#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 4.11 0.00 1.62 1.01 -1.26 -5.02 116.67 117.13 2kcv s ASP 2 Ca 0.00 -0.69 0.18 0.00 0.71 0.00 0.00 52.55 52.75 2kcv s ASP 2 Cb 0.00 -0.63 1.08 0.00 1.01 0.00 0.00 42.92 44.38 2kcv s ASP 2 CO 0.00 0.08 1.49 -0.81 0.21 0.00 0.00 175.17 176.13 2kcv n PRO 3 N -0.20 0.60 0.02 8.23 -0.04 -1.26 -1.27 135.00 141.09 2kcv n PRO 3 Ca -0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.35 2kcv n PRO 3 Cb 0.57 -1.47 -0.10 0.00 -0.04 0.00 0.00 33.50 32.46 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 -0.97 0.62 -2.10 0.54 1.02 -1.26 -4.56 120.64 113.94 2kcv n GLU 4 Ca 0.14 0.23 -0.42 0.00 -0.02 0.00 0.00 57.16 57.08 2kcv n GLU 4 Cb 0.06 -1.80 -0.03 0.00 -0.02 0.00 0.00 31.44 29.66 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 -5.82 6.74 0.17 1.62 2.15 -0.39 -4.95 116.67 116.19 2kcv s ASP 5 Ca -0.03 2.25 -0.26 0.00 0.43 0.00 0.00 52.55 54.93 2kcv s ASP 5 Cb 0.09 -2.56 0.02 0.00 -0.30 0.00 0.00 42.92 40.17 2kcv s ASP 5 CO 0.82 -0.80 1.56 -0.65 -0.17 0.00 0.00 175.17 175.92 2kcv h PRO 6 N 8.21 -0.18 -0.13 4.34 0.11 -1.91 -1.91 132.00 140.52 2kcv h PRO 6 Ca -0.39 0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.59 2kcv h PRO 6 Cb 1.18 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2kcv h PRO 6 CO 0.92 -0.12 -0.53 0.35 -0.21 0.00 0.00 178.00 178.41 2kcv h PHE 7 N -0.19 0.47 -0.14 0.65 3.57 -1.94 -2.49 116.94 116.88 2kcv h PHE 7 Ca 0.18 -0.16 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2kcv h PHE 7 Cb 0.55 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 2kcv h PHE 7 CO -0.79 0.83 0.02 1.15 -2.23 0.00 0.00 178.31 177.29 2kcv h THR 8 N 0.29 1.22 0.00 4.41 2.02 -1.62 -0.28 112.91 118.94 2kcv h THR 8 Ca 0.01 -0.69 -0.11 0.00 0.77 0.00 0.00 66.41 66.39 2kcv h THR 8 Cb 1.03 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.83 2kcv h THR 8 CO 0.09 0.20 -0.52 0.08 0.37 0.00 0.00 175.52 175.74 2kcv h ARG 9 N 0.01 0.00 0.05 6.66 0.11 -1.46 -0.44 114.38 119.32 2kcv h ARG 9 Ca 0.04 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.12 2kcv h ARG 9 Cb 0.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.37 2kcv h ARG 9 CO 0.00 0.52 -0.02 -0.92 0.10 0.00 0.00 179.97 179.65 2kcv h TYR 10 N 0.00 -0.06 -0.25 4.08 3.20 -1.34 -1.73 116.97 120.86 2kcv h TYR 10 Ca -0.01 -0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.73 2kcv h TYR 10 Cb 1.03 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 2kcv h TYR 10 CO 0.00 0.32 -0.40 0.00 -1.64 0.00 0.00 178.16 176.43 2kcv h ALA 11 N 0.46 0.82 -0.38 1.82 0.00 -1.03 -2.34 119.26 118.62 2kcv h ALA 11 Ca -0.01 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.48 2kcv h ALA 11 Cb 0.41 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2kcv h ALA 11 CO 0.01 0.65 0.22 1.25 0.00 0.00 0.00 179.25 181.38 2kcv h LEU 12 N 0.50 0.36 -0.84 0.00 5.85 -1.11 -1.24 115.31 118.81 2kcv h LEU 12 Ca 0.04 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.79 2kcv h LEU 12 Cb 0.91 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.83 2kcv h LEU 12 CO 0.08 0.26 0.55 0.00 -0.34 0.00 0.00 178.44 178.99 2kcv h ALA 13 N 1.17 1.10 0.00 1.25 0.00 -1.11 -1.38 119.26 120.28 2kcv h ALA 13 Ca 0.15 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2kcv h ALA 13 Cb 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2kcv h ALA 13 CO -0.07 0.42 -0.43 1.96 0.00 0.00 0.00 179.25 181.13 2kcv h GLN 14 N 1.09 0.00 -0.50 0.00 4.20 -1.07 -1.32 115.11 117.51 2kcv h GLN 14 Ca 0.33 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.93 2kcv h GLN 14 Cb -0.05 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2kcv h GLN 14 CO -0.09 0.43 -0.09 0.93 -0.67 0.00 0.00 178.83 179.34 2kcv h GLU 15 N 0.00 0.94 -0.70 1.46 4.39 -0.56 -2.53 114.58 117.59 2kcv h GLU 15 Ca -0.00 -0.35 0.03 0.00 0.34 0.00 0.00 59.36 59.38 2kcv h GLU 15 Cb 0.80 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.34 2kcv h GLU 15 CO 0.06 1.01 0.43 0.45 -1.16 0.00 0.00 179.01 179.80 2kcv h HIS 16 N 0.80 0.81 -0.81 4.33 3.86 -0.81 -2.56 115.15 120.76 2kcv h HIS 16 Ca 0.13 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 2kcv h HIS 16 Cb 0.64 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.81 2kcv h HIS 16 CO 0.05 0.45 0.50 -0.07 0.86 0.00 0.00 177.93 179.72 2kcv h LEU 17 N 0.84 0.97 -1.24 2.43 3.38 -1.11 0.23 115.31 120.80 2kcv h LEU 17 Ca 0.28 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2kcv h LEU 17 Cb 0.04 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 2kcv h LEU 17 CO -0.12 0.74 0.46 0.11 0.09 0.00 0.00 178.44 179.73 2kcv h LYS 18 N 1.12 0.97 -0.23 1.13 1.57 -1.06 -2.46 116.57 117.61 2kcv h LYS 18 Ca 0.29 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2kcv h LYS 18 Cb -0.06 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.04 2kcv h LYS 18 CO -0.06 0.66 0.00 0.72 -0.57 0.00 0.00 179.45 180.20 2kcv n HIS 19 N -4.41 0.29 -1.25 -1.35 8.25 -0.73 -4.92 115.22 111.10 2kcv n HIS 19 Ca 0.08 -0.15 -0.09 0.00 -0.26 0.00 0.00 57.72 57.30 2kcv n HIS 19 Cb 0.05 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.12 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 0.59 -4.71 -2.78 0.41 2.03 -0.68 -4.91 116.55 106.49 2kcv n ASP 20 Ca 0.16 0.22 -0.28 0.00 0.52 0.00 0.00 54.79 55.41 2kcv n ASP 20 Cb 0.39 -2.98 -0.08 0.00 -0.72 0.00 0.00 41.12 37.73 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 -0.32 7.19 0.06 1.67 4.13 0.72 -4.67 115.26 124.03 2kcv n ASN 21 Ca -0.09 -2.68 0.01 0.00 1.68 0.00 0.00 54.58 53.50 2kcv n ASN 21 Cb 0.40 -1.45 0.34 0.00 -1.54 0.00 0.00 39.78 37.53 2kcv n ASN 21 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kcv h ALA 22 N 4.03 1.44 -0.51 5.41 0.00 -1.89 -2.03 119.26 125.70 2kcv h ALA 22 Ca 0.56 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.32 2kcv h ALA 22 Cb 0.77 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 2kcv h ALA 22 CO 1.10 0.39 0.25 1.03 0.00 0.00 0.00 179.25 182.02 2kcv h SER 23 N 0.37 0.35 -0.04 0.00 0.87 -1.95 0.71 113.55 113.86 2kcv h SER 23 Ca 0.08 0.03 -0.15 0.00 -1.23 0.00 0.00 61.79 60.52 2kcv h SER 23 Cb 0.35 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2kcv h SER 23 CO 0.02 0.24 -0.50 0.03 -0.53 0.00 0.00 176.83 176.09 2kcv h ARG 24 N 0.48 0.60 -0.58 2.24 2.47 -1.78 -2.47 114.38 115.34 2kcv h ARG 24 Ca 0.23 -0.35 -0.09 0.00 -1.26 0.00 0.00 59.98 58.50 2kcv h ARG 24 Cb 0.15 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.48 2kcv h ARG 24 CO -0.17 0.96 0.01 0.00 0.56 0.00 0.00 179.97 181.33 2kcv h ALA 25 N 0.98 0.78 -0.07 0.04 0.00 -1.27 -2.54 119.26 117.18 2kcv h ALA 25 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2kcv h ALA 25 Cb 1.04 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2kcv h ALA 25 CO 0.10 0.61 0.05 1.25 0.00 0.00 0.00 179.25 181.25 2kcv h LEU 26 N 0.91 0.08 -0.54 0.00 5.85 -0.68 -1.05 115.31 119.89 2kcv h LEU 26 Ca 0.17 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.90 2kcv h LEU 26 Cb 0.54 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 2kcv h LEU 26 CO 0.03 0.08 0.31 0.00 -0.34 0.00 0.00 178.44 178.52 2kcv h ALA 27 N 1.01 0.69 -0.32 1.25 0.00 -1.46 -1.60 119.26 118.83 2kcv h ALA 27 Ca 0.03 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2kcv h ALA 27 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2kcv h ALA 27 CO -0.01 0.00 -0.20 -0.07 0.00 0.00 0.00 179.25 178.98 2kcv h LEU 28 N 0.61 0.60 -0.23 0.00 3.38 -1.03 0.13 115.31 118.76 2kcv h LEU 28 Ca 0.22 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 2kcv h LEU 28 Cb 0.06 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2kcv h LEU 28 CO -0.11 0.81 -0.45 -0.26 0.09 0.00 0.00 178.44 178.51 2kcv h PHE 29 N 0.54 0.90 0.00 1.13 0.04 -1.10 -0.95 116.94 117.50 2kcv h PHE 29 Ca 0.08 -0.33 -0.06 0.00 2.80 0.00 0.00 57.97 60.47 2kcv h PHE 29 Cb 0.65 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 2kcv h PHE 29 CO 0.03 1.11 -0.27 0.93 -0.60 0.00 0.00 178.31 179.51 2kcv h GLU 30 N 0.44 0.00 -0.35 1.51 5.08 -1.13 -1.08 114.58 119.05 2kcv h GLU 30 Ca 0.01 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 2kcv h GLU 30 Cb 1.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 2kcv h GLU 30 CO 0.10 0.27 -0.41 1.49 -1.00 0.00 0.00 179.01 179.46 2kcv h GLU 31 N 0.00 0.89 -0.18 2.33 4.57 -0.64 -2.58 114.58 118.97 2kcv h GLU 31 Ca -0.00 -0.49 -0.01 0.00 -1.18 0.00 0.00 59.36 57.68 2kcv h GLU 31 Cb 0.52 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 2kcv h GLU 31 CO 0.03 1.14 0.08 -0.07 -1.18 0.00 0.00 179.01 179.01 2kcv h LEU 32 N 0.69 0.24 0.15 1.64 3.38 -0.75 -2.89 115.31 117.77 2kcv h LEU 32 Ca 0.05 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2kcv h LEU 32 Cb 1.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2kcv h LEU 32 CO 0.10 0.33 -0.07 0.58 0.09 0.00 0.00 178.44 179.47 2kcv h VAL 33 N 0.14 0.92 -0.50 1.22 2.07 -1.19 0.25 116.25 119.16 2kcv h VAL 33 Ca 0.06 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 2kcv h VAL 33 Cb 0.16 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2kcv h VAL 33 CO -0.01 0.06 0.20 1.05 0.02 0.00 0.00 177.57 178.89 2kcv h GLU 34 N -0.31 0.71 0.02 1.57 4.11 -1.52 -2.59 114.58 116.55 2kcv h GLU 34 Ca -0.02 -0.10 -0.35 0.00 0.07 0.00 0.00 59.36 58.96 2kcv h GLU 34 Cb 0.25 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 2kcv h GLU 34 CO 0.03 0.58 -2.14 0.25 0.07 0.00 0.00 179.01 177.81 2kcv n THR 35 N -4.35 1.53 -3.37 -1.06 -2.24 -1.09 -4.77 114.28 98.91 2kcv n THR 35 Ca 0.04 -0.77 -0.26 0.00 -2.27 0.00 0.00 64.05 60.79 2kcv n THR 35 Cb 0.15 -0.95 -0.09 0.00 -2.10 0.00 0.00 70.33 67.34 2kcv n THR 35 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2kcv n ASP 36 N -3.02 0.67 0.00 3.42 9.92 0.89 -4.96 116.55 123.48 2kcv n ASP 36 Ca -0.30 -2.72 0.10 0.00 -0.53 0.00 0.00 54.79 51.34 2kcv n ASP 36 Cb 1.09 -0.62 0.52 0.00 -0.64 0.00 0.00 41.12 41.46 2kcv n ASP 36 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2kcv n PRO 37 N 1.94 0.31 0.12 -0.24 -0.04 -0.98 -2.51 135.00 133.60 2kcv n PRO 37 Ca 0.25 0.09 -0.00 0.00 -0.04 0.00 0.00 63.50 63.80 2kcv n PRO 37 Cb 0.48 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.45 2kcv n PRO 37 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2kcv h ASP 38 N 0.00 0.00 -1.53 3.54 2.03 -1.90 -3.43 116.42 115.13 2kcv h ASP 38 Ca 0.00 0.00 -0.43 0.00 -0.73 0.00 0.00 57.03 55.87 2kcv h ASP 38 Cb 0.18 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.64 2kcv h ASP 38 CO 0.00 0.66 1.13 -0.47 -1.03 0.00 0.00 179.24 179.53 2kcv s TYR 39 N -2.95 1.73 0.24 4.15 6.14 -1.04 -4.70 117.35 120.91 2kcv s TYR 39 Ca 0.03 0.71 -0.01 0.00 0.64 0.00 0.00 57.07 58.43 2kcv s TYR 39 Cb 0.09 -4.08 0.28 0.00 0.42 0.00 0.00 41.96 38.66 2kcv s TYR 39 CO 0.76 -2.10 1.65 0.28 0.64 0.00 0.00 175.55 176.78 2kcv h VAL 40 N 7.01 1.28 0.00 3.14 2.07 -1.89 -3.08 116.25 124.77 2kcv h VAL 40 Ca -0.13 -1.39 -0.02 0.00 0.82 0.00 0.00 66.70 65.98 2kcv h VAL 40 Cb 1.10 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.25 2kcv h VAL 40 CO 1.22 0.45 -0.09 1.23 0.02 0.00 0.00 177.57 180.39 2kcv h GLY 41 N 1.02 0.00 0.80 2.17 0.00 -1.98 -2.21 103.07 102.87 2kcv h GLY 41 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 2kcv h GLY 41 CO 0.06 0.00 -0.26 -0.84 0.00 0.00 0.00 176.54 175.50 2kcv h THR 42 N 0.00 0.45 -0.69 4.70 2.02 -1.94 -3.11 112.91 114.34 2kcv h THR 42 Ca -0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 2kcv h THR 42 Cb 0.19 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 66.98 2kcv h THR 42 CO 0.01 0.00 0.36 1.88 0.37 0.00 0.00 175.52 178.14 2kcv h TYR 43 N -0.62 0.66 0.22 3.16 0.05 -1.53 0.46 116.97 119.36 2kcv h TYR 43 Ca -0.03 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 2kcv h TYR 43 Cb 0.53 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 2kcv h TYR 43 CO -0.13 0.28 -0.25 -0.92 -1.05 0.00 0.00 178.16 176.09 2kcv h TYR 44 N 0.65 -0.70 0.00 4.88 3.20 -1.61 -1.52 116.97 121.86 2kcv h TYR 44 Ca 0.32 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.15 2kcv h TYR 44 Cb 0.27 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 2kcv h TYR 44 CO -0.09 -0.32 -0.24 0.45 -1.64 0.00 0.00 178.16 176.31 2kcv h HIS 45 N -0.48 0.00 -0.28 -3.82 3.86 -1.39 -0.41 115.15 112.65 2kcv h HIS 45 Ca -0.03 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.02 2kcv h HIS 45 Cb 0.42 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.89 2kcv h HIS 45 CO -0.19 0.24 -0.47 1.25 0.86 0.00 0.00 177.93 179.62 2kcv h LEU 46 N 0.00 0.89 -0.38 2.43 5.85 -0.95 -2.36 115.31 120.79 2kcv h LEU 46 Ca -0.00 -0.53 -0.18 0.00 0.84 0.00 0.00 57.88 58.02 2kcv h LEU 46 Cb 0.44 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 2kcv h LEU 46 CO 0.03 1.24 -0.56 1.23 -0.34 0.00 0.00 178.44 180.05 2kcv h GLY 47 N 0.56 0.82 1.39 3.75 0.00 -0.63 -1.37 103.07 107.59 2kcv h GLY 47 Ca 0.02 -0.96 -0.03 0.00 0.00 0.00 0.00 47.33 46.36 2kcv h GLY 47 CO 0.11 0.86 0.21 0.50 0.00 0.00 0.00 176.54 178.22 2kcv h LYS 48 N 0.57 0.78 -0.31 4.80 1.79 -1.12 -1.14 116.57 121.94 2kcv h LYS 48 Ca 0.01 -0.12 -0.18 0.00 -2.18 0.00 0.00 60.65 58.18 2kcv h LYS 48 Cb 1.14 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.65 2kcv h LYS 48 CO 0.12 0.65 -0.50 1.25 -1.08 0.00 0.00 179.45 179.89 2kcv h LEU 49 N 0.77 0.96 -1.36 2.94 5.85 -1.29 -2.96 115.31 120.23 2kcv h LEU 49 Ca 0.18 -0.49 0.01 0.00 0.84 0.00 0.00 57.88 58.43 2kcv h LEU 49 Cb 0.17 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2kcv h LEU 49 CO -0.02 1.28 0.44 1.88 -0.34 0.00 0.00 178.44 181.69 2kcv h TYR 50 N 0.68 0.82 -0.36 1.25 0.05 -0.69 -1.67 116.97 117.04 2kcv h TYR 50 Ca 0.03 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.78 2kcv h TYR 50 Cb 1.10 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 38.54 2kcv h TYR 50 CO 0.07 0.50 0.00 0.93 -1.05 0.00 0.00 178.16 178.62 2kcv h GLU 51 N 0.87 0.57 -0.45 4.88 5.08 -1.10 0.14 114.58 124.57 2kcv h GLU 51 Ca 0.25 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 2kcv h GLU 51 Cb -0.06 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2kcv h GLU 51 CO -0.06 0.59 -0.19 0.00 -1.00 0.00 0.00 179.01 178.36 2kcv h ARG 52 N 0.54 0.89 -0.08 2.33 3.08 -1.23 -3.13 114.38 116.78 2kcv h ARG 52 Ca 0.12 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.81 2kcv h ARG 52 Cb 0.34 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2kcv h ARG 52 CO 0.01 1.00 0.00 1.28 -1.07 0.00 0.00 179.97 181.19 2kcv n LEU 53 N -4.12 0.58 -1.13 3.04 4.77 -0.69 -4.88 117.00 114.57 2kcv n LEU 53 Ca 0.01 -0.26 -0.15 0.00 -0.03 0.00 0.00 56.01 55.58 2kcv n LEU 53 Cb 0.43 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 2kcv n LEU 53 CO 0.45 0.13 -0.14 0.47 -1.33 0.00 0.00 177.39 176.97 2kcv n ASP 54 N -0.32 -5.57 -3.60 -1.43 8.00 -0.82 -4.90 116.55 107.90 2kcv n ASP 54 Ca 0.11 0.37 -0.41 0.00 0.71 0.00 0.00 54.79 55.56 2kcv n ASP 54 Cb 0.13 -4.37 -0.00 0.00 -0.02 0.00 0.00 41.12 36.86 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 -1.51 4.39 -0.11 -1.24 5.12 0.43 -4.77 116.66 118.97 2kcv n ARG 55 Ca -0.15 -3.56 -0.05 0.00 -1.93 0.00 0.00 57.85 52.16 2kcv n ARG 55 Cb 0.62 -2.69 0.14 0.00 -1.16 0.00 0.00 32.46 29.37 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 2.89 1.25 -0.65 0.55 2.02 -1.91 -1.33 112.91 115.73 2kcv h THR 56 Ca 0.61 -1.05 0.01 0.00 0.77 0.00 0.00 66.41 66.75 2kcv h THR 56 Cb 0.39 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 2kcv h THR 56 CO 1.50 0.37 0.42 0.44 0.37 0.00 0.00 175.52 178.62 2kcv h ASP 57 N 0.75 0.72 -0.52 4.18 3.32 -1.95 -1.47 116.42 121.46 2kcv h ASP 57 Ca 0.14 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.07 2kcv h ASP 57 Cb 0.49 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2kcv h ASP 57 CO 0.02 0.51 -0.11 0.44 -1.72 0.00 0.00 179.24 178.39 2kcv h ASP 58 N 0.85 1.00 0.38 6.45 5.19 -1.89 -2.21 116.42 126.20 2kcv h ASP 58 Ca 0.25 -0.33 -0.01 0.00 -0.62 0.00 0.00 57.03 56.31 2kcv h ASP 58 Cb -0.06 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.18 2kcv h ASP 58 CO -0.07 1.11 -0.22 0.00 -3.12 0.00 0.00 179.24 176.95 2kcv h ALA 59 N 0.97 -0.56 -0.89 3.45 0.00 -0.80 -1.28 119.26 120.16 2kcv h ALA 59 Ca 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2kcv h ALA 59 Cb 0.67 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2kcv h ALA 59 CO 0.05 -0.82 0.49 0.82 0.00 0.00 0.00 179.25 179.79 2kcv h ILE 60 N -0.56 1.26 -0.46 0.00 1.08 -1.26 -0.76 117.51 116.81 2kcv h ILE 60 Ca -0.04 -0.62 -0.03 0.00 -0.39 0.00 0.00 64.86 63.78 2kcv h ILE 60 Cb 0.45 0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 34.23 2kcv h ILE 60 CO 0.05 0.28 0.18 -0.78 -0.69 0.00 0.00 178.15 177.20 2kcv h ASP 61 N 1.24 0.64 -0.51 1.72 3.58 -1.33 -1.15 116.42 120.61 2kcv h ASP 61 Ca 0.31 -0.17 -0.11 0.00 0.42 0.00 0.00 57.03 57.48 2kcv h ASP 61 Cb 0.02 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 2kcv h ASP 61 CO -0.05 0.64 -0.09 0.74 -2.88 0.00 0.00 179.24 177.59 2kcv h THR 62 N 0.60 1.27 -0.33 2.25 2.02 -0.78 -2.54 112.91 115.39 2kcv h THR 62 Ca 0.15 -1.23 -0.08 0.00 0.77 0.00 0.00 66.41 66.02 2kcv h THR 62 Cb 0.21 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 2kcv h THR 62 CO -0.01 0.44 -0.11 1.88 0.37 0.00 0.00 175.52 178.08 2kcv h TYR 63 N 0.88 0.75 -0.32 3.16 0.05 -1.06 -1.28 116.97 119.15 2kcv h TYR 63 Ca 0.14 -0.17 0.05 0.00 0.05 0.00 0.00 58.73 58.80 2kcv h TYR 63 Cb 0.64 -0.18 -0.04 0.00 1.01 0.00 0.00 36.73 38.16 2kcv h TYR 63 CO 0.04 0.85 0.05 0.00 -1.05 0.00 0.00 178.16 178.05 2kcv h ALA 64 N 0.79 0.32 -0.55 3.88 0.00 -1.12 0.33 119.26 122.92 2kcv h ALA 64 Ca 0.08 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2kcv h ALA 64 Cb 0.63 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2kcv h ALA 64 CO 0.04 -0.36 0.02 0.37 0.00 0.00 0.00 179.25 179.32 2kcv h GLN 65 N 0.16 0.92 -1.00 0.00 -0.00 -1.48 -2.85 115.11 110.87 2kcv h GLN 65 Ca 0.15 -0.26 0.06 0.00 -0.00 0.00 0.00 58.65 58.60 2kcv h GLN 65 Cb 0.17 -0.10 -0.07 0.00 0.00 0.00 0.00 27.48 27.49 2kcv h GLN 65 CO -0.21 0.90 0.64 0.78 0.00 0.00 0.00 178.83 180.94 2kcv h GLY 66 N 1.00 1.51 0.86 2.39 0.00 -0.45 -2.66 103.07 105.72 2kcv h GLY 66 Ca 0.16 -0.48 0.03 0.00 0.00 0.00 0.00 47.33 47.05 2kcv h GLY 66 CO 0.02 0.35 0.41 -2.22 0.00 0.00 0.00 176.54 175.10 2kcv h ILE 67 N 1.18 1.08 -0.37 2.60 2.04 -0.71 0.19 117.51 123.52 2kcv h ILE 67 Ca 0.42 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 66.01 2kcv h ILE 67 Cb 0.14 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 2kcv h ILE 67 CO -0.17 0.14 0.23 -0.33 0.00 0.00 0.00 178.15 178.03 2kcv h GLU 68 N 0.79 0.49 0.00 2.37 5.08 -1.46 -2.21 114.58 119.65 2kcv h GLU 68 Ca 0.27 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2kcv h GLU 68 Cb 0.03 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2kcv h GLU 68 CO -0.11 0.34 -0.29 -0.39 -1.00 0.00 0.00 179.01 177.56 2kcv h VAL 69 N 0.49 0.00 -0.13 3.13 -1.51 -1.39 -3.21 116.25 113.63 2kcv h VAL 69 Ca 0.13 -0.98 -0.08 0.00 -1.23 0.00 0.00 66.70 64.53 2kcv h VAL 69 Cb -0.03 1.84 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 2kcv h VAL 69 CO -0.03 0.00 -0.25 0.00 -1.23 0.00 0.00 177.57 176.07 2kcv h ALA 70 N 2.02 0.21 0.00 5.19 0.00 -0.19 0.19 119.26 126.67 2kcv h ALA 70 Ca 0.00 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 2kcv h ALA 70 Cb 0.99 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2kcv h ALA 70 CO 0.00 0.19 -0.60 0.07 0.00 0.00 0.00 179.25 178.91 2kcv h ARG 71 N -0.00 0.00 0.00 0.00 0.11 -1.53 -2.95 114.38 110.01 2kcv h ARG 71 Ca 0.01 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 2kcv h ARG 71 Cb 0.83 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.90 2kcv h ARG 71 CO 0.06 0.60 -0.93 0.39 0.10 0.00 0.00 179.97 180.19 2kcv n GLU 72 N -3.79 0.50 -0.09 0.08 1.02 -1.21 -4.81 120.64 112.34 2kcv n GLU 72 Ca -0.01 0.47 -0.16 0.00 -0.02 0.00 0.00 57.16 57.44 2kcv n GLU 72 Cb 0.61 -1.65 -0.11 0.00 -0.02 0.00 0.00 31.44 30.27 2kcv n GLU 72 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2kcv h GLU 73 N -1.00 0.00 0.00 3.49 4.39 -0.82 -3.48 114.58 117.16 2kcv h GLU 73 Ca -0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.56 2kcv h GLU 73 Cb 0.86 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 2kcv h GLU 73 CO -0.09 0.88 0.00 0.41 -1.16 0.00 0.00 179.01 179.06 2kcv n GLY 74 N 1.54 0.32 3.89 -3.84 0.00 -0.79 -5.02 105.19 101.28 2kcv n GLY 74 Ca -0.20 -1.74 -0.26 0.00 0.00 0.00 0.00 46.02 43.82 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 0.72 1.72 0.43 2.61 -4.23 -1.21 -4.69 115.64 111.00 2kcv s THR 75 Ca 0.00 -1.52 0.22 0.00 -1.18 0.00 0.00 61.69 59.21 2kcv s THR 75 Cb 0.00 -2.24 0.25 0.00 1.34 0.00 0.00 72.50 71.85 2kcv s THR 75 CO 0.00 0.00 2.04 -0.61 -0.54 0.00 0.00 174.62 175.51 2kcv h GLN 76 N 0.83 0.00 -0.27 3.99 5.75 -1.95 -2.53 115.11 120.94 2kcv h GLN 76 Ca -0.38 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.17 2kcv h GLN 76 Cb 1.30 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.81 2kcv h GLN 76 CO 0.59 0.15 -0.00 -0.22 -2.65 0.00 0.00 178.83 176.69 2kcv h LYS 77 N 0.00 0.08 -0.27 1.69 3.64 -1.95 -1.02 116.57 118.73 2kcv h LYS 77 Ca -0.00 -0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.21 2kcv h LYS 77 Cb 0.33 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2kcv h LYS 77 CO 0.02 0.05 -0.45 -0.44 -2.27 0.00 0.00 179.45 176.35 2kcv h ASP 78 N 0.08 0.87 -0.33 4.20 3.32 -1.82 -2.58 116.42 120.15 2kcv h ASP 78 Ca 0.13 -0.52 0.02 0.00 0.02 0.00 0.00 57.03 56.68 2kcv h ASP 78 Cb 0.17 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 2kcv h ASP 78 CO -0.22 1.23 0.16 0.25 -1.72 0.00 0.00 179.24 178.94 2kcv h LEU 79 N 0.54 0.23 -0.90 1.55 5.85 -1.34 -1.83 115.31 119.40 2kcv h LEU 79 Ca 0.02 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 2kcv h LEU 79 Cb 1.06 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 2kcv h LEU 79 CO 0.10 0.18 -0.07 0.28 -0.34 0.00 0.00 178.44 178.59 2kcv h SER 80 N 0.33 0.72 -0.49 1.25 0.02 -1.16 -2.12 113.55 112.11 2kcv h SER 80 Ca 0.14 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 60.82 2kcv h SER 80 Cb 0.06 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 2kcv h SER 80 CO -0.10 0.83 0.00 -0.33 -1.14 0.00 0.00 176.83 176.09 2kcv h GLU 81 N 0.68 0.85 -0.16 3.45 4.39 -1.08 -1.11 114.58 121.61 2kcv h GLU 81 Ca 0.12 -0.27 -0.22 0.00 0.34 0.00 0.00 59.36 59.33 2kcv h GLU 81 Cb 0.52 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2kcv h GLU 81 CO 0.03 0.89 -0.77 -0.07 -1.16 0.00 0.00 179.01 177.93 2kcv h LEU 82 N 0.71 0.95 -0.31 1.33 3.38 -1.23 -0.46 115.31 119.68 2kcv h LEU 82 Ca 0.14 -0.62 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 2kcv h LEU 82 Cb 0.51 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2kcv h LEU 82 CO 0.02 1.42 -0.07 1.56 0.09 0.00 0.00 178.44 181.47 2kcv h GLN 83 N 0.55 0.60 -0.27 1.13 4.20 -1.42 -2.52 115.11 117.37 2kcv h GLN 83 Ca -0.05 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.43 2kcv h GLN 83 Cb 1.40 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.14 2kcv h GLN 83 CO 0.16 0.78 0.16 0.22 -0.67 0.00 0.00 178.83 179.48 2kcv h ASP 84 N 0.37 0.33 -0.52 1.46 3.58 -1.21 -2.48 116.42 117.94 2kcv h ASP 84 Ca 0.08 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 2kcv h ASP 84 Cb 0.56 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 2kcv h ASP 84 CO 0.03 0.29 0.24 0.00 -2.88 0.00 0.00 179.24 176.92 2kcv h ALA 85 N 1.05 0.68 -0.12 -0.78 0.00 -1.04 -1.88 119.26 117.17 2kcv h ALA 85 Ca 0.10 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 2kcv h ALA 85 Cb 0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2kcv h ALA 85 CO -0.02 0.25 -0.68 1.57 0.00 0.00 0.00 179.25 180.38 2kcv h LYS 86 N 0.70 0.50 -0.16 0.00 2.10 -1.46 -1.62 116.57 116.63 2kcv h LYS 86 Ca 0.18 -0.38 -0.18 0.00 -2.00 0.00 0.00 60.65 58.27 2kcv h LYS 86 Cb 0.14 0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 31.54 2kcv h LYS 86 CO -0.02 1.00 -0.65 1.37 -2.00 0.00 0.00 179.45 179.15 2kcv h LEU 87 N 0.36 0.70 -0.55 7.07 8.10 -1.23 -1.26 115.31 128.50 2kcv h LEU 87 Ca -0.02 -0.42 -0.15 0.00 0.11 0.00 0.00 57.88 57.40 2kcv h LEU 87 Cb 1.25 -0.20 -0.02 0.00 -0.44 0.00 0.00 40.66 41.24 2kcv h LEU 87 CO 0.12 1.17 -0.72 0.07 -4.11 0.00 0.00 178.44 174.97 2kcv h LYS 88 N 0.45 0.00 0.00 0.17 2.10 -1.42 -2.96 116.57 114.91 2kcv h LYS 88 Ca -0.01 -0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.60 2kcv h LYS 88 Cb 1.23 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.56 2kcv h LYS 88 CO 0.12 0.72 -0.14 0.00 -2.00 0.00 0.00 179.45 178.16 2kcv h ALA 89 N 1.27 1.21 0.00 0.07 0.00 -1.05 -1.91 119.26 118.86 2kcv h ALA 89 Ca -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2kcv h ALA 89 Cb 1.28 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2kcv h ALA 89 CO 0.09 0.18 -0.00 0.93 0.00 0.00 0.00 179.25 180.45 2kcv h GLU 90 N 0.00 0.00 0.00 0.00 4.39 -1.06 -1.76 114.58 116.16 2kcv h GLU 90 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kcv h GLU 90 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2kcv h GLU 90 CO 0.02 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.28 2kcv n GLY 91 N -1.23 -0.60 0.00 -3.84 0.00 -0.72 -3.68 105.19 95.13 2kcv n GLY 91 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.88 0.08 0.12 0.99 4.77 -0.66 -5.07 117.00 116.35 2kcv n LEU 92 Ca 0.11 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2kcv n LEU 92 Cb 0.05 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 2kcv n LEU 92 CO 0.08 -0.47 0.00 -1.84 -1.33 0.00 0.00 177.39 173.83 2kcv n GLU 93 N -2.21 0.00 -3.40 3.23 0.28 -1.24 -5.03 120.64 112.26 2kcv n GLU 93 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 2kcv n GLU 93 Cb 0.00 0.00 0.01 0.00 1.43 0.00 0.00 31.44 32.88 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 -2.99 -2.50 -3.50 -1.84 -0.00 -1.26 -3.47 115.22 99.65 2kcv n HIS 94 Ca 0.00 0.94 -0.25 0.00 0.46 0.00 0.00 57.72 58.87 2kcv n HIS 94 Cb 0.00 -3.55 0.06 0.00 -0.12 0.00 0.00 29.99 26.37 2kcv n HIS 94 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kcv n HIS 95 N -2.42 -2.51 -0.11 1.57 -0.00 -1.26 -4.89 115.22 105.60 2kcv n HIS 95 Ca -0.13 0.85 -0.05 0.00 0.46 0.00 0.00 57.72 58.85 2kcv n HIS 95 Cb 0.58 -4.62 0.01 0.00 -0.12 0.00 0.00 29.99 25.85 2kcv n HIS 95 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2kcv h HIS 96 N -2.19 -0.16 -5.27 1.57 6.17 -1.96 -3.48 115.15 109.84 2kcv h HIS 96 Ca -0.56 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 60.55 2kcv h HIS 96 Cb 1.37 0.13 0.00 0.00 2.52 0.00 0.00 27.41 31.43 2kcv h HIS 96 CO 0.53 -0.15 -0.81 1.58 0.71 0.00 0.00 177.93 179.79 2kcv n HIS 97 N -5.27 -3.67 -1.82 5.26 -0.00 -1.26 -4.86 115.22 103.59 2kcv n HIS 97 Ca 0.02 1.57 -0.43 0.00 0.46 0.00 0.00 57.72 59.34 2kcv n HIS 97 Cb 0.21 -3.92 -0.03 0.00 -0.12 0.00 0.00 29.99 26.13 2kcv n HIS 97 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kcv s HIS 98 N -2.00 1.53 -2.31 1.57 2.46 -1.26 -5.26 115.29 110.03 2kcv s HIS 98 Ca 0.11 0.50 0.30 0.00 0.47 0.00 0.00 55.06 56.43 2kcv s HIS 98 Cb -0.03 -4.04 1.38 0.00 -0.13 0.00 0.00 32.58 29.77 2kcv s HIS 98 CO 0.76 -3.63 1.93 1.58 -2.47 0.00 0.00 174.74 172.92