#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkv h GLU 2 N 0.00 0.00 -5.32 2.12 3.07 -1.97 -3.36 114.58 109.12 2kkv h GLU 2 Ca 0.00 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.18 2kkv h GLU 2 Cb 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 27.76 2kkv h GLU 2 CO 0.00 0.00 1.28 1.21 -1.40 0.00 0.00 179.01 180.10 2kkv s ASN 3 N -5.06 6.73 -0.11 1.42 3.84 -1.26 -4.95 114.94 115.55 2kkv s ASN 3 Ca 0.08 -2.17 -0.00 0.00 0.21 0.00 0.00 52.86 50.97 2kkv s ASN 3 Cb 0.10 -2.46 0.02 0.00 -0.55 0.00 0.00 41.25 38.36 2kkv s ASN 3 CO 0.65 -1.11 -0.07 -0.44 -2.79 0.00 0.00 177.10 173.34 2kkv s SER 4 N 3.84 2.12 -0.36 -4.21 0.01 -1.26 -5.06 113.70 108.79 2kkv s SER 4 Ca 0.41 -0.28 -0.05 0.00 1.31 0.00 0.00 55.95 57.33 2kkv s SER 4 Cb -0.02 -0.81 0.20 0.00 0.21 0.00 0.00 66.02 65.60 2kkv s SER 4 CO -0.05 -0.12 1.00 -0.83 0.41 0.00 0.00 173.24 173.65 2kkv s GLY 5 N 1.71 -1.66 0.00 3.44 0.00 -1.26 -4.89 107.32 104.66 2kkv s GLY 5 Ca 0.05 0.72 0.13 0.00 0.00 0.00 0.00 44.72 45.62 2kkv s GLY 5 CO -0.08 4.19 1.31 0.00 0.00 0.00 0.00 173.10 178.53 2kkv n ALA 6 N 3.20 2.44 -1.68 3.20 0.00 -1.26 -4.88 120.51 121.53 2kkv n ALA 6 Ca 0.10 -0.70 -0.19 0.00 0.00 0.00 0.00 53.44 52.65 2kkv n ALA 6 Cb 0.63 -0.97 -0.07 0.00 0.00 0.00 0.00 19.45 19.03 2kkv n ALA 6 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2kkv n TYR 7 N 0.66 -0.14 -3.05 0.00 4.01 -1.26 -4.97 117.16 112.41 2kkv n TYR 7 Ca 0.14 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.87 2kkv n TYR 7 Cb 0.34 -3.31 0.00 0.00 -0.31 0.00 0.00 39.34 36.06 2kkv n TYR 7 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 2kkv n THR 8 N -2.68 0.00 -0.32 -0.72 -1.04 -1.26 -4.91 114.28 103.34 2kkv n THR 8 Ca -0.20 -0.09 0.14 0.00 -2.04 0.00 0.00 64.05 61.86 2kkv n THR 8 Cb 0.64 -0.93 0.32 0.00 -1.82 0.00 0.00 70.33 68.54 2kkv n THR 8 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2kkv h PHE 9 N 0.05 0.79 -0.16 -1.42 3.04 -1.96 -1.15 116.94 116.13 2kkv h PHE 9 Ca -0.01 0.04 -0.05 0.00 3.98 0.00 0.00 57.97 61.93 2kkv h PHE 9 Cb 0.06 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.35 2kkv h PHE 9 CO 0.00 0.03 -0.12 1.05 -2.02 0.00 0.00 178.31 177.25 2kkv h GLU 10 N 0.50 0.26 -0.37 1.11 -0.00 -1.98 0.55 114.58 114.65 2kkv h GLU 10 Ca 0.57 -0.06 -0.08 0.00 -0.00 0.00 0.00 59.36 59.79 2kkv h GLU 10 Cb 1.04 -0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 29.75 2kkv h GLU 10 CO -0.48 0.39 -0.09 1.15 -0.00 0.00 0.00 179.01 179.97 2kkv h THR 11 N 0.25 1.28 -0.07 -1.06 2.02 -1.55 -2.20 112.91 111.57 2kkv h THR 11 Ca 0.05 -1.17 -0.22 0.00 0.77 0.00 0.00 66.41 65.84 2kkv h THR 11 Cb 0.37 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 2kkv h THR 11 CO 0.02 0.39 -0.84 0.40 0.37 0.00 0.00 175.52 175.86 2kkv h ILE 12 N 0.52 1.34 -0.70 3.11 5.03 -1.39 -3.14 117.51 122.29 2kkv h ILE 12 Ca 0.09 -2.19 -0.01 0.00 -0.12 0.00 0.00 64.86 62.64 2kkv h ILE 12 Cb 0.61 2.19 -0.03 0.00 -3.03 0.00 0.00 36.82 36.56 2kkv h ILE 12 CO 0.04 0.67 0.42 0.00 -0.68 0.00 0.00 178.15 178.59 2kkv h ALA 13 N 0.71 0.90 0.00 1.87 0.00 -0.84 -2.79 119.26 119.10 2kkv h ALA 13 Ca -0.06 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2kkv h ALA 13 Cb 1.46 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2kkv h ALA 13 CO 0.16 0.37 -0.53 0.07 0.00 0.00 0.00 179.25 179.32 2kkv h ARG 14 N 0.96 0.00 0.63 0.00 0.11 -1.44 -2.69 114.38 111.95 2kkv h ARG 14 Ca 0.25 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.31 2kkv h ARG 14 Cb -0.02 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.05 2kkv h ARG 14 CO -0.05 0.53 -0.50 1.49 0.10 0.00 0.00 179.97 181.54 2kkv h GLU 15 N 0.00 -1.06 0.00 0.08 4.22 -1.44 -2.94 114.58 113.45 2kkv h GLU 15 Ca -0.01 0.07 -0.08 0.00 0.08 0.00 0.00 59.36 59.43 2kkv h GLU 15 Cb 1.03 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2kkv h GLU 15 CO 0.07 -0.70 -0.45 0.11 -2.18 0.00 0.00 179.01 175.85 2kkv h TRP 16 N -1.10 0.00 -0.84 0.92 5.08 -1.67 -3.34 115.95 115.01 2kkv h TRP 16 Ca -0.08 0.00 0.24 0.00 1.08 0.00 0.00 58.89 60.13 2kkv h TRP 16 Cb 0.92 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.04 2kkv h TRP 16 CO -0.19 0.37 0.71 1.25 -1.28 0.00 0.00 178.44 179.29 2kkv h HIS 17 N 0.00 0.00 -0.80 0.12 2.76 -1.28 0.20 115.15 116.14 2kkv h HIS 17 Ca -0.01 0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.25 2kkv h HIS 17 Cb 1.29 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 30.18 2kkv h HIS 17 CO 0.00 0.00 0.45 1.49 -1.30 0.00 0.00 177.93 178.57 2kkv h GLU 18 N 0.00 0.73 0.00 5.26 4.81 -1.68 -0.97 114.58 122.72 2kkv h GLU 18 Ca 0.40 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.55 2kkv h GLU 18 Cb 1.81 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 31.02 2kkv h GLU 18 CO -0.00 0.48 -0.15 0.77 -0.73 0.00 0.00 179.01 179.38 2kkv h SER 19 N 0.75 0.00 0.00 1.04 0.02 -0.89 -3.35 113.55 111.12 2kkv h SER 19 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 2kkv h SER 19 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 2kkv h SER 19 CO -0.25 0.15 0.00 -3.20 -1.14 0.00 0.00 176.83 172.39 2kkv n ASN 20 N -3.32 0.00 0.00 3.07 4.05 -0.51 -4.79 115.26 113.76 2kkv n ASN 20 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2kkv n ASN 20 Cb 0.38 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.39 2kkv n ASN 20 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 2kkv n LYS 21 N -0.66 0.00 -1.19 1.20 3.00 -0.49 -5.12 118.16 114.89 2kkv n LYS 21 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2kkv n LYS 21 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2kkv n LYS 21 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2kkv n ARG 22 N -0.12 -1.78 -5.15 1.64 0.63 -1.26 -4.82 116.66 105.80 2kkv n ARG 22 Ca 0.00 1.61 -0.30 0.00 -0.92 0.00 0.00 57.85 58.24 2kkv n ARG 22 Cb 0.00 -1.60 -0.16 0.00 0.45 0.00 0.00 32.46 31.15 2kkv n ARG 22 CO 0.00 0.00 0.00 1.67 -2.51 0.00 0.00 177.63 176.79 2kkv s TRP 23 N -0.18 2.18 -0.40 -0.14 -2.14 -1.26 -4.76 118.94 112.23 2kkv s TRP 23 Ca 0.00 -0.55 0.10 0.00 2.66 0.00 0.00 56.10 58.31 2kkv s TRP 23 Cb 0.00 -1.42 0.37 0.00 -3.10 0.00 0.00 33.47 29.32 2kkv s TRP 23 CO 0.00 -0.14 1.10 0.43 -2.66 0.00 0.00 176.95 175.69 2kkv n SER 24 N 2.81 -1.00 -0.09 -2.66 7.64 -1.26 -4.96 113.62 114.09 2kkv n SER 24 Ca -0.17 -3.00 0.05 0.00 1.01 0.00 0.00 58.87 56.76 2kkv n SER 24 Cb 0.52 0.77 0.38 0.00 -1.01 0.00 0.00 64.21 64.87 2kkv n SER 24 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2kkv h GLU 25 N 2.67 0.65 -0.41 1.43 3.07 -1.95 -0.74 114.58 119.30 2kkv h GLU 25 Ca -0.13 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 58.63 2kkv h GLU 25 Cb 1.16 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.90 2kkv h GLU 25 CO 0.19 0.43 -0.01 0.22 -1.40 0.00 0.00 179.01 178.44 2kkv h ASP 26 N 0.67 0.64 0.85 1.42 3.58 -1.93 -2.60 116.42 119.05 2kkv h ASP 26 Ca 0.23 -0.14 -0.14 0.00 0.42 0.00 0.00 57.03 57.39 2kkv h ASP 26 Cb 0.08 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 2kkv h ASP 26 CO -0.06 0.72 -0.67 0.45 -2.88 0.00 0.00 179.24 176.80 2kkv h HIS 27 N 0.63 0.00 -1.06 0.28 3.86 -1.57 -3.33 115.15 113.97 2kkv h HIS 27 Ca 0.13 0.00 0.29 0.00 -1.16 0.00 0.00 60.37 59.63 2kkv h HIS 27 Cb 0.41 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.82 2kkv h HIS 27 CO 0.02 0.67 0.73 -0.09 0.86 0.00 0.00 177.93 180.12 2kkv h ARG 28 N 0.00 0.13 0.16 2.45 1.12 -0.77 -0.55 114.38 116.92 2kkv h ARG 28 Ca -0.01 -0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 58.85 2kkv h ARG 28 Cb 1.27 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 31.20 2kkv h ARG 28 CO 0.09 0.09 -0.08 1.03 -3.11 0.00 0.00 179.97 177.99 2kkv h SER 29 N 0.14 -0.19 0.58 -3.80 0.87 -1.72 -3.19 113.55 106.24 2kkv h SER 29 Ca 0.53 -0.22 -0.28 0.00 -1.23 0.00 0.00 61.79 60.59 2kkv h SER 29 Cb 1.85 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.84 2kkv h SER 29 CO -0.10 0.13 -1.43 0.08 -0.53 0.00 0.00 176.83 174.98 2kkv h ARG 30 N -0.51 0.17 -0.00 2.24 -0.00 -1.58 -3.31 114.38 111.38 2kkv h ARG 30 Ca -0.02 -0.28 0.00 0.00 -0.00 0.00 0.00 59.98 59.67 2kkv h ARG 30 Cb 0.40 0.11 -0.00 0.00 -0.00 0.00 0.00 29.97 30.47 2kkv h ARG 30 CO 0.04 1.01 0.02 0.28 -0.00 0.00 0.00 179.97 181.32 2kkv h VAL 31 N 0.05 0.02 -0.48 0.08 2.07 -1.23 -2.23 116.25 114.53 2kkv h VAL 31 Ca -0.19 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.46 2kkv h VAL 31 Cb 1.96 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 2kkv h VAL 31 CO 0.15 0.00 0.46 0.25 0.02 0.00 0.00 177.57 178.44 2kkv h LEU 32 N 0.00 0.00 0.46 2.57 5.85 -1.64 0.32 115.31 122.86 2kkv h LEU 32 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2kkv h LEU 32 Cb 0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2kkv h LEU 32 CO -0.00 0.00 -0.22 -0.09 -0.34 0.00 0.00 178.44 177.79 2kkv h ARG 33 N 0.00 -0.59 0.00 1.25 1.12 -1.68 -2.91 114.38 111.58 2kkv h ARG 33 Ca 0.23 0.04 -0.08 0.00 -1.11 0.00 0.00 59.98 59.05 2kkv h ARG 33 Cb 1.14 0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 31.22 2kkv h ARG 33 CO -0.00 -0.29 -0.39 -0.92 -3.11 0.00 0.00 179.97 175.26 2kkv h TYR 34 N -0.88 0.00 -0.15 2.20 3.20 -1.52 -3.24 116.97 116.59 2kkv h TYR 34 Ca -0.06 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.86 2kkv h TYR 34 Cb 0.57 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.78 2kkv h TYR 34 CO 0.01 0.39 -0.29 1.25 -1.64 0.00 0.00 178.16 177.88 2kkv h LEU 35 N 0.00 -0.90 -2.07 2.82 7.12 -0.32 -1.19 115.31 120.76 2kkv h LEU 35 Ca -0.00 0.14 0.08 0.00 0.13 0.00 0.00 57.88 58.23 2kkv h LEU 35 Cb 0.90 0.39 -0.01 0.00 -0.53 0.00 0.00 40.66 41.41 2kkv h LEU 35 CO 0.05 -0.33 0.22 -0.33 -0.13 0.00 0.00 178.44 177.92 2kkv h GLU 36 N -0.35 0.00 -0.17 1.25 5.08 -1.53 0.35 114.58 119.20 2kkv h GLU 36 Ca 0.10 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2kkv h GLU 36 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2kkv h GLU 36 CO -0.35 0.00 0.02 1.25 -1.00 0.00 0.00 179.01 178.93 2kkv h LEU 37 N 0.00 0.28 0.00 1.33 6.46 -1.34 -3.35 115.31 118.69 2kkv h LEU 37 Ca 0.13 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.62 2kkv h LEU 37 Cb 0.58 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 2kkv h LEU 37 CO -0.00 0.48 -0.76 0.00 -0.62 0.00 0.00 178.44 177.53 2kkv n TYR 38 N -4.77 0.00 -3.95 1.25 4.11 -1.09 -4.62 117.16 108.08 2kkv n TYR 38 Ca -0.05 0.00 -0.34 0.00 -0.00 0.00 0.00 57.90 57.51 2kkv n TYR 38 Cb 0.19 -0.06 -0.14 0.00 -0.00 0.00 0.00 39.34 39.32 2kkv n TYR 38 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 2kkv s ILE 39 N -1.95 2.89 -0.49 -3.48 -1.09 0.12 -4.57 121.20 112.63 2kkv s ILE 39 Ca -0.00 -1.07 -0.01 0.00 -2.23 0.00 0.00 60.65 57.34 2kkv s ILE 39 Cb 0.04 -2.50 -0.01 0.00 -1.58 0.00 0.00 42.46 38.41 2kkv s ILE 39 CO 0.22 0.16 0.42 0.49 -1.23 0.00 0.00 174.94 175.00 2kkv n PHE 40 N 4.66 -1.01 0.34 3.97 3.72 -1.26 -3.77 117.46 124.12 2kkv n PHE 40 Ca -0.16 0.39 -0.16 0.00 -0.05 0.00 0.00 57.45 57.47 2kkv n PHE 40 Cb 0.46 -3.29 -0.08 0.00 -0.94 0.00 0.00 39.48 35.64 2kkv n PHE 40 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2kkv h PRO 41 N -0.67 -0.85 0.00 -1.08 0.11 -1.81 -3.25 132.00 124.45 2kkv h PRO 41 Ca -0.26 0.06 -0.27 0.00 0.11 0.00 0.00 66.00 65.64 2kkv h PRO 41 Cb 1.14 0.19 -0.05 0.00 0.11 0.00 0.00 31.00 32.40 2kkv h PRO 41 CO 0.21 -0.53 -1.99 1.58 -0.21 0.00 0.00 178.00 177.06 2kkv n HIS 42 N -5.41 0.00 1.37 0.65 -0.00 -1.26 -4.64 115.22 105.93 2kkv n HIS 42 Ca -0.13 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.05 2kkv n HIS 42 Cb 0.37 -0.67 0.00 0.00 -0.12 0.00 0.00 29.99 29.58 2kkv n HIS 42 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 2kkv n ILE 43 N -3.09 0.00 0.31 3.57 -6.64 -1.26 -3.95 119.36 108.30 2kkv n ILE 43 Ca -0.31 0.00 0.07 0.00 -1.77 0.00 0.00 62.75 60.74 2kkv n ILE 43 Cb 0.82 -0.27 0.31 0.00 -1.44 0.00 0.00 39.64 39.06 2kkv n ILE 43 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2kkv n GLY 44 N 0.22 -0.92 1.40 3.28 0.00 -1.23 -1.54 105.19 106.41 2kkv n GLY 44 Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.12 2kkv n GLY 44 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kkv n SER 45 N -1.76 4.13 -4.66 1.61 7.64 -1.25 -4.92 113.62 114.41 2kkv n SER 45 Ca 0.02 -2.39 -0.34 0.00 1.01 0.00 0.00 58.87 57.16 2kkv n SER 45 Cb 0.12 -0.54 -0.10 0.00 -1.01 0.00 0.00 64.21 62.69 2kkv n SER 45 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2kkv s SER 46 N -0.82 5.06 0.46 6.43 0.01 -0.59 -5.10 113.70 119.15 2kkv s SER 46 Ca 0.43 0.08 -0.22 0.00 1.31 0.00 0.00 55.95 57.55 2kkv s SER 46 Cb 0.28 -1.37 -0.08 0.00 0.21 0.00 0.00 66.02 65.06 2kkv s SER 46 CO 0.21 0.36 1.06 -0.62 0.41 0.00 0.00 173.24 174.66 2kkv s ASP 47 N -0.97 6.40 0.34 2.44 -1.08 -1.26 -4.95 116.67 117.58 2kkv s ASP 47 Ca 0.14 2.02 0.15 0.00 -0.52 0.00 0.00 52.55 54.34 2kkv s ASP 47 Cb -0.11 -2.57 0.57 0.00 -1.46 0.00 0.00 42.92 39.34 2kkv s ASP 47 CO 0.03 -0.74 1.70 -0.29 0.52 0.00 0.00 175.17 176.39 2kkv h ILE 48 N 1.76 1.15 0.00 4.11 2.10 -1.97 -2.89 117.51 121.76 2kkv h ILE 48 Ca -0.49 -1.72 -0.03 0.00 1.08 0.00 0.00 64.86 63.70 2kkv h ILE 48 Cb 1.22 1.98 -0.00 0.00 -1.09 0.00 0.00 36.82 38.93 2kkv h ILE 48 CO 0.60 0.46 -0.12 0.08 -1.08 0.00 0.00 178.15 178.09 2kkv h ARG 49 N 0.00 0.00 -2.49 2.19 0.11 -1.97 -3.35 114.38 108.86 2kkv h ARG 49 Ca -0.00 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.48 2kkv h ARG 49 Cb 0.94 0.00 -0.40 0.00 1.11 0.00 0.00 29.97 31.62 2kkv h ARG 49 CO 0.06 0.12 -0.84 0.94 0.10 0.00 0.00 179.97 180.35 2kkv n GLN 50 N -3.17 0.99 -2.70 0.08 -0.06 -1.09 -4.79 117.38 106.64 2kkv n GLN 50 Ca 0.02 -3.72 -0.26 0.00 -2.00 0.00 0.00 57.00 51.05 2kkv n GLN 50 Cb 0.49 -1.84 0.01 0.00 -4.06 0.00 0.00 30.24 24.85 2kkv n GLN 50 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 2kkv s LEU 51 N -0.85 3.53 0.90 1.69 2.96 -1.22 -4.35 118.68 121.35 2kkv s LEU 51 Ca 0.32 0.66 -0.14 0.00 -0.22 0.00 0.00 54.13 54.74 2kkv s LEU 51 Cb 0.05 -3.54 0.15 0.00 0.50 0.00 0.00 46.19 43.35 2kkv s LEU 51 CO -0.16 -0.75 1.26 -0.54 -1.32 0.00 0.00 176.35 174.85 2kkv s LYS 52 N -4.74 1.14 0.00 1.98 3.01 -1.26 -4.78 119.74 115.08 2kkv s LYS 52 Ca 0.49 -0.20 0.00 0.00 -1.01 0.00 0.00 55.97 55.25 2kkv s LYS 52 Cb -0.10 -1.88 0.00 0.00 -1.01 0.00 0.00 37.83 34.83 2kkv s LYS 52 CO 0.43 -2.11 0.00 2.41 0.51 0.00 0.00 175.35 176.59 2kkv n THR 53 N -3.60 0.00 0.27 2.17 -1.04 -1.26 -3.82 114.28 106.99 2kkv n THR 53 Ca 0.12 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.22 2kkv n THR 53 Cb 0.60 -1.85 0.47 0.00 -1.82 0.00 0.00 70.33 67.73 2kkv n THR 53 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2kkv h SER 54 N 0.00 0.00 -0.40 8.00 0.02 -1.83 0.28 113.55 119.62 2kkv h SER 54 Ca 0.00 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.07 2kkv h SER 54 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2kkv h SER 54 CO 0.00 0.00 0.30 0.45 -1.14 0.00 0.00 176.83 176.44 2kkv h HIS 55 N 0.00 0.00 0.00 3.45 -0.00 -1.97 -1.66 115.15 114.97 2kkv h HIS 55 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2kkv h HIS 55 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.35 2kkv h HIS 55 CO 0.00 0.00 0.00 1.37 -0.00 0.00 0.00 177.93 179.30 2kkv h LEU 56 N 0.00 0.00 -0.09 2.43 -0.00 -1.23 -1.96 115.31 114.46 2kkv h LEU 56 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 2kkv h LEU 56 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.45 2kkv h LEU 56 CO -0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 178.44 178.33 2kkv n LEU 57 N -2.34 0.81 -0.02 0.17 7.94 -0.62 -4.06 117.00 118.88 2kkv n LEU 57 Ca 0.00 0.59 -0.09 0.00 -1.11 0.00 0.00 56.01 55.40 2kkv n LEU 57 Cb 0.14 -0.35 -0.02 0.00 0.53 0.00 0.00 43.42 43.72 2kkv n LEU 57 CO 0.16 -0.23 0.73 0.00 -1.11 0.00 0.00 177.39 176.93 2kkv h ALA 58 N 2.49 -0.12 0.00 1.96 0.00 -1.54 -1.43 119.26 120.62 2kkv h ALA 58 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2kkv h ALA 58 Cb 0.70 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2kkv h ALA 58 CO 0.00 -0.64 -0.12 -1.00 0.00 0.00 0.00 179.25 177.49 2kkv h PRO 59 N -0.24 0.00 0.00 0.00 0.13 -1.82 -0.63 132.00 129.44 2kkv h PRO 59 Ca 0.11 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.19 2kkv h PRO 59 Cb 0.40 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 2kkv h PRO 59 CO -0.31 0.12 -0.26 0.82 -0.23 0.00 0.00 178.00 178.15 2kkv h ILE 60 N 0.00 0.75 -0.07 -3.56 5.03 -1.50 -2.00 117.51 116.16 2kkv h ILE 60 Ca -0.00 -1.08 -0.12 0.00 -0.12 0.00 0.00 64.86 63.54 2kkv h ILE 60 Cb 0.25 1.67 -0.01 0.00 -3.03 0.00 0.00 36.82 35.69 2kkv h ILE 60 CO 0.02 0.25 -0.51 0.11 -0.68 0.00 0.00 178.15 177.33 2kkv h LYS 61 N 0.00 0.20 -0.45 2.37 1.79 -0.49 0.66 116.57 120.65 2kkv h LYS 61 Ca -0.00 -0.11 -0.11 0.00 -2.18 0.00 0.00 60.65 58.24 2kkv h LYS 61 Cb 0.65 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.30 2kkv h LYS 61 CO 0.03 0.67 -0.14 0.93 -1.08 0.00 0.00 179.45 179.86 2kkv h GLU 62 N 0.16 0.90 0.00 3.15 5.08 -1.26 -1.51 114.58 121.09 2kkv h GLU 62 Ca 0.00 -0.36 -0.17 0.00 -1.00 0.00 0.00 59.36 57.83 2kkv h GLU 62 Cb 0.96 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 2kkv h GLU 62 CO 0.08 1.01 -0.83 -0.39 -1.00 0.00 0.00 179.01 177.88 2kkv h VAL 63 N 0.74 1.53 -0.15 3.13 -1.51 -1.25 -2.76 116.25 115.96 2kkv h VAL 63 Ca 0.11 -2.91 -0.17 0.00 -1.23 0.00 0.00 66.70 62.50 2kkv h VAL 63 Cb 0.70 2.60 0.01 0.00 -2.13 0.00 0.00 31.29 32.46 2kkv h VAL 63 CO 0.05 0.81 -0.56 -2.24 -1.23 0.00 0.00 177.57 174.41 2kkv h ASP 64 N 0.00 0.76 0.56 4.19 2.03 -0.82 -2.68 116.42 120.46 2kkv h ASP 64 Ca -0.01 -0.61 0.00 0.00 -0.73 0.00 0.00 57.03 55.68 2kkv h ASP 64 Cb 1.53 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 39.81 2kkv h ASP 64 CO 0.11 1.24 0.00 0.74 -1.03 0.00 0.00 179.24 180.29 2kkv h THR 65 N 0.32 0.00 -0.03 1.15 2.02 -1.31 -0.97 112.91 114.08 2kkv h THR 65 Ca -0.03 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2kkv h THR 65 Cb 1.18 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 2kkv h THR 65 CO 0.12 0.00 0.00 -0.24 0.37 0.00 0.00 175.52 175.77 2kkv n SER 66 N -2.51 0.30 0.00 4.18 2.88 -1.02 -4.82 113.62 112.63 2kkv n SER 66 Ca 0.00 -1.50 0.00 0.00 -1.33 0.00 0.00 58.87 56.05 2kkv n SER 66 Cb 0.19 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 2kkv n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kkv n GLY 67 N 0.84 0.91 2.79 0.46 0.00 -0.43 -5.02 105.19 104.74 2kkv n GLY 67 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2kkv n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kkv n LYS 68 N -0.86 4.40 -0.02 1.61 4.01 -0.84 -4.83 118.16 121.64 2kkv n LYS 68 Ca 0.00 -4.65 -0.13 0.00 -0.51 0.00 0.00 58.31 53.02 2kkv n LYS 68 Cb 0.00 -2.43 -0.10 0.00 -0.51 0.00 0.00 35.03 31.99 2kkv n LYS 68 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 2kkv h HIS 69 N 4.59 0.03 -0.54 2.13 2.76 -1.85 -2.31 115.15 119.96 2kkv h HIS 69 Ca 0.30 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.37 2kkv h HIS 69 Cb 0.51 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.45 2kkv h HIS 69 CO 1.06 0.57 -0.03 -0.44 -1.30 0.00 0.00 177.93 177.79 2kkv h ASP 70 N -0.51 0.96 -0.75 3.26 5.19 -1.93 -3.18 116.42 119.46 2kkv h ASP 70 Ca 0.00 -0.32 0.06 0.00 -0.62 0.00 0.00 57.03 56.15 2kkv h ASP 70 Cb 0.56 -0.26 -0.06 0.00 0.18 0.00 0.00 39.33 39.75 2kkv h ASP 70 CO 0.00 1.05 0.44 0.58 -3.12 0.00 0.00 179.24 178.19 2kkv h VAL 71 N 0.85 0.99 0.16 -1.35 2.07 -1.92 -1.96 116.25 115.09 2kkv h VAL 71 Ca 0.15 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.41 2kkv h VAL 71 Cb 0.58 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 2kkv h VAL 71 CO 0.03 0.14 -0.40 0.00 0.02 0.00 0.00 177.57 177.37 2kkv h ALA 72 N 1.38 -0.73 -0.19 1.67 0.00 -1.39 0.10 119.26 120.10 2kkv h ALA 72 Ca 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2kkv h ALA 72 Cb 0.20 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2kkv h ALA 72 CO -0.19 -0.97 0.12 0.37 0.00 0.00 0.00 179.25 178.59 2kkv h GLN 73 N -0.66 0.26 -0.49 0.00 5.75 -1.59 -0.35 115.11 118.02 2kkv h GLN 73 Ca 0.01 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2kkv h GLN 73 Cb 0.67 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 2kkv h GLN 73 CO -0.21 0.19 0.31 0.00 -2.65 0.00 0.00 178.83 176.48 2kkv h ARG 74 N 0.25 0.65 -0.02 1.69 3.08 -1.15 0.91 114.38 119.79 2kkv h ARG 74 Ca 0.07 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 2kkv h ARG 74 Cb -0.01 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.90 2kkv h ARG 74 CO -0.01 0.44 -0.10 -0.07 -1.07 0.00 0.00 179.97 179.16 2kkv h LEU 75 N 0.67 0.12 -1.12 3.04 4.07 -0.28 -3.01 115.31 118.81 2kkv h LEU 75 Ca 0.18 -0.66 -0.06 0.00 0.08 0.00 0.00 57.88 57.43 2kkv h LEU 75 Cb -0.06 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 2kkv h LEU 75 CO -0.04 0.76 0.00 0.06 -1.08 0.00 0.00 178.44 178.14 2kkv h GLN 76 N -0.51 0.62 -0.37 1.13 3.07 -0.82 -0.47 115.11 117.76 2kkv h GLN 76 Ca -0.01 -0.14 0.03 0.00 0.09 0.00 0.00 58.65 58.62 2kkv h GLN 76 Cb 0.75 -0.08 -0.02 0.00 0.08 0.00 0.00 27.48 28.21 2kkv h GLN 76 CO 0.02 0.64 0.25 0.37 0.09 0.00 0.00 178.83 180.20 2kkv h GLN 77 N 0.59 0.40 0.21 0.06 4.15 -0.89 -2.97 115.11 116.65 2kkv h GLN 77 Ca 0.12 -0.02 -0.35 0.00 0.77 0.00 0.00 58.65 59.17 2kkv h GLN 77 Cb 0.37 -0.09 0.02 0.00 0.21 0.00 0.00 27.48 27.99 2kkv h GLN 77 CO 0.01 0.26 -1.66 0.00 -1.93 0.00 0.00 178.83 175.51 2kkv h ARG 78 N 0.41 0.44 -0.31 1.69 3.08 -1.04 -3.33 114.38 115.33 2kkv h ARG 78 Ca 0.15 -0.76 -0.05 0.00 0.07 0.00 0.00 59.98 59.39 2kkv h ARG 78 Cb 0.10 0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 2kkv h ARG 78 CO -0.03 1.36 -0.03 -0.24 -1.07 0.00 0.00 179.97 179.96 2kkv h VAL 79 N 0.11 1.20 -0.02 2.04 3.04 -1.01 -1.63 116.25 119.98 2kkv h VAL 79 Ca -0.32 -0.80 -0.12 0.00 -1.01 0.00 0.00 66.70 64.45 2kkv h VAL 79 Cb 2.12 1.00 -0.02 0.00 -2.01 0.00 0.00 31.29 32.38 2kkv h VAL 79 CO 0.21 0.27 -0.55 0.00 -1.01 0.00 0.00 177.57 176.49 2kkv h THR 80 N 0.46 1.39 -0.09 3.17 1.03 -1.68 -2.73 112.91 114.46 2kkv h THR 80 Ca 0.10 -1.87 -0.09 0.00 -0.01 0.00 0.00 66.41 64.53 2kkv h THR 80 Cb 0.35 1.99 -0.01 0.00 -1.07 0.00 0.00 68.15 69.41 2kkv h THR 80 CO 0.01 0.54 -0.35 0.00 -0.01 0.00 0.00 175.52 175.71 2kkv h ALA 81 N 1.40 1.24 0.32 0.00 0.00 -1.41 -0.72 119.26 120.09 2kkv h ALA 81 Ca -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2kkv h ALA 81 Cb 0.98 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2kkv h ALA 81 CO 0.07 0.52 -0.17 0.82 0.00 0.00 0.00 179.25 180.50 2kkv h ILE 82 N 0.16 0.66 -0.79 0.00 1.08 -1.15 -1.04 117.51 116.43 2kkv h ILE 82 Ca 0.02 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.44 2kkv h ILE 82 Cb 0.70 0.66 -0.03 0.00 -3.07 0.00 0.00 36.82 35.07 2kkv h ILE 82 CO 0.05 0.00 0.31 -0.03 -0.69 0.00 0.00 178.15 177.80 2kkv h MET 83 N -0.45 1.18 -0.49 2.37 4.05 -1.41 -2.37 114.93 117.80 2kkv h MET 83 Ca -0.04 -0.21 -0.06 0.00 -0.28 0.00 0.00 59.70 59.11 2kkv h MET 83 Cb 0.36 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 2kkv h MET 83 CO 0.06 0.95 0.06 -0.09 0.23 0.00 0.00 176.91 178.13 2kkv h ARG 84 N 1.15 0.78 -0.58 0.39 2.43 -0.98 -0.91 114.38 116.66 2kkv h ARG 84 Ca 0.26 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2kkv h ARG 84 Cb 0.21 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 2kkv h ARG 84 CO -0.02 0.75 0.27 -0.92 -1.51 0.00 0.00 179.97 178.53 2kkv h TYR 85 N 0.74 0.85 -0.48 2.20 3.20 -0.80 0.91 116.97 123.58 2kkv h TYR 85 Ca 0.16 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.93 2kkv h TYR 85 Cb 0.36 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 2kkv h TYR 85 CO 0.02 0.65 0.09 0.00 -1.64 0.00 0.00 178.16 177.28 2kkv h ALA 86 N 1.11 1.24 -0.02 1.82 0.00 -0.88 -0.19 119.26 122.35 2kkv h ALA 86 Ca 0.20 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 2kkv h ALA 86 Cb 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2kkv h ALA 86 CO -0.02 0.52 -0.82 0.28 0.00 0.00 0.00 179.25 179.21 2kkv h VAL 87 N 0.72 1.44 -0.83 0.00 2.07 -0.91 0.31 116.25 119.05 2kkv h VAL 87 Ca 0.16 -2.41 -0.00 0.00 0.82 0.00 0.00 66.70 65.26 2kkv h VAL 87 Cb 0.32 2.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.37 2kkv h VAL 87 CO 0.00 0.71 0.50 -0.61 0.02 0.00 0.00 177.57 178.19 2kkv h GLN 88 N 0.16 1.13 0.00 1.57 -0.00 -0.21 -0.04 115.11 117.73 2kkv h GLN 88 Ca -0.04 -0.10 0.00 0.00 -0.00 0.00 0.00 58.65 58.51 2kkv h GLN 88 Cb 1.42 -0.24 0.00 0.00 0.00 0.00 0.00 27.48 28.66 2kkv h GLN 88 CO 0.13 0.79 0.00 -0.91 0.00 0.00 0.00 178.83 178.84 2kkv h ASN 89 N 1.14 0.00 -2.34 -0.69 -0.26 -0.92 -3.47 115.58 109.04 2kkv h ASN 89 Ca 0.30 0.00 -0.33 0.00 -0.56 0.00 0.00 56.30 55.71 2kkv h ASN 89 Cb -0.04 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.20 2kkv h ASN 89 CO -0.06 0.00 -0.42 -0.67 -1.06 0.00 0.00 177.43 175.22 2kkv n ASP 90 N -2.34 -4.91 0.07 5.81 2.03 -0.03 -4.91 116.55 112.28 2kkv n ASP 90 Ca 0.03 -0.01 -0.12 0.00 0.52 0.00 0.00 54.79 55.22 2kkv n ASP 90 Cb 0.33 -4.01 -0.13 0.00 -0.72 0.00 0.00 41.12 36.58 2kkv n ASP 90 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2kkv h TYR 91 N 0.00 0.25 -4.41 -0.67 3.20 -0.69 -3.46 116.97 111.19 2kkv h TYR 91 Ca -0.39 -0.18 -0.09 0.00 3.14 0.00 0.00 58.73 61.20 2kkv h TYR 91 Cb 1.29 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.55 2kkv h TYR 91 CO 0.44 1.16 -0.03 0.44 -1.64 0.00 0.00 178.16 178.54 2kkv n ILE 92 N -3.41 0.00 -0.11 1.81 -5.35 -1.22 -5.05 119.36 106.03 2kkv n ILE 92 Ca -0.07 -0.36 -0.22 0.00 -0.27 0.00 0.00 62.75 61.84 2kkv n ILE 92 Cb 0.99 -0.73 -0.12 0.00 -1.74 0.00 0.00 39.64 38.05 2kkv n ILE 92 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2kkv n ASP 93 N -2.54 1.99 -1.82 7.28 9.92 -1.26 -4.91 116.55 125.20 2kkv n ASP 93 Ca 0.02 0.06 -0.06 0.00 -0.53 0.00 0.00 54.79 54.28 2kkv n ASP 93 Cb 0.11 -0.60 -0.01 0.00 -0.64 0.00 0.00 41.12 39.98 2kkv n ASP 93 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2kkv n SER 94 N -3.61 -0.69 -4.01 -2.24 2.88 -1.26 -5.12 113.62 99.58 2kkv n SER 94 Ca -0.46 -1.77 -0.32 0.00 -1.33 0.00 0.00 58.87 54.99 2kkv n SER 94 Cb 0.95 1.23 -0.11 0.00 -0.75 0.00 0.00 64.21 65.54 2kkv n SER 94 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2kkv s ASN 95 N -1.91 5.02 0.20 -3.46 -0.87 -1.26 -4.93 114.94 107.73 2kkv s ASN 95 Ca 0.11 -3.32 -0.08 0.00 -1.57 0.00 0.00 52.86 47.99 2kkv s ASN 95 Cb -0.01 -1.75 0.11 0.00 -0.02 0.00 0.00 41.25 39.58 2kkv s ASN 95 CO 0.08 -0.22 1.71 -0.65 -2.57 0.00 0.00 177.10 175.44 2kkv h PRO 96 N 6.27 1.14 -1.11 -0.60 0.11 -1.87 -3.27 132.00 132.67 2kkv h PRO 96 Ca 0.04 -0.29 -0.59 0.00 0.11 0.00 0.00 66.00 65.27 2kkv h PRO 96 Cb 0.86 -0.14 -0.40 0.00 0.11 0.00 0.00 31.00 31.43 2kkv h PRO 96 CO 0.73 1.01 -0.47 0.00 -0.21 0.00 0.00 178.00 179.07 2kkv n ALA 97 N -2.46 5.29 -0.02 -0.75 0.00 -1.25 -4.22 120.51 117.09 2kkv n ALA 97 Ca 0.05 -3.95 -0.16 0.00 0.00 0.00 0.00 53.44 49.38 2kkv n ALA 97 Cb 0.28 -0.67 -0.12 0.00 0.00 0.00 0.00 19.45 18.94 2kkv n ALA 97 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kkv h SER 98 N 2.35 0.28 -3.97 0.00 0.87 -1.93 -3.39 113.55 107.75 2kkv h SER 98 Ca 0.39 -0.81 -0.70 0.00 -1.23 0.00 0.00 61.79 59.44 2kkv h SER 98 Cb 1.15 -0.09 -0.35 0.00 -0.44 0.00 0.00 62.40 62.68 2kkv h SER 98 CO 0.93 1.05 -0.28 -0.62 -0.53 0.00 0.00 176.83 177.38 2kkv s ASP 99 N -6.44 5.47 0.00 6.23 2.15 -1.26 -4.71 116.67 118.11 2kkv s ASP 99 Ca -0.15 -3.06 0.00 0.00 0.43 0.00 0.00 52.55 49.76 2kkv s ASP 99 Cb 0.01 -1.88 0.00 0.00 -0.30 0.00 0.00 42.92 40.75 2kkv s ASP 99 CO 0.76 -0.33 0.00 1.15 -0.17 0.00 0.00 175.17 176.58 2kkv n MET 100 N 3.22 3.25 -3.12 4.34 0.00 -1.26 -4.65 117.12 118.90 2kkv n MET 100 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.39 2kkv n MET 100 Cb 0.38 -0.39 -0.07 0.00 0.00 0.00 0.00 33.22 33.14 2kkv n MET 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kkv s ALA 101 N -0.36 3.39 0.55 3.17 0.00 -1.26 -4.94 121.76 122.31 2kkv s ALA 101 Ca 0.00 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 50.91 2kkv s ALA 101 Cb 0.00 -3.24 0.04 0.00 0.00 0.00 0.00 23.12 19.92 2kkv s ALA 101 CO 0.00 -1.60 0.77 0.20 0.00 0.00 0.00 175.76 175.12 2kkv s GLY 102 N 1.92 1.84 -0.70 0.00 0.00 -1.26 -5.06 107.32 104.05 2kkv s GLY 102 Ca 0.23 -1.48 -0.10 0.00 0.00 0.00 0.00 44.72 43.36 2kkv s GLY 102 CO 0.17 -1.17 0.60 0.00 0.00 0.00 0.00 173.10 172.70 2kkv s ALA 103 N -2.73 3.82 -0.21 3.20 0.00 -1.26 -4.84 121.76 119.75 2kkv s ALA 103 Ca 0.58 -3.15 0.13 0.00 0.00 0.00 0.00 51.96 49.53 2kkv s ALA 103 Cb -0.09 -3.17 -0.22 0.00 0.00 0.00 0.00 23.12 19.64 2kkv s ALA 103 CO 0.38 -2.16 -0.01 1.47 0.00 0.00 0.00 175.76 175.44 2kkv n LEU 104 N 4.04 0.75 -1.00 0.00 -0.00 -1.26 -4.75 117.00 114.78 2kkv n LEU 104 Ca 0.07 -0.03 -0.03 0.00 -0.00 0.00 0.00 56.01 56.01 2kkv n LEU 104 Cb 0.43 0.14 -0.04 0.00 -0.00 0.00 0.00 43.42 43.95 2kkv n LEU 104 CO 0.36 0.59 0.27 -1.20 -0.00 0.00 0.00 177.39 177.41 2kkv n SER 105 N -2.85 -0.40 -4.56 1.45 7.64 -1.26 -5.09 113.62 108.56 2kkv n SER 105 Ca -0.35 -1.85 -0.41 0.00 1.01 0.00 0.00 58.87 57.27 2kkv n SER 105 Cb 1.09 0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 64.37 2kkv n SER 105 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2kkv s THR 106 N 0.00 3.70 0.54 0.44 -4.23 -1.26 -5.00 115.64 109.83 2kkv s THR 106 Ca 0.07 0.50 -0.20 0.00 -1.18 0.00 0.00 61.69 60.87 2kkv s THR 106 Cb 0.08 -4.58 -0.06 0.00 1.34 0.00 0.00 72.50 69.29 2kkv s THR 106 CO -0.03 -1.43 1.17 0.42 -0.54 0.00 0.00 174.62 174.21 2kkv s THR 107 N 6.36 2.94 -0.56 3.99 -4.23 -1.26 -4.95 115.64 117.94 2kkv s THR 107 Ca 0.47 0.62 -0.27 0.00 -1.18 0.00 0.00 61.69 61.33 2kkv s THR 107 Cb -0.10 -3.27 0.03 0.00 1.34 0.00 0.00 72.50 70.51 2kkv s THR 107 CO 0.20 -0.09 1.11 -0.54 -0.54 0.00 0.00 174.62 174.75 2kkv s LYS 108 N -3.14 3.48 0.00 3.99 3.01 -1.26 -4.54 119.74 121.27 2kkv s LYS 108 Ca 0.72 0.12 0.00 0.00 -1.01 0.00 0.00 55.97 55.80 2kkv s LYS 108 Cb -0.28 -4.01 0.00 0.00 -1.01 0.00 0.00 37.83 32.53 2kkv s LYS 108 CO 0.31 -1.59 0.00 0.00 0.51 0.00 0.00 175.35 174.59 2kkv n ALA 109 N 8.08 0.00 -3.55 5.17 0.00 -1.26 -5.17 120.51 123.78 2kkv n ALA 109 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2kkv n ALA 109 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2kkv n ALA 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kkv n ARG 110 N 0.00 1.41 -2.60 0.00 3.00 -1.26 -4.99 116.66 112.22 2kkv n ARG 110 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.85 57.78 2kkv n ARG 110 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.47 2kkv n ARG 110 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 2kkv n HIS 111 N 0.00 -2.87 -3.83 -1.55 -0.00 -1.26 -5.06 115.22 100.65 2kkv n HIS 111 Ca 0.00 1.16 -0.27 0.00 0.46 0.00 0.00 57.72 59.06 2kkv n HIS 111 Cb 0.00 -3.63 -0.17 0.00 -0.12 0.00 0.00 29.99 26.08 2kkv n HIS 111 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 2kkv s TYR 112 N -2.31 1.43 0.34 1.57 2.02 -1.26 -5.13 117.35 114.01 2kkv s TYR 112 Ca 0.20 -0.94 -0.24 0.00 -0.37 0.00 0.00 57.07 55.71 2kkv s TYR 112 Cb -0.06 -1.18 -0.10 0.00 -0.40 0.00 0.00 41.96 40.22 2kkv s TYR 112 CO 0.63 -0.59 0.93 -1.25 -1.57 0.00 0.00 175.55 173.70 2kkv s PRO 113 N 1.72 4.48 0.01 -1.71 0.04 -1.26 -4.96 135.00 133.32 2kkv s PRO 113 Ca 0.00 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2kkv s PRO 113 Cb -0.16 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.73 2kkv s PRO 113 CO -0.07 0.21 0.00 -0.11 0.04 0.00 0.00 177.00 177.07 2kkv n LEU 114 N 0.28 -0.02 -4.63 -3.56 7.94 -1.26 -5.11 117.00 110.64 2kkv n LEU 114 Ca 0.03 0.01 -0.31 0.00 -1.11 0.00 0.00 56.01 54.63 2kkv n LEU 114 Cb 0.51 0.11 -0.09 0.00 0.53 0.00 0.00 43.42 44.47 2kkv n LEU 114 CO 0.43 -0.50 -0.37 -0.70 -1.11 0.00 0.00 177.39 175.13 2kkv s GLU 115 N -1.03 2.48 -0.32 1.96 2.56 -1.26 -5.10 118.70 117.99 2kkv s GLU 115 Ca 0.00 -0.81 -0.01 0.00 0.00 0.00 0.00 54.97 54.14 2kkv s GLU 115 Cb 0.00 -2.48 0.11 0.00 2.00 0.00 0.00 34.13 33.75 2kkv s GLU 115 CO 0.00 0.57 0.14 -3.38 -0.56 0.00 0.00 175.26 172.02 2kkv s HIS 116 N -1.14 1.13 -0.80 5.30 -3.43 -1.26 -5.07 115.29 110.02 2kkv s HIS 116 Ca 0.21 -1.50 -0.26 0.00 -0.80 0.00 0.00 55.06 52.71 2kkv s HIS 116 Cb -0.11 -1.35 0.01 0.00 -1.43 0.00 0.00 32.58 29.70 2kkv s HIS 116 CO 0.12 -0.85 1.56 -1.01 -2.00 0.00 0.00 174.74 172.57 2kkv s HIS 117 N 1.58 2.11 -0.01 0.38 3.76 -1.26 -4.97 115.29 116.88 2kkv s HIS 117 Ca 0.11 0.08 0.03 0.00 -0.15 0.00 0.00 55.06 55.13 2kkv s HIS 117 Cb -0.18 -4.43 -0.03 0.00 1.11 0.00 0.00 32.58 29.05 2kkv s HIS 117 CO -0.23 -2.06 -0.06 -3.38 -0.85 0.00 0.00 174.74 168.17 2kkv s HIS 118 N 7.03 2.93 -0.30 1.40 -3.43 -1.26 -4.80 115.29 116.87 2kkv s HIS 118 Ca 0.51 -0.01 -0.08 0.00 -0.80 0.00 0.00 55.06 54.68 2kkv s HIS 118 Cb -0.07 -1.63 0.01 0.00 -1.43 0.00 0.00 32.58 29.46 2kkv s HIS 118 CO 0.08 0.38 0.31 1.58 -2.00 0.00 0.00 174.74 175.09 2kkv n HIS 119 N 1.63 -2.80 -3.15 0.38 -0.00 -1.26 -4.96 115.22 105.05 2kkv n HIS 119 Ca -0.16 1.17 -0.45 0.00 -0.00 0.00 0.00 57.72 58.28 2kkv n HIS 119 Cb 0.53 -3.46 -0.05 0.00 -0.00 0.00 0.00 29.99 27.01 2kkv n HIS 119 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kkv s HIS 120 N -1.90 3.06 -1.20 1.57 2.46 -1.26 -5.19 115.29 112.83 2kkv s HIS 120 Ca 0.13 -1.05 0.10 0.00 0.47 0.00 0.00 55.06 54.70 2kkv s HIS 120 Cb -0.04 -3.97 0.08 0.00 -0.13 0.00 0.00 32.58 28.52 2kkv s HIS 120 CO 0.59 -1.24 0.80 1.58 -2.47 0.00 0.00 174.74 174.00