#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcv n ASP 2 N 0.00 3.83 0.00 4.31 9.92 -1.26 -4.88 116.55 128.47 2kcv n ASP 2 Ca 0.00 1.01 0.06 0.00 -0.53 0.00 0.00 54.79 55.33 2kcv n ASP 2 Cb 0.00 -1.51 0.36 0.00 -0.64 0.00 0.00 41.12 39.33 2kcv n ASP 2 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2kcv n PRO 3 N 5.17 0.80 0.00 -0.24 -0.04 -1.26 -2.01 135.00 137.42 2kcv n PRO 3 Ca 0.18 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.77 2kcv n PRO 3 Cb 0.35 -1.24 0.37 0.00 -0.04 0.00 0.00 33.50 32.94 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 -0.74 0.10 -2.02 0.54 1.02 -1.26 -4.46 120.64 113.82 2kcv n GLU 4 Ca 0.09 -0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.76 2kcv n GLU 4 Cb 0.04 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.93 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 -2.93 6.67 0.08 1.62 -1.08 -0.85 -4.97 116.67 115.21 2kcv s ASP 5 Ca 0.14 2.47 -0.36 0.00 -0.52 0.00 0.00 52.55 54.28 2kcv s ASP 5 Cb 0.18 -2.58 -0.18 0.00 -1.46 0.00 0.00 42.92 38.88 2kcv s ASP 5 CO 0.63 -0.78 1.57 1.55 0.52 0.00 0.00 175.17 178.66 2kcv h PRO 6 N 7.18 -1.05 -0.84 4.34 0.13 -1.91 -2.04 132.00 137.81 2kcv h PRO 6 Ca -0.42 0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.76 2kcv h PRO 6 Cb 1.20 0.24 -0.04 0.00 0.13 0.00 0.00 31.00 32.53 2kcv h PRO 6 CO 0.90 -0.70 0.45 0.35 -0.23 0.00 0.00 178.00 178.77 2kcv h PHE 7 N -1.09 1.17 0.40 1.56 3.57 -1.98 -1.28 116.94 119.29 2kcv h PHE 7 Ca -0.08 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 2kcv h PHE 7 Cb 0.91 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 2kcv h PHE 7 CO -0.19 0.82 -0.31 1.15 -2.23 0.00 0.00 178.31 177.56 2kcv h THR 8 N 1.18 0.36 0.00 4.41 2.02 -1.88 -0.87 112.91 118.13 2kcv h THR 8 Ca 0.29 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.36 2kcv h THR 8 Cb 0.06 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 2kcv h THR 8 CO -0.04 0.00 -0.55 0.08 0.37 0.00 0.00 175.52 175.38 2kcv h ARG 9 N -0.70 0.00 0.20 6.66 0.11 -1.34 -0.64 114.38 118.67 2kcv h ARG 9 Ca -0.04 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.03 2kcv h ARG 9 Cb 0.60 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.69 2kcv h ARG 9 CO -0.00 0.55 -0.10 -0.92 0.10 0.00 0.00 179.97 179.60 2kcv h TYR 10 N 0.00 -0.25 -0.35 4.08 3.20 -1.13 -0.05 116.97 122.47 2kcv h TYR 10 Ca -0.01 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.76 2kcv h TYR 10 Cb 1.13 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.47 2kcv h TYR 10 CO 0.00 0.10 -0.19 0.00 -1.64 0.00 0.00 178.16 176.42 2kcv h ALA 11 N 0.07 1.01 -0.77 1.82 0.00 -1.17 -2.06 119.26 118.17 2kcv h ALA 11 Ca -0.03 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 2kcv h ALA 11 Cb 0.45 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2kcv h ALA 11 CO 0.04 0.59 0.30 1.25 0.00 0.00 0.00 179.25 181.43 2kcv h LEU 12 N 0.59 1.06 -0.57 0.00 5.85 -1.13 -1.97 115.31 119.14 2kcv h LEU 12 Ca 0.09 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 2kcv h LEU 12 Cb 0.66 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2kcv h LEU 12 CO 0.05 0.94 0.08 0.00 -0.34 0.00 0.00 178.44 179.17 2kcv h ALA 13 N 1.21 0.76 -0.59 1.25 0.00 -0.65 -0.18 119.26 121.06 2kcv h ALA 13 Ca 0.26 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2kcv h ALA 13 Cb 0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2kcv h ALA 13 CO -0.02 0.52 0.29 1.96 0.00 0.00 0.00 179.25 182.00 2kcv h GLN 14 N 0.85 0.82 -0.28 0.00 4.20 -1.17 -1.56 115.11 117.98 2kcv h GLN 14 Ca 0.17 -0.10 -0.16 0.00 0.06 0.00 0.00 58.65 58.62 2kcv h GLN 14 Cb 0.43 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2kcv h GLN 14 CO 0.01 0.63 -0.47 0.93 -0.67 0.00 0.00 178.83 179.26 2kcv h GLU 15 N 0.82 0.74 -0.80 1.46 4.39 -0.98 -2.69 114.58 117.53 2kcv h GLU 15 Ca 0.21 -0.43 0.06 0.00 0.34 0.00 0.00 59.36 59.54 2kcv h GLU 15 Cb 0.07 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.70 2kcv h GLU 15 CO -0.03 1.05 0.48 0.45 -1.16 0.00 0.00 179.01 179.80 2kcv h HIS 16 N 0.59 0.88 -0.49 4.33 3.86 -0.50 -0.48 115.15 123.34 2kcv h HIS 16 Ca 0.03 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.29 2kcv h HIS 16 Cb 1.04 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 29.19 2kcv h HIS 16 CO 0.05 0.44 0.28 -0.07 0.86 0.00 0.00 177.93 179.50 2kcv h LEU 17 N 0.87 0.45 -1.35 2.43 3.38 -1.18 0.24 115.31 120.15 2kcv h LEU 17 Ca 0.35 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.28 2kcv h LEU 17 Cb 0.18 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2kcv h LEU 17 CO -0.18 0.32 -0.13 0.11 0.09 0.00 0.00 178.44 178.65 2kcv h LYS 18 N 0.57 0.28 -0.28 1.13 1.57 -1.10 -2.08 116.57 116.65 2kcv h LYS 18 Ca 0.20 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2kcv h LYS 18 Cb 0.04 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2kcv h LYS 18 CO -0.10 0.41 0.00 0.72 -0.57 0.00 0.00 179.45 179.91 2kcv n HIS 19 N -4.26 0.33 -0.29 -1.35 8.25 -0.24 -4.90 115.22 112.76 2kcv n HIS 19 Ca -0.00 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2kcv n HIS 19 Cb 0.28 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.37 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 0.16 0.00 -3.65 0.41 2.03 -0.78 -4.93 116.55 109.79 2kcv n ASP 20 Ca 0.08 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.97 2kcv n ASP 20 Cb 0.22 -0.48 -0.01 0.00 -0.72 0.00 0.00 41.12 40.13 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 0.00 4.91 -0.12 1.67 5.03 0.78 -4.69 115.26 122.83 2kcv n ASN 21 Ca 0.00 -2.80 -0.12 0.00 0.87 0.00 0.00 54.58 52.53 2kcv n ASN 21 Cb 0.00 -1.63 -0.03 0.00 -1.02 0.00 0.00 39.78 37.10 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 5.78 0.51 0.00 5.41 0.00 -1.86 -2.56 119.26 126.54 2kcv h ALA 22 Ca 0.63 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2kcv h ALA 22 Cb 0.57 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2kcv h ALA 22 CO 1.86 0.44 -0.26 1.03 0.00 0.00 0.00 179.25 182.32 2kcv h SER 23 N 0.54 0.00 -0.00 0.00 0.87 -1.95 0.78 113.55 113.79 2kcv h SER 23 Ca 0.08 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.40 2kcv h SER 23 Cb 0.71 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.69 2kcv h SER 23 CO 0.05 0.26 -0.95 0.03 -0.53 0.00 0.00 176.83 175.69 2kcv h ARG 24 N 0.00 0.64 -0.36 2.24 2.47 -1.93 -2.65 114.38 114.80 2kcv h ARG 24 Ca -0.00 -0.69 -0.05 0.00 -1.26 0.00 0.00 59.98 57.97 2kcv h ARG 24 Cb 0.46 0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.96 2kcv h ARG 24 CO 0.03 1.28 -0.01 0.00 0.56 0.00 0.00 179.97 181.84 2kcv h ALA 25 N 0.38 1.31 0.29 0.04 0.00 -1.23 -2.83 119.26 117.23 2kcv h ALA 25 Ca -0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2kcv h ALA 25 Cb 1.61 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 2kcv h ALA 25 CO 0.19 0.47 -0.16 1.25 0.00 0.00 0.00 179.25 181.00 2kcv h LEU 26 N 0.54 -0.38 -0.71 0.00 5.85 -0.80 -2.11 115.31 117.70 2kcv h LEU 26 Ca 0.11 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.99 2kcv h LEU 26 Cb 0.36 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.40 2kcv h LEU 26 CO 0.01 -0.26 0.25 0.00 -0.34 0.00 0.00 178.44 178.10 2kcv h ALA 27 N 0.29 0.96 -0.50 1.25 0.00 -1.34 -0.26 119.26 119.65 2kcv h ALA 27 Ca -0.03 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2kcv h ALA 27 Cb 0.33 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2kcv h ALA 27 CO 0.05 -0.24 0.13 -0.07 0.00 0.00 0.00 179.25 179.12 2kcv h LEU 28 N 0.39 0.75 -0.14 0.00 3.38 -1.24 -1.39 115.31 117.06 2kcv h LEU 28 Ca 0.38 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 2kcv h LEU 28 Cb 0.58 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2kcv h LEU 28 CO -0.40 0.78 -0.26 -0.26 0.09 0.00 0.00 178.44 178.39 2kcv h PHE 29 N 0.68 0.53 -0.68 1.13 0.04 -0.97 -1.65 116.94 116.02 2kcv h PHE 29 Ca 0.16 -0.19 0.09 0.00 2.80 0.00 0.00 57.97 60.83 2kcv h PHE 29 Cb 0.32 -0.10 -0.07 0.00 2.20 0.00 0.00 35.95 38.30 2kcv h PHE 29 CO 0.02 0.88 0.32 0.93 -0.60 0.00 0.00 178.31 179.86 2kcv h GLU 30 N 0.03 0.53 -0.16 1.51 5.08 -1.03 -1.62 114.58 118.92 2kcv h GLU 30 Ca 0.01 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 2kcv h GLU 30 Cb 0.84 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2kcv h GLU 30 CO 0.06 0.35 -0.48 1.49 -1.00 0.00 0.00 179.01 179.43 2kcv h GLU 31 N 0.55 0.42 -0.81 2.33 4.81 -1.24 -2.73 114.58 117.90 2kcv h GLU 31 Ca 0.34 -0.23 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 2kcv h GLU 31 Cb 0.38 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 2kcv h GLU 31 CO -0.28 0.81 0.52 -0.07 -0.73 0.00 0.00 179.01 179.26 2kcv h LEU 32 N 0.34 0.86 0.31 1.64 3.38 -0.60 -0.54 115.31 120.70 2kcv h LEU 32 Ca 0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2kcv h LEU 32 Cb 0.97 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 2kcv h LEU 32 CO 0.08 0.59 -0.17 0.58 0.09 0.00 0.00 178.44 179.62 2kcv h VAL 33 N 1.01 0.65 0.00 1.22 2.07 -1.11 -0.03 116.25 120.07 2kcv h VAL 33 Ca 0.33 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.73 2kcv h VAL 33 Cb 0.02 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2kcv h VAL 33 CO -0.12 0.00 -0.54 1.05 0.02 0.00 0.00 177.57 177.98 2kcv h GLU 34 N -0.45 0.00 0.02 1.57 4.11 -1.33 -2.15 114.58 116.35 2kcv h GLU 34 Ca -0.04 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.11 2kcv h GLU 34 Cb 0.36 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 2kcv h GLU 34 CO 0.06 0.54 -1.56 0.00 0.07 0.00 0.00 179.01 178.12 2kcv h THR 35 N 0.00 1.04 -2.13 -1.06 1.03 -1.11 -3.43 112.91 107.25 2kcv h THR 35 Ca -0.01 -2.85 -0.43 0.00 -0.01 0.00 0.00 66.41 63.12 2kcv h THR 35 Cb 0.97 2.54 -0.33 0.00 -1.07 0.00 0.00 68.15 70.25 2kcv h THR 35 CO 0.07 0.64 -0.73 -0.62 -0.01 0.00 0.00 175.52 174.87 2kcv s ASP 36 N -6.34 1.68 0.00 0.00 2.15 -0.03 -5.00 116.67 109.14 2kcv s ASP 36 Ca -0.05 -1.73 0.02 0.00 0.43 0.00 0.00 52.55 51.22 2kcv s ASP 36 Cb 0.08 0.29 0.07 0.00 -0.30 0.00 0.00 42.92 43.06 2kcv s ASP 36 CO 0.82 -0.28 1.05 -0.81 -0.17 0.00 0.00 175.17 175.79 2kcv n PRO 37 N 4.22 0.00 -0.49 4.34 -0.04 -0.81 -2.92 135.00 139.30 2kcv n PRO 37 Ca 0.11 0.47 0.10 0.00 -0.04 0.00 0.00 63.50 64.14 2kcv n PRO 37 Cb 0.43 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.50 4.30 -4.28 3.54 9.92 -1.26 -4.81 116.55 122.46 2kcv n ASP 38 Ca 0.00 -2.22 -0.44 0.00 -0.53 0.00 0.00 54.79 51.60 2kcv n ASP 38 Cb 0.02 -0.53 -0.05 0.00 -0.64 0.00 0.00 41.12 39.91 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 -1.44 3.47 0.33 1.24 5.04 -1.15 -4.91 117.35 119.93 2kcv s TYR 39 Ca 0.50 -1.78 0.04 0.00 -2.44 0.00 0.00 57.07 53.38 2kcv s TYR 39 Cb 0.29 -3.69 0.57 0.00 0.35 0.00 0.00 41.96 39.48 2kcv s TYR 39 CO 0.29 -0.99 1.85 0.28 -1.34 0.00 0.00 175.55 175.64 2kcv h VAL 40 N 5.52 1.21 -0.50 3.14 2.07 -1.90 -2.85 116.25 122.94 2kcv h VAL 40 Ca -0.12 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.55 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 0.88 0.29 0.33 1.23 0.02 0.00 0.00 177.57 180.32 2kcv h GLY 41 N 0.87 0.69 0.81 2.17 0.00 -1.99 -2.11 103.07 103.50 2kcv h GLY 41 Ca 0.10 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.19 2kcv h GLY 41 CO 0.02 0.24 -0.12 -0.84 0.00 0.00 0.00 176.54 175.83 2kcv h THR 42 N 0.65 0.72 -0.58 4.70 2.02 -1.90 -3.19 112.91 115.33 2kcv h THR 42 Ca 0.19 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.39 2kcv h THR 42 Cb -0.03 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 2kcv h THR 42 CO -0.04 0.00 0.36 1.88 0.37 0.00 0.00 175.52 178.08 2kcv h TYR 43 N -0.25 0.67 0.69 3.16 0.05 -1.47 0.15 116.97 119.96 2kcv h TYR 43 Ca 0.01 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.78 2kcv h TYR 43 Cb 0.26 -0.22 0.01 0.00 1.01 0.00 0.00 36.73 37.79 2kcv h TYR 43 CO -0.14 0.39 -0.33 -0.92 -1.05 0.00 0.00 178.16 176.11 2kcv h TYR 44 N 0.71 -0.86 0.00 4.88 3.20 -1.65 -2.00 116.97 121.25 2kcv h TYR 44 Ca 0.23 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.00 2kcv h TYR 44 Cb 0.00 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 2kcv h TYR 44 CO -0.05 -0.53 -0.38 0.45 -1.64 0.00 0.00 178.16 176.01 2kcv h HIS 45 N -0.95 0.00 -0.13 -3.82 3.86 -1.44 -1.10 115.15 111.57 2kcv h HIS 45 Ca -0.09 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 58.91 2kcv h HIS 45 Cb 0.72 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.20 2kcv h HIS 45 CO -0.02 0.38 -0.72 1.25 0.86 0.00 0.00 177.93 179.68 2kcv h LEU 46 N 0.00 0.85 -0.17 2.43 5.85 -0.78 -2.83 115.31 120.67 2kcv h LEU 46 Ca -0.00 -0.64 -0.04 0.00 0.84 0.00 0.00 57.88 58.03 2kcv h LEU 46 Cb 0.72 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 2kcv h LEU 46 CO 0.05 1.36 -0.06 1.23 -0.34 0.00 0.00 178.44 180.68 2kcv h GLY 47 N 0.41 0.38 1.23 3.75 0.00 -0.78 -0.72 103.07 107.34 2kcv h GLY 47 Ca -0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2kcv h GLY 47 CO 0.15 0.30 0.43 0.50 0.00 0.00 0.00 176.54 177.92 2kcv h LYS 48 N 0.04 1.02 -0.51 4.80 1.79 -1.33 -1.87 116.57 120.51 2kcv h LYS 48 Ca 0.04 -0.10 -0.04 0.00 -2.18 0.00 0.00 60.65 58.37 2kcv h LYS 48 Cb 0.53 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 2kcv h LYS 48 CO 0.02 0.73 0.15 1.25 -1.08 0.00 0.00 179.45 180.52 2kcv h LEU 49 N 1.03 0.75 -0.52 2.94 5.85 -1.40 -2.99 115.31 120.98 2kcv h LEU 49 Ca 0.27 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.85 2kcv h LEU 49 Cb -0.01 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.76 2kcv h LEU 49 CO -0.05 0.77 0.17 1.88 -0.34 0.00 0.00 178.44 180.87 2kcv h TYR 50 N 0.70 0.29 -0.47 1.25 0.05 -0.46 -2.56 116.97 115.78 2kcv h TYR 50 Ca 0.16 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.99 2kcv h TYR 50 Cb 0.29 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 2kcv h TYR 50 CO 0.02 0.07 0.31 0.93 -1.05 0.00 0.00 178.16 178.45 2kcv h GLU 51 N 0.34 0.57 -0.39 4.88 5.08 -1.23 0.10 114.58 123.94 2kcv h GLU 51 Ca 0.26 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 2kcv h GLU 51 Cb 0.30 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2kcv h GLU 51 CO -0.28 0.38 -0.06 0.00 -1.00 0.00 0.00 179.01 178.06 2kcv h ARG 52 N 0.59 0.66 -0.47 2.33 3.08 -1.32 -2.29 114.38 116.95 2kcv h ARG 52 Ca 0.18 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2kcv h ARG 52 Cb 0.01 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.98 2kcv h ARG 52 CO -0.04 0.71 0.00 1.28 -1.07 0.00 0.00 179.97 180.85 2kcv n LEU 53 N -4.21 1.96 -1.15 3.04 4.77 -0.47 -4.89 117.00 116.05 2kcv n LEU 53 Ca 0.02 -0.99 -0.15 0.00 -0.03 0.00 0.00 56.01 54.86 2kcv n LEU 53 Cb 0.31 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 2kcv n LEU 53 CO 0.41 0.39 -0.14 -0.67 -1.33 0.00 0.00 177.39 176.04 2kcv n ASP 54 N 0.30 -5.34 -2.83 -1.43 2.03 -0.86 -4.89 116.55 103.53 2kcv n ASP 54 Ca 0.10 0.37 -0.35 0.00 0.52 0.00 0.00 54.79 55.43 2kcv n ASP 54 Cb 0.37 -4.16 0.00 0.00 -0.72 0.00 0.00 41.12 36.61 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 -1.85 2.87 0.14 -0.67 5.12 0.24 -4.70 116.66 117.81 2kcv n ARG 55 Ca -0.15 -3.16 0.03 0.00 -1.93 0.00 0.00 57.85 52.64 2kcv n ARG 55 Cb 0.58 -2.25 0.41 0.00 -1.16 0.00 0.00 32.46 30.04 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 2.04 1.17 -0.44 0.55 2.02 -1.85 -1.52 112.91 114.87 2kcv h THR 56 Ca 0.51 -0.75 -0.13 0.00 0.77 0.00 0.00 66.41 66.81 2kcv h THR 56 Cb 0.31 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 2kcv h THR 56 CO 1.22 0.23 -0.25 -0.78 0.37 0.00 0.00 175.52 176.30 2kcv h ASP 57 N 0.18 0.97 -0.83 4.18 3.58 -1.94 -1.43 116.42 121.12 2kcv h ASP 57 Ca 0.04 -0.38 0.02 0.00 0.42 0.00 0.00 57.03 57.13 2kcv h ASP 57 Cb 0.36 -0.27 -0.05 0.00 1.72 0.00 0.00 39.33 41.10 2kcv h ASP 57 CO 0.02 1.16 0.54 0.44 -2.88 0.00 0.00 179.24 178.53 2kcv h ASP 58 N 0.80 0.92 -0.17 2.28 5.19 -1.79 -2.70 116.42 120.96 2kcv h ASP 58 Ca 0.10 -0.02 0.01 0.00 -0.62 0.00 0.00 57.03 56.50 2kcv h ASP 58 Cb 0.82 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 2kcv h ASP 58 CO 0.07 0.65 0.10 0.00 -3.12 0.00 0.00 179.24 176.94 2kcv h ALA 59 N 1.32 0.21 -0.81 3.45 0.00 -0.82 -1.11 119.26 121.49 2kcv h ALA 59 Ca 0.32 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.26 2kcv h ALA 59 Cb -0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 2kcv h ALA 59 CO -0.09 -0.33 0.52 0.82 0.00 0.00 0.00 179.25 180.18 2kcv h ILE 60 N 0.20 1.13 -0.47 0.00 1.08 -1.12 -0.31 117.51 118.02 2kcv h ILE 60 Ca 0.06 -0.35 -0.12 0.00 -0.39 0.00 0.00 64.86 64.07 2kcv h ILE 60 Cb -0.01 0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 33.75 2kcv h ILE 60 CO -0.03 0.19 -0.18 -0.78 -0.69 0.00 0.00 178.15 176.66 2kcv h ASP 61 N 1.02 0.94 -0.16 1.72 1.82 -1.32 -1.27 116.42 119.16 2kcv h ASP 61 Ca 0.32 -0.33 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 2kcv h ASP 61 Cb 0.00 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 39.75 2kcv h ASP 61 CO -0.11 1.09 0.04 0.74 -1.61 0.00 0.00 179.24 179.39 2kcv h THR 62 N 0.81 1.20 -0.65 2.25 2.02 -0.48 -2.55 112.91 115.51 2kcv h THR 62 Ca 0.12 -0.64 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 2kcv h THR 62 Cb 0.73 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 2kcv h THR 62 CO 0.06 0.19 0.30 1.88 0.37 0.00 0.00 175.52 178.31 2kcv h TYR 63 N 0.06 0.96 -0.69 3.16 0.05 -1.05 -1.08 116.97 118.37 2kcv h TYR 63 Ca 0.05 -0.06 0.10 0.00 0.05 0.00 0.00 58.73 58.88 2kcv h TYR 63 Cb 0.26 -0.29 -0.08 0.00 1.01 0.00 0.00 36.73 37.63 2kcv h TYR 63 CO 0.01 0.73 0.31 0.00 -1.05 0.00 0.00 178.16 178.16 2kcv h ALA 64 N 1.13 0.94 -0.06 3.88 0.00 -1.13 0.16 119.26 124.19 2kcv h ALA 64 Ca 0.22 0.07 -0.20 0.00 0.00 0.00 0.00 54.91 55.01 2kcv h ALA 64 Cb 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2kcv h ALA 64 CO -0.02 -0.12 -0.80 0.37 0.00 0.00 0.00 179.25 178.68 2kcv h GLN 65 N 0.52 0.43 -0.84 0.00 -0.00 -1.28 -3.18 115.11 110.75 2kcv h GLN 65 Ca 0.35 -0.38 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 2kcv h GLN 65 Cb 0.43 0.09 -0.04 0.00 0.00 0.00 0.00 27.48 27.96 2kcv h GLN 65 CO -0.31 1.03 0.45 0.78 0.00 0.00 0.00 178.83 180.78 2kcv h GLY 66 N 1.24 1.26 0.76 2.39 0.00 -0.26 -3.15 103.07 105.30 2kcv h GLY 66 Ca -0.05 -0.58 0.06 0.00 0.00 0.00 0.00 47.33 46.76 2kcv h GLY 66 CO 0.14 0.56 0.56 -2.22 0.00 0.00 0.00 176.54 175.57 2kcv h ILE 67 N 1.17 1.07 -0.53 2.60 2.04 -0.70 0.38 117.51 123.55 2kcv h ILE 67 Ca 0.29 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 2kcv h ILE 67 Cb 0.04 -0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.04 2kcv h ILE 67 CO -0.05 0.19 0.32 -0.33 0.00 0.00 0.00 178.15 178.29 2kcv h GLU 68 N 1.04 0.72 0.00 2.37 5.08 -1.63 -2.58 114.58 119.58 2kcv h GLU 68 Ca 0.38 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2kcv h GLU 68 Cb 0.13 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 2kcv h GLU 68 CO -0.16 0.52 -0.57 -0.39 -1.00 0.00 0.00 179.01 177.41 2kcv h VAL 69 N 0.72 0.02 -0.21 3.13 -1.51 -1.48 -3.37 116.25 113.53 2kcv h VAL 69 Ca 0.19 -1.03 -0.11 0.00 -1.23 0.00 0.00 66.70 64.53 2kcv h VAL 69 Cb -0.02 1.73 -0.00 0.00 -2.13 0.00 0.00 31.29 30.87 2kcv h VAL 69 CO -0.04 0.01 -0.29 0.00 -1.23 0.00 0.00 177.57 176.02 2kcv h ALA 70 N 1.99 0.32 -0.76 5.19 0.00 0.14 0.76 119.26 126.90 2kcv h ALA 70 Ca -0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2kcv h ALA 70 Cb 1.01 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2kcv h ALA 70 CO 0.00 0.33 0.37 0.07 0.00 0.00 0.00 179.25 180.02 2kcv h ARG 71 N 0.25 1.09 0.00 0.00 0.11 -1.69 -2.45 114.38 111.69 2kcv h ARG 71 Ca 0.02 -0.15 -0.19 0.00 0.10 0.00 0.00 59.98 59.76 2kcv h ARG 71 Cb 0.86 -0.20 -0.03 0.00 1.11 0.00 0.00 29.97 31.71 2kcv h ARG 71 CO 0.07 0.83 -1.12 0.93 0.10 0.00 0.00 179.97 180.78 2kcv h GLU 72 N 1.08 0.00 0.01 0.08 5.08 -1.70 -3.42 114.58 115.71 2kcv h GLU 72 Ca 0.26 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2kcv h GLU 72 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2kcv h GLU 72 CO -0.03 0.84 -0.00 0.93 -1.00 0.00 0.00 179.01 179.74 2kcv h GLU 73 N -1.00 -0.01 0.00 2.33 4.39 -1.00 -3.48 114.58 115.82 2kcv h GLU 73 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 2kcv h GLU 73 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2kcv h GLU 73 CO -0.18 0.81 0.00 0.41 -1.16 0.00 0.00 179.01 178.90 2kcv n GLY 74 N 1.47 1.58 3.94 -3.84 0.00 -0.92 -5.06 105.19 102.36 2kcv n GLY 74 Ca -0.09 -2.04 -0.26 0.00 0.00 0.00 0.00 46.02 43.63 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 1.15 2.24 0.15 2.61 -4.23 -1.25 -4.59 115.64 111.72 2kcv s THR 75 Ca 0.00 -0.28 0.34 0.00 -1.18 0.00 0.00 61.69 60.57 2kcv s THR 75 Cb 0.00 -2.95 0.37 0.00 1.34 0.00 0.00 72.50 71.26 2kcv s THR 75 CO 0.00 0.00 2.03 -0.61 -0.54 0.00 0.00 174.62 175.50 2kcv h GLN 76 N -0.69 0.00 -0.18 3.99 4.15 -1.86 -1.89 115.11 118.62 2kcv h GLN 76 Ca -0.43 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 58.96 2kcv h GLN 76 Cb 1.30 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.99 2kcv h GLN 76 CO 0.56 0.00 0.01 -0.22 -1.93 0.00 0.00 178.83 177.24 2kcv h LYS 77 N 0.00 0.32 -0.68 1.69 3.64 -1.93 -0.52 116.57 119.09 2kcv h LYS 77 Ca 0.00 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 59.32 2kcv h LYS 77 Cb 0.29 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 2kcv h LYS 77 CO 0.00 0.52 0.41 -0.44 -2.27 0.00 0.00 179.45 177.66 2kcv h ASP 78 N 0.08 0.64 -0.50 4.20 3.32 -1.66 0.15 116.42 122.64 2kcv h ASP 78 Ca 0.05 0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.19 2kcv h ASP 78 Cb 0.37 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.74 2kcv h ASP 78 CO 0.01 0.43 0.17 0.25 -1.72 0.00 0.00 179.24 178.38 2kcv h LEU 79 N 0.77 0.16 -0.90 1.55 5.85 -1.43 -2.67 115.31 118.64 2kcv h LEU 79 Ca 0.29 0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.96 2kcv h LEU 79 Cb 0.10 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2kcv h LEU 79 CO -0.14 0.12 -0.47 -1.28 -0.34 0.00 0.00 178.44 176.33 2kcv h SER 80 N 0.34 0.20 -0.16 1.25 0.87 0.09 -2.36 113.55 113.77 2kcv h SER 80 Ca 0.24 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 2kcv h SER 80 Cb 0.27 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2kcv h SER 80 CO -0.26 0.64 0.01 -0.33 -0.53 0.00 0.00 176.83 176.37 2kcv h GLU 81 N 0.15 0.28 -0.13 2.24 4.39 -0.48 -1.38 114.58 119.65 2kcv h GLU 81 Ca 0.01 -0.08 -0.19 0.00 0.34 0.00 0.00 59.36 59.43 2kcv h GLU 81 Cb 0.89 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 2kcv h GLU 81 CO 0.07 0.48 -0.71 -0.07 -1.16 0.00 0.00 179.01 177.62 2kcv h LEU 82 N 0.05 0.69 -0.27 1.33 3.38 -1.44 -0.79 115.31 118.26 2kcv h LEU 82 Ca 0.05 -0.43 -0.08 0.00 0.09 0.00 0.00 57.88 57.50 2kcv h LEU 82 Cb 0.34 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2kcv h LEU 82 CO 0.01 1.19 -0.16 1.56 0.09 0.00 0.00 178.44 181.13 2kcv h GLN 83 N 0.41 0.58 -0.65 1.13 4.20 -1.47 -2.10 115.11 117.21 2kcv h GLN 83 Ca -0.03 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.37 2kcv h GLN 83 Cb 1.30 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.04 2kcv h GLN 83 CO 0.13 0.84 0.23 0.22 -0.67 0.00 0.00 178.83 179.58 2kcv h ASP 84 N 0.31 0.92 -0.18 1.46 3.58 -1.23 -2.40 116.42 118.87 2kcv h ASP 84 Ca 0.06 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.30 2kcv h ASP 84 Cb 0.68 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 2kcv h ASP 84 CO 0.04 0.86 0.05 0.00 -2.88 0.00 0.00 179.24 177.31 2kcv h ALA 85 N 1.09 0.24 -0.32 -0.78 0.00 -1.11 -2.72 119.26 115.66 2kcv h ALA 85 Ca 0.21 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2kcv h ALA 85 Cb 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2kcv h ALA 85 CO -0.01 -0.12 -0.09 1.57 0.00 0.00 0.00 179.25 180.60 2kcv h LYS 86 N 0.11 0.63 -0.57 0.00 2.10 -1.36 -2.01 116.57 115.46 2kcv h LYS 86 Ca 0.06 -0.24 -0.08 0.00 -2.00 0.00 0.00 60.65 58.38 2kcv h LYS 86 Cb 0.26 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.54 2kcv h LYS 86 CO 0.00 0.81 0.04 1.37 -2.00 0.00 0.00 179.45 179.67 2kcv h LEU 87 N 0.40 0.92 -0.49 7.07 8.10 -1.43 0.15 115.31 130.04 2kcv h LEU 87 Ca 0.08 -0.23 -0.16 0.00 0.11 0.00 0.00 57.88 57.68 2kcv h LEU 87 Cb 0.59 -0.25 -0.02 0.00 -0.44 0.00 0.00 40.66 40.54 2kcv h LEU 87 CO 0.03 0.96 -0.75 0.07 -4.11 0.00 0.00 178.44 174.64 2kcv h LYS 88 N 0.89 0.07 0.00 0.17 2.10 -1.52 -2.03 116.57 116.25 2kcv h LYS 88 Ca 0.17 -0.07 -0.13 0.00 -2.00 0.00 0.00 60.65 58.63 2kcv h LYS 88 Cb 0.47 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.80 2kcv h LYS 88 CO 0.02 0.79 -0.60 0.00 -2.00 0.00 0.00 179.45 177.65 2kcv h ALA 89 N 1.19 1.00 -0.13 0.07 0.00 -0.81 -2.47 119.26 118.11 2kcv h ALA 89 Ca -0.02 -0.55 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 2kcv h ALA 89 Cb 1.32 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2kcv h ALA 89 CO 0.10 0.75 -0.40 0.93 0.00 0.00 0.00 179.25 180.64 2kcv h GLU 90 N 0.00 0.29 -0.93 0.00 5.08 -0.62 -2.46 114.58 115.93 2kcv h GLU 90 Ca -0.01 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 2kcv h GLU 90 Cb 1.07 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2kcv h GLU 90 CO 0.08 0.65 0.04 0.41 -1.00 0.00 0.00 179.01 179.18 2kcv n GLY 91 N -0.19 2.04 0.20 -3.84 0.00 -0.77 -1.54 105.19 101.09 2kcv n GLY 91 Ca -0.01 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.62 2kcv n GLY 91 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kcv n LEU 92 N 0.14 2.42 -0.05 0.99 4.77 -0.93 -3.96 117.00 120.38 2kcv n LEU 92 Ca 0.08 0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.98 2kcv n LEU 92 Cb 0.55 -0.64 -0.04 0.00 -2.33 0.00 0.00 43.42 40.97 2kcv n LEU 92 CO 0.09 0.67 -0.74 -1.84 -1.33 0.00 0.00 177.39 174.24 2kcv n GLU 93 N -3.36 0.27 -0.01 3.23 0.28 -1.22 -2.23 120.64 117.58 2kcv n GLU 93 Ca -0.36 0.11 -0.06 0.00 -0.16 0.00 0.00 57.16 56.70 2kcv n GLU 93 Cb 0.83 -0.95 0.13 0.00 1.43 0.00 0.00 31.44 32.88 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 -0.47 0.66 -3.46 -1.84 2.76 -1.56 -3.25 115.15 108.00 2kcv h HIS 94 Ca -0.22 -0.17 -0.67 0.00 -2.20 0.00 0.00 60.37 57.11 2kcv h HIS 94 Cb 1.02 -0.15 -0.38 0.00 1.55 0.00 0.00 27.41 29.45 2kcv h HIS 94 CO -0.09 0.83 -0.50 -1.01 -1.30 0.00 0.00 177.93 175.86 2kcv s HIS 95 N -4.39 3.29 -0.22 5.26 3.76 -0.68 -5.01 115.29 117.30 2kcv s HIS 95 Ca -0.08 -2.96 -0.37 0.00 -0.15 0.00 0.00 55.06 51.50 2kcv s HIS 95 Cb 0.13 -3.00 -0.14 0.00 1.11 0.00 0.00 32.58 30.68 2kcv s HIS 95 CO 0.82 -0.79 1.84 0.72 -0.85 0.00 0.00 174.74 176.48 2kcv n HIS 96 N 3.27 2.12 -2.01 1.40 -0.00 -1.23 -3.26 115.22 115.52 2kcv n HIS 96 Ca 0.07 0.30 -0.42 0.00 -0.00 0.00 0.00 57.72 57.67 2kcv n HIS 96 Cb 0.35 -2.55 -0.00 0.00 -0.00 0.00 0.00 29.99 27.79 2kcv n HIS 96 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kcv n HIS 97 N 6.31 3.86 -3.78 4.41 -0.00 -0.95 -4.88 115.22 120.20 2kcv n HIS 97 Ca 0.26 -2.87 -0.21 0.00 -0.00 0.00 0.00 57.72 54.90 2kcv n HIS 97 Cb 0.20 -2.56 -0.17 0.00 -0.00 0.00 0.00 29.99 27.46 2kcv n HIS 97 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kcv s HIS 98 N 3.74 0.45 -1.40 1.57 5.04 -1.26 -5.07 115.29 118.36 2kcv s HIS 98 Ca 0.50 -0.03 0.11 0.00 -1.54 0.00 0.00 55.06 54.11 2kcv s HIS 98 Cb 0.10 -0.65 0.09 0.00 0.04 0.00 0.00 32.58 32.16 2kcv s HIS 98 CO -0.02 -0.26 0.85 0.72 -2.34 0.00 0.00 174.74 173.70