0.00 -1.29 -1.85 115.11 111.96 2kcv h GLN 65 Ca -0.03 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.65 58.55 2kcv h GLN 65 Cb 0.25 -0.24 -0.04 0.00 0.00 0.00 0.00 27.48 27.45 2kcv h GLN 65 CO 0.05 0.72 0.46 0.78 0.00 0.00 0.00 178.83 180.83 2kcv h GLY 66 N 1.11 1.12 0.88 2.39 0.00 -0.75 -3.04 103.07 104.79 2kcv h GLY 66 Ca 0.40 -0.48 0.04 0.00 0.00 0.00 0.00 47.33 47.29 2kcv h GLY 66 CO -0.15 0.46 0.63 -2.22 0.00 0.00 0.00 176.54 175.26 2kcv h ILE 67 N 1.06 1.17 -0.07 2.60 2.04 0.22 0.27 117.51 124.79 2kcv h ILE 67 Ca 0.28 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 2kcv h ILE 67 Cb -0.02 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 35.89 2kcv h ILE 67 CO -0.05 0.22 0.04 -0.33 0.00 0.00 0.00 178.15 178.03 2kcv h GLU 68 N 1.22 0.09 0.00 2.37 4.39 -1.42 -2.00 114.58 119.24 2kcv h GLU 68 Ca 0.39 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.07 2kcv h GLU 68 Cb 0.00 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2kcv h GLU 68 CO -0.12 0.13 -0.15 -0.39 -1.16 0.00 0.00 179.01 177.32 2kcv h VAL 69 N 0.03 0.02 -0.06 3.13 -1.51 -1.37 -3.11 116.25 113.37 2kcv h VAL 69 Ca 0.02 -1.03 -0.17 0.00 -1.23 0.00 0.00 66.70 64.30 2kcv h VAL 69 Cb 0.06 1.94 0.01 0.00 -2.13 0.00 0.00 31.29 31.18 2kcv h VAL 69 CO -0.00 0.01 -0.61 0.00 -1.23 0.00 0.00 177.57 175.74 2kcv h ALA 70 N 1.99 0.16 -0.04 5.19 0.00 -0.28 0.25 119.26 126.53 2kcv h ALA 70 Ca -0.00 -0.55 -0.15 0.00 0.00 0.00 0.00 54.91 54.20 2kcv h ALA 70 Cb 1.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2kcv h ALA 70 CO 0.00 0.43 -0.66 0.07 0.00 0.00 0.00 179.25 179.09 2kcv h ARG 71 N 0.11 0.18 0.00 0.00 0.11 -1.45 -2.63 114.38 110.69 2kcv h ARG 71 Ca -0.06 -0.13 -0.07 0.00 0.10 0.00 0.00 59.98 59.81 2kcv h ARG 71 Cb 1.28 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.37 2kcv h ARG 71 CO 0.12 0.77 -0.65 0.93 0.10 0.00 0.00 179.97 181.25 2kcv h GLU 72 N 0.12 0.00 0.05 0.08 4.39 -1.61 -3.44 114.58 114.18 2kcv h GLU 72 Ca -0.01 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.31 2kcv h GLU 72 Cb 1.18 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.79 2kcv h GLU 72 CO 0.10 0.38 -2.26 0.39 -1.16 0.00 0.00 179.01 176.46 2kcv n GLU 73 N -4.58 0.70 -0.28 2.33 -0.58 -0.01 -4.99 120.64 113.22 2kcv n GLU 73 Ca -0.14 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 2kcv n GLU 73 Cb 0.38 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 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 2.11 0.09 3.96 0.62 0.00 -0.66 -5.00 105.19 106.31 2kcv n GLY 74 Ca -0.39 -1.83 -0.23 0.00 0.00 0.00 0.00 46.02 43.57 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 0.01 2.41 0.35 2.61 -4.23 -1.22 -4.67 115.64 110.89 2kcv s THR 75 Ca 0.00 -0.50 0.17 0.00 -1.18 0.00 0.00 61.69 60.18 2kcv s THR 75 Cb 0.00 -2.90 0.14 0.00 1.34 0.00 0.00 72.50 71.08 2kcv s THR 75 CO 0.00 0.00 1.87 -0.61 -0.54 0.00 0.00 174.62 175.34 2kcv h GLN 76 N -0.33 0.00 -0.01 3.99 5.75 -1.93 -2.32 115.11 120.25 2kcv h GLN 76 Ca -0.42 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.08 2kcv h GLN 76 Cb 1.29 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.84 2kcv h GLN 76 CO 0.52 0.31 0.01 -0.22 -2.65 0.00 0.00 178.83 176.80 2kcv h LYS 77 N 0.00 0.02 -0.90 1.69 3.64 -1.94 -2.03 116.57 117.05 2kcv h LYS 77 Ca -0.00 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2kcv h LYS 77 Cb 0.62 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 2kcv h LYS 77 CO 0.04 0.05 0.59 -0.44 -2.27 0.00 0.00 179.45 177.42 2kcv h ASP 78 N -0.02 1.05 -0.01 4.20 3.32 -1.79 -0.98 116.42 122.19 2kcv h ASP 78 Ca 0.01 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.03 2kcv h ASP 78 Cb 0.04 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 2kcv h ASP 78 CO -0.00 0.77 -0.07 0.25 -1.72 0.00 0.00 179.24 178.47 2kcv h LEU 79 N 1.23 -0.20 -1.16 1.55 5.85 -1.41 -2.71 115.31 118.46 2kcv h LEU 79 Ca 0.33 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 59.06 2kcv h LEU 79 Cb -0.12 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2kcv h LEU 79 CO -0.07 -0.10 0.31 -1.28 -0.34 0.00 0.00 178.44 176.96 2kcv h SER 80 N -0.12 0.80 -0.19 1.25 0.87 -0.57 -2.44 113.55 113.15 2kcv h SER 80 Ca 0.03 -0.08 -0.20 0.00 -1.23 0.00 0.00 61.79 60.31 2kcv h SER 80 Cb 0.16 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2kcv h SER 80 CO -0.08 0.68 -0.66 -0.33 -0.53 0.00 0.00 176.83 175.91 2kcv h GLU 81 N 0.89 0.81 -0.02 2.24 4.39 -1.12 -1.43 114.58 120.35 2kcv h GLU 81 Ca 0.22 -0.58 -0.16 0.00 0.34 0.00 0.00 59.36 59.18 2kcv h GLU 81 Cb 0.09 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 2kcv h GLU 81 CO -0.03 1.21 -0.72 -0.07 -1.16 0.00 0.00 179.01 178.23 2kcv h LEU 82 N 0.59 0.13 -0.36 1.33 3.38 -1.35 0.05 115.31 119.09 2kcv h LEU 82 Ca -0.02 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 2kcv h LEU 82 Cb 1.27 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 2kcv h LEU 82 CO 0.14 0.81 -0.15 1.56 0.09 0.00 0.00 178.44 180.89 2kcv h GLN 83 N 0.07 0.73 -0.47 1.13 4.20 -1.44 -2.50 115.11 116.83 2kcv h GLN 83 Ca -0.02 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.36 2kcv h GLN 83 Cb 1.28 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.01 2kcv h GLN 83 CO 0.10 0.92 0.21 0.22 -0.67 0.00 0.00 178.83 179.61 2kcv h ASP 84 N 0.52 0.63 -0.18 1.46 3.58 -1.12 -2.73 116.42 118.58 2kcv h ASP 84 Ca 0.08 -0.15 -0.14 0.00 0.42 0.00 0.00 57.03 57.24 2kcv h ASP 84 Cb 0.68 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 2kcv h ASP 84 CO 0.05 0.60 -0.38 0.00 -2.88 0.00 0.00 179.24 176.63 2kcv h ALA 85 N 1.05 0.75 -0.31 -0.78 0.00 -1.00 -2.72 119.26 116.26 2kcv h ALA 85 Ca 0.16 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 2kcv h ALA 85 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2kcv h ALA 85 CO -0.02 0.66 -0.26 1.57 0.00 0.00 0.00 179.25 181.21 2kcv h LYS 86 N 0.59 0.73 -0.27 0.00 2.10 -1.46 -2.76 116.57 115.49 2kcv h LYS 86 Ca 0.05 -0.36 -0.11 0.00 -2.00 0.00 0.00 60.65 58.23 2kcv h LYS 86 Cb 0.92 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.24 2kcv h LYS 86 CO 0.08 0.98 -0.30 1.37 -2.00 0.00 0.00 179.45 179.58 2kcv h LEU 87 N 0.49 0.57 -0.31 7.07 8.10 -1.40 0.11 115.31 129.94 2kcv h LEU 87 Ca 0.06 -0.22 -0.14 0.00 0.11 0.00 0.00 57.88 57.69 2kcv h LEU 87 Cb 0.82 -0.16 -0.00 0.00 -0.44 0.00 0.00 40.66 40.88 2kcv h LEU 87 CO 0.07 0.85 -0.33 0.07 -4.11 0.00 0.00 178.44 174.98 2kcv h LYS 88 N 0.48 0.77 -0.14 0.17 2.10 -1.59 -2.79 116.57 115.57 2kcv h LYS 88 Ca 0.06 -0.42 -0.07 0.00 -2.00 0.00 0.00 60.65 58.22 2kcv h LYS 88 Cb 0.76 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.10 2kcv h LYS 88 CO 0.06 1.05 -0.24 0.00 -2.00 0.00 0.00 179.45 178.32 2kcv h ALA 89 N 0.71 1.35 -0.04 0.07 0.00 -1.17 -1.76 119.26 118.43 2kcv h ALA 89 Ca 0.05 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2kcv h ALA 89 Cb 0.92 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2kcv h ALA 89 CO 0.08 0.45 -0.24 0.93 0.00 0.00 0.00 179.25 180.47 2kcv h GLU 90 N 0.22 0.07 0.00 0.00 5.08 -0.74 -2.01 114.58 117.20 2kcv h GLU 90 Ca 0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2kcv h GLU 90 Cb 0.54 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2kcv h GLU 90 CO 0.04 0.31 0.00 0.78 -1.00 0.00 0.00 179.01 179.14 2kcv h GLY 91 N 0.80 0.00 0.22 -3.84 0.00 -1.04 -0.45 103.07 98.77 2kcv h GLY 91 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2kcv h GLY 91 CO 0.03 0.00 -0.09 1.41 0.00 0.00 0.00 176.54 177.90 2kcv h LEU 92 N 0.00 -0.21 0.00 3.11 3.38 -1.35 -3.47 115.31 116.77 2kcv h LEU 92 Ca 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2kcv h LEU 92 Cb 0.15 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2kcv h LEU 92 CO 0.00 0.31 0.00 -1.84 0.09 0.00 0.00 178.44 177.00 2kcv n GLU 93 N -4.93 1.27 0.00 1.13 0.28 -1.20 -4.92 120.64 112.27 2kcv n GLU 93 Ca -0.05 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.00 2kcv n GLU 93 Cb 0.16 -0.13 0.30 0.00 1.43 0.00 0.00 31.44 33.20 2kcv n GLU 93 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2kcv n HIS 94 N -0.10 0.00 -2.45 -1.84 -0.00 -1.06 -4.93 115.22 104.84 2kcv n HIS 94 Ca 0.00 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.16 2kcv n HIS 94 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2kcv n HIS 94 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kcv n HIS 95 N -0.66 -2.96 -1.87 1.57 8.25 -0.23 -4.85 115.22 114.47 2kcv n HIS 95 Ca 0.08 1.29 -0.39 0.00 -0.26 0.00 0.00 57.72 58.43 2kcv n HIS 95 Cb 0.03 -3.44 -0.03 0.00 1.12 0.00 0.00 29.99 27.68 2kcv n HIS 95 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kcv s HIS 96 N -1.49 1.51 0.43 4.41 2.46 -0.90 -4.91 115.29 116.80 2kcv s HIS 96 Ca 0.05 0.92 -0.24 0.00 0.47 0.00 0.00 55.06 56.26 2kcv s HIS 96 Cb -0.01 -3.96 -0.08 0.00 -0.13 0.00 0.00 32.58 28.40 2kcv s HIS 96 CO 0.60 -2.69 1.16 -3.38 -2.47 0.00 0.00 174.74 167.96 2kcv s HIS 97 N 9.23 2.98 0.00 3.88 -3.43 -1.26 -4.96 115.29 121.73 2kcv s HIS 97 Ca 0.81 1.55 0.00 0.00 -0.80 0.00 0.00 55.06 56.62 2kcv s HIS 97 Cb -0.18 -3.37 0.00 0.00 -1.43 0.00 0.00 32.58 27.60 2kcv s HIS 97 CO 0.27 -1.38 0.12 0.72 -2.00 0.00 0.00 174.74 172.47 2kcv n HIS 98 N -0.21 0.00 0.00 0.38 8.25 -1.26 -5.11 115.22 117.26 2kcv n HIS 98 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2kcv n HIS 98 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 2kcv n HIS 98 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59