#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkv s GLU 2 N 0.00 3.37 0.20 0.03 2.02 -1.26 -4.98 118.70 118.08 2kkv s GLU 2 Ca 0.00 0.54 0.07 0.00 0.02 0.00 0.00 54.97 55.60 2kkv s GLU 2 Cb 0.00 -4.09 -0.05 0.00 0.10 0.00 0.00 34.13 30.09 2kkv s GLU 2 CO 0.00 -1.84 -0.12 1.21 0.02 0.00 0.00 175.26 174.53 2kkv s ASN 3 N 4.21 2.38 0.25 -0.19 2.47 -1.26 -5.05 114.94 117.75 2kkv s ASN 3 Ca 0.53 -1.04 -0.02 0.00 0.42 0.00 0.00 52.86 52.76 2kkv s ASN 3 Cb -0.11 -0.10 0.30 0.00 -1.45 0.00 0.00 41.25 39.89 2kkv s ASN 3 CO 0.27 -0.23 1.71 0.28 -3.72 0.00 0.00 177.10 175.40 2kkv h SER 4 N 2.59 0.71 -3.12 -4.21 0.02 -1.94 -3.44 113.55 104.15 2kkv h SER 4 Ca -0.38 -0.21 0.03 0.00 -0.84 0.00 0.00 61.79 60.39 2kkv h SER 4 Cb 1.21 -0.19 -0.22 0.00 0.14 0.00 0.00 62.40 63.34 2kkv h SER 4 CO 0.63 0.86 0.13 -0.83 -1.14 0.00 0.00 176.83 176.48 2kkv s GLY 5 N -3.83 -0.48 0.02 -3.77 0.00 -1.26 -5.10 107.32 92.90 2kkv s GLY 5 Ca -0.09 2.50 -0.30 0.00 0.00 0.00 0.00 44.72 46.82 2kkv s GLY 5 CO 0.81 2.28 1.20 0.00 0.00 0.00 0.00 173.10 177.39 2kkv s ALA 6 N 1.26 3.42 -0.96 3.20 0.00 -1.26 -3.61 121.76 123.80 2kkv s ALA 6 Ca -0.07 0.77 -0.08 0.00 0.00 0.00 0.00 51.96 52.58 2kkv s ALA 6 Cb -0.05 -3.47 0.07 0.00 0.00 0.00 0.00 23.12 19.68 2kkv s ALA 6 CO -0.14 -0.54 0.30 2.48 0.00 0.00 0.00 175.76 177.85 2kkv n TYR 7 N 4.35 -1.69 -3.29 0.00 0.18 -1.26 -4.91 117.16 110.55 2kkv n TYR 7 Ca 0.10 0.31 -0.38 0.00 1.88 0.00 0.00 57.90 59.80 2kkv n TYR 7 Cb 0.46 -2.07 -0.06 0.00 -0.38 0.00 0.00 39.34 37.29 2kkv n TYR 7 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 2kkv s THR 8 N -2.66 5.16 0.16 -3.48 2.01 -1.24 -3.46 115.64 112.14 2kkv s THR 8 Ca 0.31 0.95 -0.17 0.00 0.31 0.00 0.00 61.69 63.09 2kkv s THR 8 Cb -0.17 -3.82 0.08 0.00 0.01 0.00 0.00 72.50 68.59 2kkv s THR 8 CO 0.38 0.28 1.67 0.15 -0.69 0.00 0.00 174.62 176.41 2kkv h PHE 9 N 6.95 -0.22 -0.11 4.92 3.57 -1.94 -1.09 116.94 129.02 2kkv h PHE 9 Ca -0.39 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.06 2kkv h PHE 9 Cb 1.17 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 2kkv h PHE 9 CO 0.64 -0.17 -0.33 0.93 -2.23 0.00 0.00 178.31 177.16 2kkv h GLU 10 N -0.01 0.21 -0.03 1.11 4.39 -1.99 -2.43 114.58 115.83 2kkv h GLU 10 Ca 0.18 -0.08 -0.15 0.00 0.34 0.00 0.00 59.36 59.65 2kkv h GLU 10 Cb 0.29 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2kkv h GLU 10 CO -0.40 0.52 -0.67 1.15 -1.16 0.00 0.00 179.01 178.45 2kkv h THR 11 N 0.18 1.43 0.00 1.13 2.02 -1.58 -2.50 112.91 113.59 2kkv h THR 11 Ca 0.02 -2.18 -0.14 0.00 0.77 0.00 0.00 66.41 64.88 2kkv h THR 11 Cb 0.67 2.15 -0.02 0.00 -1.74 0.00 0.00 68.15 69.22 2kkv h THR 11 CO 0.05 0.63 -0.66 0.40 0.37 0.00 0.00 175.52 176.31 2kkv h ILE 12 N 0.10 1.35 0.00 3.11 2.04 -1.08 -2.92 117.51 120.11 2kkv h ILE 12 Ca -0.01 -2.37 -0.03 0.00 1.00 0.00 0.00 64.86 63.45 2kkv h ILE 12 Cb 1.19 2.32 -0.00 0.00 -0.74 0.00 0.00 36.82 39.59 2kkv h ILE 12 CO 0.10 0.65 -0.14 0.00 0.00 0.00 0.00 178.15 178.76 2kkv h ALA 13 N 1.34 1.65 -0.93 1.87 0.00 -1.02 -2.74 119.26 119.43 2kkv h ALA 13 Ca -0.01 -0.13 0.20 0.00 0.00 0.00 0.00 54.91 54.98 2kkv h ALA 13 Cb 1.27 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 2kkv h ALA 13 CO 0.09 0.17 0.61 -0.09 0.00 0.00 0.00 179.25 180.03 2kkv h ARG 14 N 0.00 0.45 0.43 0.00 9.65 -1.27 0.18 114.38 123.82 2kkv h ARG 14 Ca -0.00 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 2kkv h ARG 14 Cb 0.26 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.72 2kkv h ARG 14 CO 0.02 0.30 -0.47 1.49 2.80 0.00 0.00 179.97 184.10 2kkv h GLU 15 N 0.46 -0.89 0.00 0.20 4.57 -1.66 -2.71 114.58 114.56 2kkv h GLU 15 Ca 0.49 0.06 -0.19 0.00 -1.18 0.00 0.00 59.36 58.54 2kkv h GLU 15 Cb 1.15 0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.91 2kkv h GLU 15 CO -0.21 -0.59 -1.01 0.11 -1.18 0.00 0.00 179.01 176.13 2kkv h TRP 16 N -0.92 0.00 -0.69 0.92 5.08 -1.70 -3.33 115.95 115.31 2kkv h TRP 16 Ca -0.05 0.00 0.20 0.00 1.08 0.00 0.00 58.89 60.13 2kkv h TRP 16 Cb 0.82 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.95 2kkv h TRP 16 CO -0.26 0.83 0.55 1.25 -1.28 0.00 0.00 178.44 179.52 2kkv h HIS 17 N 0.00 0.00 0.00 0.12 2.76 -0.44 -0.83 115.15 116.76 2kkv h HIS 17 Ca -0.06 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 2kkv h HIS 17 Cb 1.69 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.65 2kkv h HIS 17 CO 0.00 0.00 0.00 0.39 -1.30 0.00 0.00 177.93 177.02 2kkv n GLU 18 N -4.13 0.04 0.10 5.26 -0.58 -1.04 -0.42 120.64 119.88 2kkv n GLU 18 Ca 0.14 0.33 0.13 0.00 -0.42 0.00 0.00 57.16 57.34 2kkv n GLU 18 Cb 0.81 -1.50 0.38 0.00 -0.57 0.00 0.00 31.44 30.56 2kkv n GLU 18 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2kkv n SER 19 N -1.41 0.82 -4.94 1.62 2.88 -0.32 -4.81 113.62 107.47 2kkv n SER 19 Ca 0.02 0.55 -0.25 0.00 -1.33 0.00 0.00 58.87 57.86 2kkv n SER 19 Cb 0.06 -0.73 -0.02 0.00 -0.75 0.00 0.00 64.21 62.76 2kkv n SER 19 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2kkv s ASN 20 N -4.54 6.34 0.31 -3.46 -0.87 0.45 -5.12 114.94 108.04 2kkv s ASN 20 Ca 0.10 0.35 0.03 0.00 -1.57 0.00 0.00 52.86 51.77 2kkv s ASN 20 Cb 0.12 -1.98 -0.06 0.00 -0.02 0.00 0.00 41.25 39.31 2kkv s ASN 20 CO 0.61 -0.13 0.08 -0.54 -2.57 0.00 0.00 177.10 174.55 2kkv s LYS 21 N -3.80 1.58 -0.20 -0.60 -0.14 -1.26 -4.99 119.74 110.34 2kkv s LYS 21 Ca 0.38 -1.88 -0.00 0.00 -1.36 0.00 0.00 55.97 53.11 2kkv s LYS 21 Cb -0.10 -0.61 0.00 0.00 -1.68 0.00 0.00 37.83 35.44 2kkv s LYS 21 CO 0.31 -0.26 0.01 -2.13 -0.76 0.00 0.00 175.35 172.52 2kkv n ARG 22 N -0.62 -2.30 -4.09 1.68 0.00 -1.26 -5.10 116.66 104.97 2kkv n ARG 22 Ca -0.02 2.00 -0.20 0.00 -0.00 0.00 0.00 57.85 59.63 2kkv n ARG 22 Cb 0.66 -3.82 -0.07 0.00 0.00 0.00 0.00 32.46 29.24 2kkv n ARG 22 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.63 174.96 2kkv n TRP 23 N 0.48 -0.23 -3.48 -0.14 2.14 -1.26 -5.16 117.44 109.80 2kkv n TRP 23 Ca -0.01 -2.42 -0.04 0.00 2.07 0.00 0.00 57.50 57.10 2kkv n TRP 23 Cb 0.02 0.11 -0.06 0.00 -0.81 0.00 0.00 31.31 30.57 2kkv n TRP 23 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 2kkv s SER 24 N -3.18 -0.64 0.52 -0.67 1.04 -1.26 -5.04 113.70 104.47 2kkv s SER 24 Ca 0.26 0.96 0.21 0.00 0.48 0.00 0.00 55.95 57.86 2kkv s SER 24 Cb 0.01 1.73 1.36 0.00 0.10 0.00 0.00 66.02 69.23 2kkv s SER 24 CO 0.18 -0.25 2.11 -0.33 0.98 0.00 0.00 173.24 175.93 2kkv h GLU 25 N 8.09 0.00 0.06 4.02 4.39 -2.01 0.45 114.58 129.58 2kkv h GLU 25 Ca -0.19 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 2kkv h GLU 25 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 2kkv h GLU 25 CO 0.18 0.08 -0.03 -0.44 -1.16 0.00 0.00 179.01 177.64 2kkv h ASP 26 N 0.00 -0.06 0.62 1.42 3.32 -2.02 -3.23 116.42 116.46 2kkv h ASP 26 Ca -0.00 -0.52 -0.08 0.00 0.02 0.00 0.00 57.03 56.45 2kkv h ASP 26 Cb 0.17 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2kkv h ASP 26 CO 0.01 0.52 -0.37 0.45 -1.72 0.00 0.00 179.24 178.13 2kkv h HIS 27 N -0.69 0.00 -0.74 4.55 3.86 -1.93 -2.85 115.15 117.35 2kkv h HIS 27 Ca -0.01 0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.37 2kkv h HIS 27 Cb 0.58 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.93 2kkv h HIS 27 CO 0.12 0.37 0.07 -0.09 0.86 0.00 0.00 177.93 179.26 2kkv h ARG 28 N 0.00 0.15 0.00 2.45 9.65 -0.93 0.13 114.38 125.83 2kkv h ARG 28 Ca -0.00 -0.01 -0.10 0.00 -1.10 0.00 0.00 59.98 58.77 2kkv h ARG 28 Cb 0.78 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.31 2kkv h ARG 28 CO 0.05 0.10 -0.46 0.77 2.80 0.00 0.00 179.97 183.23 2kkv h SER 29 N 0.16 0.00 -0.03 -3.80 0.02 -1.54 -2.15 113.55 106.21 2kkv h SER 29 Ca 0.41 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.27 2kkv h SER 29 Cb 0.72 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.27 2kkv h SER 29 CO -0.60 0.46 -0.34 0.03 -1.14 0.00 0.00 176.83 175.24 2kkv h ARG 30 N 0.00 0.28 0.00 3.45 -0.00 -1.08 -3.08 114.38 113.95 2kkv h ARG 30 Ca -0.00 -0.26 -0.00 0.00 -0.50 0.00 0.00 59.98 59.21 2kkv h ARG 30 Cb 0.92 0.07 -0.00 0.00 0.00 0.00 0.00 29.97 30.96 2kkv h ARG 30 CO 0.06 0.94 -0.01 0.28 0.00 0.00 0.00 179.97 181.24 2kkv h VAL 31 N -0.28 0.03 -0.63 2.04 2.07 -0.82 -2.51 116.25 116.16 2kkv h VAL 31 Ca -0.03 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2kkv h VAL 31 Cb 1.04 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 2kkv h VAL 31 CO 0.07 0.01 0.40 0.25 0.02 0.00 0.00 177.57 178.32 2kkv h LEU 32 N 0.00 0.73 -0.78 2.57 6.46 -1.29 0.16 115.31 123.16 2kkv h LEU 32 Ca -0.00 -0.02 -0.08 0.00 -0.12 0.00 0.00 57.88 57.65 2kkv h LEU 32 Cb 0.35 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 2kkv h LEU 32 CO 0.00 0.54 -0.00 0.03 -0.62 0.00 0.00 178.44 178.38 2kkv h ARG 33 N 0.85 0.92 -0.47 1.25 2.47 -1.54 -1.46 114.38 116.41 2kkv h ARG 33 Ca 0.23 -0.27 -0.13 0.00 -1.26 0.00 0.00 59.98 58.55 2kkv h ARG 33 Cb -0.08 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.13 2kkv h ARG 33 CO -0.05 0.91 -0.21 -0.92 0.56 0.00 0.00 179.97 180.27 2kkv h TYR 34 N 0.85 1.08 0.15 3.04 3.20 -1.39 -2.66 116.97 121.23 2kkv h TYR 34 Ca 0.16 -0.25 0.01 0.00 3.14 0.00 0.00 58.73 61.79 2kkv h TYR 34 Cb 0.51 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 2kkv h TYR 34 CO 0.03 1.06 -0.23 1.25 -1.64 0.00 0.00 178.16 178.63 2kkv h LEU 35 N 0.82 -0.62 -1.04 2.82 5.85 -0.17 -1.49 115.31 121.47 2kkv h LEU 35 Ca 0.11 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 2kkv h LEU 35 Cb 0.77 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 2kkv h LEU 35 CO 0.06 -0.32 -0.43 1.05 -0.34 0.00 0.00 178.44 178.46 2kkv h GLU 36 N -0.44 0.10 -0.00 1.25 4.11 -1.32 0.12 114.58 118.39 2kkv h GLU 36 Ca 0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.40 2kkv h GLU 36 Cb 0.44 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2kkv h GLU 36 CO -0.10 0.51 -0.05 1.28 0.07 0.00 0.00 179.01 180.73 2kkv n LEU 37 N -4.02 0.51 0.06 3.06 4.32 -1.01 -2.17 117.00 117.76 2kkv n LEU 37 Ca -0.02 -0.09 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 2kkv n LEU 37 Cb 0.47 -0.09 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 2kkv n LEU 37 CO 0.41 0.09 -0.05 0.00 -1.22 0.00 0.00 177.39 176.62 2kkv n TYR 38 N -0.75 -0.41 -0.05 -1.77 9.36 -0.58 -4.76 117.16 118.19 2kkv n TYR 38 Ca 0.18 0.07 -0.11 0.00 3.32 0.00 0.00 57.90 61.36 2kkv n TYR 38 Cb 0.24 0.10 -0.15 0.00 -0.63 0.00 0.00 39.34 38.90 2kkv n TYR 38 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 2kkv n ILE 39 N -3.44 1.54 -2.73 2.97 5.41 0.36 -4.46 119.36 119.03 2kkv n ILE 39 Ca 0.00 -0.79 -0.25 0.00 1.00 0.00 0.00 62.75 62.71 2kkv n ILE 39 Cb 0.05 -0.94 -0.02 0.00 -0.71 0.00 0.00 39.64 38.02 2kkv n ILE 39 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2kkv n PHE 40 N -3.00 3.34 0.36 1.39 3.72 -1.10 -4.91 117.46 117.26 2kkv n PHE 40 Ca -0.26 -3.51 -0.16 0.00 -0.05 0.00 0.00 57.45 53.47 2kkv n PHE 40 Cb 1.08 -0.29 -0.08 0.00 -0.94 0.00 0.00 39.48 39.25 2kkv n PHE 40 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2kkv h PRO 41 N 2.80 -0.90 0.00 -1.08 0.13 -1.65 -2.91 132.00 128.38 2kkv h PRO 41 Ca 0.19 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 2kkv h PRO 41 Cb 0.76 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2kkv h PRO 41 CO 0.79 -0.57 -1.22 0.72 -0.23 0.00 0.00 178.00 177.49 2kkv n HIS 42 N -5.43 0.00 1.48 1.56 8.25 -1.26 -4.50 115.22 115.32 2kkv n HIS 42 Ca -0.13 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.45 2kkv n HIS 42 Cb 0.39 -0.19 0.49 0.00 1.12 0.00 0.00 29.99 31.80 2kkv n HIS 42 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2kkv n ILE 43 N -1.71 0.11 1.39 1.59 -5.35 -1.25 -3.38 119.36 110.77 2kkv n ILE 43 Ca -0.00 -0.24 0.12 0.00 -0.27 0.00 0.00 62.75 62.35 2kkv n ILE 43 Cb 0.30 0.23 0.68 0.00 -1.74 0.00 0.00 39.64 39.10 2kkv n ILE 43 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kkv n GLY 44 N 1.08 -0.82 0.32 3.28 0.00 -1.10 -2.00 105.19 105.94 2kkv n GLY 44 Ca 0.17 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.19 2kkv n GLY 44 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kkv n SER 45 N -1.07 1.10 -4.56 1.61 2.88 -1.22 -4.81 113.62 107.54 2kkv n SER 45 Ca 0.16 -1.13 -0.36 0.00 -1.33 0.00 0.00 58.87 56.21 2kkv n SER 45 Cb 0.11 0.04 -0.11 0.00 -0.75 0.00 0.00 64.21 63.50 2kkv n SER 45 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2kkv s SER 46 N -2.24 5.54 0.51 -3.46 0.01 -0.84 -5.10 113.70 108.11 2kkv s SER 46 Ca 0.33 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.56 2kkv s SER 46 Cb 0.20 -1.98 0.02 0.00 0.21 0.00 0.00 66.02 64.47 2kkv s SER 46 CO 0.42 0.06 0.74 1.51 0.41 0.00 0.00 173.24 176.37 2kkv s ASP 47 N 1.07 5.54 0.32 2.44 -4.77 -1.19 -4.91 116.67 115.17 2kkv s ASP 47 Ca 0.05 0.17 0.00 0.00 -3.30 0.00 0.00 52.55 49.47 2kkv s ASP 47 Cb -0.14 -1.22 0.55 0.00 -1.09 0.00 0.00 42.92 41.01 2kkv s ASP 47 CO 0.04 -0.94 1.98 0.40 0.70 0.00 0.00 175.17 177.34 2kkv h ILE 48 N 0.20 1.16 -0.04 2.11 1.08 -1.96 -2.38 117.51 117.70 2kkv h ILE 48 Ca -0.44 -0.34 -0.20 0.00 -0.39 0.00 0.00 64.86 63.49 2kkv h ILE 48 Cb 1.27 0.09 -0.00 0.00 -3.07 0.00 0.00 36.82 35.11 2kkv h ILE 48 CO 0.55 0.18 -0.82 0.03 -0.69 0.00 0.00 178.15 177.40 2kkv h ARG 49 N 0.99 0.38 -2.95 2.37 3.08 -1.84 -3.34 114.38 113.07 2kkv h ARG 49 Ca 0.29 -0.36 -0.62 0.00 0.07 0.00 0.00 59.98 59.36 2kkv h ARG 49 Cb -0.06 0.09 -0.42 0.00 0.08 0.00 0.00 29.97 29.66 2kkv h ARG 49 CO -0.07 1.02 -0.59 0.94 -1.07 0.00 0.00 179.97 180.20 2kkv n GLN 50 N -3.78 1.88 -3.91 0.04 0.00 -0.97 -4.71 117.38 105.93 2kkv n GLN 50 Ca -0.05 -4.48 -0.21 0.00 -0.00 0.00 0.00 57.00 52.26 2kkv n GLN 50 Cb 0.77 -2.26 -0.03 0.00 0.00 0.00 0.00 30.24 28.71 2kkv n GLN 50 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2kkv s LEU 51 N -1.57 4.05 0.50 1.69 2.96 -0.93 -3.14 118.68 122.24 2kkv s LEU 51 Ca 0.27 -0.12 0.09 0.00 -0.22 0.00 0.00 54.13 54.15 2kkv s LEU 51 Cb -0.01 -2.63 0.05 0.00 0.50 0.00 0.00 46.19 44.09 2kkv s LEU 51 CO -0.15 -0.15 0.66 -0.54 -1.32 0.00 0.00 176.35 174.85 2kkv s LYS 52 N -3.98 2.53 0.00 1.98 -0.14 -1.26 -4.85 119.74 114.02 2kkv s LYS 52 Ca 0.36 -1.49 0.00 0.00 -1.36 0.00 0.00 55.97 53.48 2kkv s LYS 52 Cb -0.08 -2.66 0.00 0.00 -1.68 0.00 0.00 37.83 33.41 2kkv s LYS 52 CO 0.28 -0.58 0.00 0.25 -0.76 0.00 0.00 175.35 174.54 2kkv n THR 53 N -2.03 0.00 0.00 2.17 -2.24 -1.26 -2.39 114.28 108.53 2kkv n THR 53 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2kkv n THR 53 Cb 0.61 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 2kkv n THR 53 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2kkv n SER 54 N -0.54 0.00 0.14 3.42 7.64 -1.26 -2.08 113.62 120.94 2kkv n SER 54 Ca 0.00 0.03 0.03 0.00 1.01 0.00 0.00 58.87 59.94 2kkv n SER 54 Cb 0.00 -0.03 0.43 0.00 -1.01 0.00 0.00 64.21 63.60 2kkv n SER 54 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2kkv h HIS 55 N 0.00 0.21 0.00 1.43 -0.00 -1.98 -1.70 115.15 113.12 2kkv h HIS 55 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 2kkv h HIS 55 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.35 2kkv h HIS 55 CO 0.00 0.30 0.00 1.37 -0.00 0.00 0.00 177.93 179.60 2kkv h LEU 56 N 0.20 0.00 -1.12 2.43 8.10 -1.78 -3.21 115.31 119.92 2kkv h LEU 56 Ca 0.04 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.96 2kkv h LEU 56 Cb 0.30 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.50 2kkv h LEU 56 CO 0.02 0.00 -0.22 0.25 -4.11 0.00 0.00 178.44 174.38 2kkv h LEU 57 N 0.00 0.35 0.56 0.17 5.85 -1.52 -3.22 115.31 117.50 2kkv h LEU 57 Ca 0.00 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 2kkv h LEU 57 Cb 0.64 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.58 2kkv h LEU 57 CO 0.00 0.57 -0.27 0.00 -0.34 0.00 0.00 178.44 178.41 2kkv h ALA 58 N 1.46 -0.75 -0.08 1.25 0.00 -1.67 0.81 119.26 120.27 2kkv h ALA 58 Ca 0.05 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2kkv h ALA 58 Cb 0.56 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2kkv h ALA 58 CO 0.04 -0.91 -0.27 -1.00 0.00 0.00 0.00 179.25 177.10 2kkv h PRO 59 N -0.76 0.15 0.00 0.00 0.13 -1.79 -1.71 132.00 128.02 2kkv h PRO 59 Ca -0.08 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 64.94 2kkv h PRO 59 Cb 0.58 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 2kkv h PRO 59 CO 0.13 0.42 -0.30 0.82 -0.23 0.00 0.00 178.00 178.83 2kkv h ILE 60 N 0.14 0.65 0.00 -3.56 5.03 -1.54 -2.98 117.51 115.25 2kkv h ILE 60 Ca 0.02 -1.43 -0.05 0.00 -0.12 0.00 0.00 64.86 63.29 2kkv h ILE 60 Cb 0.56 1.95 -0.01 0.00 -3.03 0.00 0.00 36.82 36.30 2kkv h ILE 60 CO 0.04 0.29 -0.22 0.50 -0.68 0.00 0.00 178.15 178.08 2kkv h LYS 61 N 0.00 0.00 -0.64 2.37 1.63 0.13 -1.73 116.57 118.32 2kkv h LYS 61 Ca -0.00 0.00 0.11 0.00 -0.85 0.00 0.00 60.65 59.91 2kkv h LYS 61 Cb 0.93 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.52 2kkv h LYS 61 CO 0.04 0.22 0.43 1.49 -3.45 0.00 0.00 179.45 178.18 2kkv h GLU 62 N 0.00 0.39 -0.25 1.90 4.57 -1.47 0.93 114.58 120.65 2kkv h GLU 62 Ca -0.00 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 2kkv h GLU 62 Cb 0.53 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2kkv h GLU 62 CO 0.03 0.26 0.04 0.28 -1.18 0.00 0.00 179.01 178.43 2kkv h VAL 63 N 0.40 1.23 -0.63 0.32 2.07 -1.49 -2.46 116.25 115.69 2kkv h VAL 63 Ca 0.30 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 2kkv h VAL 63 Cb 0.64 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 2kkv h VAL 63 CO -0.09 0.25 0.26 -0.78 0.02 0.00 0.00 177.57 177.23 2kkv h ASP 64 N 0.22 0.84 -0.99 0.57 1.82 -1.13 0.18 116.42 117.93 2kkv h ASP 64 Ca 0.08 -0.11 0.08 0.00 -0.39 0.00 0.00 57.03 56.69 2kkv h ASP 64 Cb 0.33 -0.22 -0.07 0.00 0.68 0.00 0.00 39.33 40.06 2kkv h ASP 64 CO 0.01 0.75 0.64 0.74 -1.61 0.00 0.00 179.24 179.76 2kkv h THR 65 N 0.91 1.04 -0.11 2.25 2.02 -0.68 -1.44 112.91 116.89 2kkv h THR 65 Ca 0.22 -0.38 -0.22 0.00 0.77 0.00 0.00 66.41 66.79 2kkv h THR 65 Cb 0.17 -0.17 0.01 0.00 -1.74 0.00 0.00 68.15 66.41 2kkv h THR 65 CO -0.02 0.20 -0.81 0.28 0.37 0.00 0.00 175.52 175.54 2kkv h SER 66 N 1.12 0.84 0.00 4.18 0.02 -0.79 -3.50 113.55 115.41 2kkv h SER 66 Ca 0.44 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2kkv h SER 66 Cb 0.25 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2kkv h SER 66 CO -0.19 1.36 0.00 0.61 -1.14 0.00 0.00 176.83 177.47 2kkv n GLY 67 N 0.73 -0.11 3.90 -3.77 0.00 0.51 -5.05 105.19 101.40 2kkv n GLY 67 Ca -0.07 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 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 0.00 -5.23 0.26 1.61 5.02 -1.26 -3.31 118.16 115.25 2kkv n LYS 68 Ca 0.00 0.58 0.18 0.00 -2.02 0.00 0.00 58.31 57.05 2kkv n LYS 68 Cb 0.00 -5.38 0.92 0.00 -0.02 0.00 0.00 35.03 30.55 2kkv n LYS 68 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 2kkv h HIS 69 N -2.02 0.00 0.01 2.13 2.07 -1.89 0.13 115.15 115.58 2kkv h HIS 69 Ca -0.59 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 56.73 2kkv h HIS 69 Cb 1.37 0.00 0.02 0.00 2.57 0.00 0.00 27.41 31.37 2kkv h HIS 69 CO 0.55 0.00 -0.79 0.22 -3.07 0.00 0.00 177.93 174.85 2kkv h ASP 70 N 0.00 0.68 0.04 3.10 3.58 -1.99 -3.13 116.42 118.69 2kkv h ASP 70 Ca 0.00 -0.76 -0.00 0.00 0.42 0.00 0.00 57.03 56.69 2kkv h ASP 70 Cb 0.05 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.89 2kkv h ASP 70 CO 0.00 1.35 -0.02 0.58 -2.88 0.00 0.00 179.24 178.27 2kkv h VAL 71 N 0.08 1.24 -0.08 2.25 2.07 -1.16 0.44 116.25 121.10 2kkv h VAL 71 Ca -0.10 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.54 2kkv h VAL 71 Cb 1.48 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 33.06 2kkv h VAL 71 CO 0.15 0.23 -0.11 0.00 0.02 0.00 0.00 177.57 177.87 2kkv h ALA 72 N 0.49 -0.05 -0.50 1.67 0.00 -1.34 0.75 119.26 120.28 2kkv h ALA 72 Ca -0.01 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kkv h ALA 72 Cb 0.41 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2kkv h ALA 72 CO 0.01 -0.57 0.31 0.37 0.00 0.00 0.00 179.25 179.36 2kkv h GLN 73 N -0.14 0.67 -0.55 0.00 5.75 -1.58 -1.50 115.11 117.77 2kkv h GLN 73 Ca 0.07 -0.06 0.07 0.00 -0.15 0.00 0.00 58.65 58.58 2kkv h GLN 73 Cb 0.24 -0.14 -0.06 0.00 1.07 0.00 0.00 27.48 28.58 2kkv h GLN 73 CO -0.16 0.48 0.22 -0.09 -2.65 0.00 0.00 178.83 176.63 2kkv h ARG 74 N 0.67 0.41 -0.37 1.69 9.65 -0.32 0.16 114.38 126.28 2kkv h ARG 74 Ca 0.18 -0.02 -0.12 0.00 -1.10 0.00 0.00 59.98 58.91 2kkv h ARG 74 Cb -0.03 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.45 2kkv h ARG 74 CO -0.04 0.27 -0.26 -0.07 2.80 0.00 0.00 179.97 182.68 2kkv h LEU 75 N 0.43 0.86 -0.68 3.80 -0.00 -0.51 -0.04 115.31 119.17 2kkv h LEU 75 Ca 0.26 -0.44 -0.12 0.00 -0.00 0.00 0.00 57.88 57.59 2kkv h LEU 75 Cb 0.26 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.67 2kkv h LEU 75 CO -0.24 1.11 -0.23 0.06 -0.00 0.00 0.00 178.44 179.14 2kkv h GLN 76 N 0.62 0.78 -0.92 1.13 3.07 -1.00 -2.09 115.11 116.70 2kkv h GLN 76 Ca 0.07 -0.32 -0.00 0.00 0.09 0.00 0.00 58.65 58.49 2kkv h GLN 76 Cb 0.83 -0.03 -0.04 0.00 0.08 0.00 0.00 27.48 28.31 2kkv h GLN 76 CO 0.07 0.94 0.56 0.37 0.09 0.00 0.00 178.83 180.85 2kkv h GLN 77 N 0.68 1.25 -0.66 0.06 4.15 -0.56 -2.38 115.11 117.65 2kkv h GLN 77 Ca 0.09 -0.11 0.06 0.00 0.77 0.00 0.00 58.65 59.46 2kkv h GLN 77 Cb 0.74 -0.26 -0.06 0.00 0.21 0.00 0.00 27.48 28.11 2kkv h GLN 77 CO 0.06 0.87 0.36 0.00 -1.93 0.00 0.00 178.83 178.19 2kkv h ARG 78 N 1.27 0.64 0.14 1.69 3.08 -0.40 -1.18 114.38 119.62 2kkv h ARG 78 Ca 0.33 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.35 2kkv h ARG 78 Cb -0.05 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 2kkv h ARG 78 CO -0.06 0.42 -0.15 0.28 -1.07 0.00 0.00 179.97 179.39 2kkv h VAL 79 N 0.66 0.66 -0.32 2.04 2.07 -0.89 0.24 116.25 120.71 2kkv h VAL 79 Ca 0.30 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.80 2kkv h VAL 79 Cb 0.21 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2kkv h VAL 79 CO -0.19 0.00 0.12 0.71 0.02 0.00 0.00 177.57 178.22 2kkv h THR 80 N -0.33 1.13 -0.16 2.57 1.35 -1.20 0.22 112.91 116.50 2kkv h THR 80 Ca 0.01 -0.43 -0.14 0.00 -0.55 0.00 0.00 66.41 65.30 2kkv h THR 80 Cb 0.32 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 2kkv h THR 80 CO -0.05 0.16 -0.44 0.00 -0.25 0.00 0.00 175.52 174.95 2kkv h ALA 81 N 1.68 0.26 -0.41 6.62 0.00 -0.75 -3.16 119.26 123.51 2kkv h ALA 81 Ca 0.11 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 2kkv h ALA 81 Cb 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2kkv h ALA 81 CO -0.01 0.39 0.05 0.82 0.00 0.00 0.00 179.25 180.50 2kkv h ILE 82 N 0.22 1.20 -0.41 0.00 2.04 0.04 -2.05 117.51 118.55 2kkv h ILE 82 Ca -0.01 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.11 2kkv h ILE 82 Cb 1.05 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 2kkv h ILE 82 CO 0.09 0.28 0.27 0.24 0.00 0.00 0.00 178.15 179.04 2kkv h MET 83 N 0.61 0.36 -0.17 2.37 2.86 -0.94 0.24 114.93 120.26 2kkv h MET 83 Ca 0.13 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 2kkv h MET 83 Cb 0.31 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 2kkv h MET 83 CO 0.01 0.24 -0.14 0.00 1.06 0.00 0.00 176.91 178.08 2kkv h ARG 84 N 0.37 0.39 0.00 1.72 3.08 -1.35 -2.69 114.38 115.90 2kkv h ARG 84 Ca 0.17 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 2kkv h ARG 84 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2kkv h ARG 84 CO -0.04 0.74 -0.45 1.88 -1.07 0.00 0.00 179.97 181.03 2kkv h TYR 85 N 0.04 0.00 0.00 3.04 0.05 -1.25 -1.95 116.97 116.90 2kkv h TYR 85 Ca 0.03 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.78 2kkv h TYR 85 Cb 0.65 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.39 2kkv h TYR 85 CO 0.08 0.45 -0.14 0.00 -1.05 0.00 0.00 178.16 177.49 2kkv h ALA 86 N 1.55 1.60 -0.00 3.88 0.00 -0.42 0.14 119.26 126.01 2kkv h ALA 86 Ca -0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2kkv h ALA 86 Cb 0.80 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.57 2kkv h ALA 86 CO 0.06 0.18 -0.35 0.28 0.00 0.00 0.00 179.25 179.42 2kkv h VAL 87 N 0.00 1.51 -0.71 0.00 2.07 -1.03 0.51 116.25 118.61 2kkv h VAL 87 Ca -0.00 -1.98 0.03 0.00 0.82 0.00 0.00 66.70 65.57 2kkv h VAL 87 Cb 0.28 2.71 -0.05 0.00 -1.52 0.00 0.00 31.29 32.72 2kkv h VAL 87 CO 0.02 0.55 0.44 -0.61 0.02 0.00 0.00 177.57 177.99 2kkv h GLN 88 N -0.38 0.83 -0.26 1.57 4.15 -0.84 -1.66 115.11 118.51 2kkv h GLN 88 Ca -0.04 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.33 2kkv h GLN 88 Cb 1.09 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.60 2kkv h GLN 88 CO 0.07 0.55 0.00 -1.71 -1.93 0.00 0.00 178.83 175.81 2kkv n ASN 89 N -4.67 2.00 -3.18 -0.69 2.85 0.45 -4.95 115.26 107.06 2kkv n ASN 89 Ca 0.08 -1.83 -0.06 0.00 -0.11 0.00 0.00 54.58 52.66 2kkv n ASN 89 Cb 0.10 -0.17 0.02 0.00 1.24 0.00 0.00 39.78 40.97 2kkv n ASN 89 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2kkv n ASP 90 N 0.55 -7.25 -0.06 1.20 2.03 -0.62 -4.99 116.55 107.42 2kkv n ASP 90 Ca 0.16 -0.32 -0.11 0.00 0.52 0.00 0.00 54.79 55.04 2kkv n ASP 90 Cb 0.36 -4.98 -0.04 0.00 -0.72 0.00 0.00 41.12 35.74 2kkv n ASP 90 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2kkv n TYR 91 N -2.27 0.00 -3.73 -0.67 4.01 0.18 -5.02 117.16 109.66 2kkv n TYR 91 Ca -0.04 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.50 2kkv n TYR 91 Cb 0.54 -0.42 -0.02 0.00 -0.31 0.00 0.00 39.34 39.14 2kkv n TYR 91 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2kkv s ILE 92 N -2.21 4.23 -0.20 -0.72 -4.36 -1.18 -4.70 121.20 112.05 2kkv s ILE 92 Ca -0.16 -1.13 -0.01 0.00 -0.26 0.00 0.00 60.65 59.09 2kkv s ILE 92 Cb 0.05 -3.45 -0.12 0.00 1.25 0.00 0.00 42.46 40.19 2kkv s ILE 92 CO 0.22 -0.22 -0.20 -0.67 0.24 0.00 0.00 174.94 174.31 2kkv n ASP 93 N -1.48 2.27 -4.56 4.36 2.03 -1.26 -4.86 116.55 113.05 2kkv n ASP 93 Ca -0.03 -0.04 -0.26 0.00 0.52 0.00 0.00 54.79 54.98 2kkv n ASP 93 Cb 0.58 -0.37 -0.11 0.00 -0.72 0.00 0.00 41.12 40.50 2kkv n ASP 93 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2kkv s SER 94 N -6.13 3.45 -0.71 1.67 0.15 -1.26 -5.10 113.70 105.77 2kkv s SER 94 Ca -0.28 -1.34 -0.06 0.00 0.70 0.00 0.00 55.95 54.97 2kkv s SER 94 Cb 0.08 -0.31 0.18 0.00 -1.71 0.00 0.00 66.02 64.26 2kkv s SER 94 CO 0.45 -0.45 0.56 0.20 1.20 0.00 0.00 173.24 175.20 2kkv s ASN 95 N -3.63 5.75 1.08 5.45 -0.87 -1.26 -5.06 114.94 116.41 2kkv s ASN 95 Ca 0.35 -2.85 -0.05 0.00 -1.57 0.00 0.00 52.86 48.73 2kkv s ASN 95 Cb 0.08 -1.97 0.08 0.00 -0.02 0.00 0.00 41.25 39.42 2kkv s ASN 95 CO 0.17 -0.42 0.24 -0.81 -2.57 0.00 0.00 177.10 173.71 2kkv n PRO 96 N 3.58 -1.95 -2.48 -0.60 -0.04 -1.26 -4.21 135.00 128.03 2kkv n PRO 96 Ca 0.10 -0.39 -0.21 0.00 -0.04 0.00 0.00 63.50 62.96 2kkv n PRO 96 Cb 0.41 -0.41 -0.00 0.00 -0.04 0.00 0.00 33.50 33.45 2kkv n PRO 96 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kkv n ALA 97 N -3.53 -0.67 -2.03 0.55 0.00 -1.01 -4.91 120.51 108.90 2kkv n ALA 97 Ca -0.05 0.18 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 2kkv n ALA 97 Cb 0.14 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.18 2kkv n ALA 97 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2kkv s SER 98 N -2.13 6.69 -1.82 0.00 0.01 -1.26 -2.56 113.70 112.64 2kkv s SER 98 Ca 0.04 2.41 0.00 0.00 1.31 0.00 0.00 55.95 59.71 2kkv s SER 98 Cb -0.02 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2kkv s SER 98 CO 0.05 -0.79 0.00 -0.67 0.41 0.00 0.00 173.24 172.23 2kkv n ASP 99 N 4.89 -5.32 0.19 2.44 2.03 -1.26 -4.53 116.55 114.99 2kkv n ASP 99 Ca 0.14 0.26 0.08 0.00 0.52 0.00 0.00 54.79 55.78 2kkv n ASP 99 Cb 0.41 -4.42 0.27 0.00 -0.72 0.00 0.00 41.12 36.66 2kkv n ASP 99 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kkv h MET 100 N 0.00 0.00 -3.84 -0.67 -0.00 -1.90 -3.35 114.93 105.17 2kkv h MET 100 Ca -0.41 0.00 -0.75 0.00 -0.00 0.00 0.00 59.70 58.54 2kkv h MET 100 Cb 1.27 0.00 -0.15 0.00 -0.00 0.00 0.00 31.60 32.71 2kkv h MET 100 CO 0.54 0.28 1.93 0.00 -0.00 0.00 0.00 176.91 179.67 2kkv n ALA 101 N -2.20 5.02 -3.00 -3.00 0.00 -1.26 -4.89 120.51 111.17 2kkv n ALA 101 Ca 0.01 -4.27 0.00 0.00 0.00 0.00 0.00 53.44 49.18 2kkv n ALA 101 Cb 0.55 -3.03 0.00 0.00 0.00 0.00 0.00 19.45 16.97 2kkv n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kkv n GLY 102 N 3.18 6.19 5.25 0.00 0.00 -1.26 -4.71 105.19 113.84 2kkv n GLY 102 Ca 0.40 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.73 2kkv n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kkv n ALA 103 N -3.00 0.00 0.17 4.61 0.00 -1.26 -2.96 120.51 118.07 2kkv n ALA 103 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2kkv n ALA 103 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 2kkv n ALA 103 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2kkv h LEU 104 N 0.00 0.00 -2.22 0.00 -0.00 -1.99 -3.18 115.31 107.92 2kkv h LEU 104 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2kkv h LEU 104 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2kkv h LEU 104 CO 0.00 0.08 0.00 -1.54 -0.00 0.00 0.00 178.44 176.98 2kkv n SER 105 N -2.98 3.33 -3.88 0.17 3.41 -1.15 -4.81 113.62 107.70 2kkv n SER 105 Ca 0.02 -1.98 -0.29 0.00 -0.26 0.00 0.00 58.87 56.36 2kkv n SER 105 Cb 0.57 -0.23 -0.16 0.00 -0.26 0.00 0.00 64.21 64.14 2kkv n SER 105 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2kkv s THR 106 N -1.55 1.24 0.37 6.66 -4.23 -1.20 -4.94 115.64 111.98 2kkv s THR 106 Ca 0.38 -1.00 -0.17 0.00 -1.18 0.00 0.00 61.69 59.72 2kkv s THR 106 Cb 0.22 -1.56 0.05 0.00 1.34 0.00 0.00 72.50 72.56 2kkv s THR 106 CO 0.31 -0.11 0.79 0.28 -0.54 0.00 0.00 174.62 175.36 2kkv s THR 107 N 1.53 0.00 -0.29 3.99 -1.32 -1.26 -4.60 115.64 113.69 2kkv s THR 107 Ca -0.04 -0.99 -0.07 0.00 -1.21 0.00 0.00 61.69 59.38 2kkv s THR 107 Cb -0.18 -2.76 0.01 0.00 -1.51 0.00 0.00 72.50 68.06 2kkv s THR 107 CO -0.07 0.00 0.20 1.17 -2.21 0.00 0.00 174.62 173.71 2kkv n LYS 108 N -0.52 -2.48 -0.08 7.08 3.00 -1.26 -5.00 118.16 118.90 2kkv n LYS 108 Ca -0.08 2.12 -0.10 0.00 -0.00 0.00 0.00 58.31 60.26 2kkv n LYS 108 Cb 0.60 -4.28 -0.04 0.00 0.00 0.00 0.00 35.03 31.31 2kkv n LYS 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kkv n ALA 109 N 0.51 0.55 -1.97 3.14 0.00 -1.26 -5.10 120.51 116.38 2kkv n ALA 109 Ca 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2kkv n ALA 109 Cb 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.57 2kkv n ALA 109 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2kkv n ARG 110 N -4.56 -5.24 -0.07 0.00 0.63 -1.26 -4.99 116.66 101.16 2kkv n ARG 110 Ca -0.15 3.74 -0.08 0.00 -0.92 0.00 0.00 57.85 60.45 2kkv n ARG 110 Cb 0.39 -4.00 -0.11 0.00 0.45 0.00 0.00 32.46 29.19 2kkv n ARG 110 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 2kkv n HIS 111 N 1.78 0.00 -3.86 -0.14 1.44 -1.26 -5.00 115.22 108.18 2kkv n HIS 111 Ca 0.00 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.60 2kkv n HIS 111 Cb 0.00 -0.70 -0.10 0.00 0.12 0.00 0.00 29.99 29.31 2kkv n HIS 111 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2kkv s TYR 112 N -2.35 -0.01 0.75 -1.40 2.02 -1.26 -5.17 117.35 109.94 2kkv s TYR 112 Ca -0.09 -0.02 -0.13 0.00 -0.37 0.00 0.00 57.07 56.47 2kkv s TYR 112 Cb 0.04 -0.02 0.17 0.00 -0.40 0.00 0.00 41.96 41.76 2kkv s TYR 112 CO 0.56 -0.26 0.95 -2.30 -1.57 0.00 0.00 175.55 172.94 2kkv n PRO 113 N 1.70 -1.21 -0.01 -1.71 -0.02 -1.26 -5.02 135.00 127.46 2kkv n PRO 113 Ca -0.21 -1.48 -0.01 0.00 -2.02 0.00 0.00 63.50 59.78 2kkv n PRO 113 Cb 0.56 -1.04 -0.02 0.00 -0.02 0.00 0.00 33.50 32.98 2kkv n PRO 113 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2kkv n LEU 114 N 0.00 0.00 -4.66 2.45 7.94 -1.26 -4.98 117.00 116.49 2kkv n LEU 114 Ca 0.12 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.64 2kkv n LEU 114 Cb 0.43 0.05 -0.08 0.00 0.53 0.00 0.00 43.42 44.35 2kkv n LEU 114 CO 0.31 0.05 0.06 -1.83 -1.11 0.00 0.00 177.39 174.87 2kkv s GLU 115 N -2.10 4.15 -0.83 1.96 1.03 -1.26 -5.03 118.70 116.62 2kkv s GLU 115 Ca -0.01 0.13 -0.09 0.00 0.03 0.00 0.00 54.97 55.03 2kkv s GLU 115 Cb 0.01 -3.54 0.21 0.00 -0.80 0.00 0.00 34.13 30.01 2kkv s GLU 115 CO 0.12 -0.04 0.74 -1.01 -1.33 0.00 0.00 175.26 173.73 2kkv s HIS 116 N 1.33 3.77 -0.06 4.83 3.76 -1.26 -5.04 115.29 122.62 2kkv s HIS 116 Ca 0.17 -2.44 -0.01 0.00 -0.15 0.00 0.00 55.06 52.63 2kkv s HIS 116 Cb -0.15 -3.58 -0.03 0.00 1.11 0.00 0.00 32.58 29.93 2kkv s HIS 116 CO 0.08 -0.91 0.02 -1.58 -0.85 0.00 0.00 174.74 171.49 2kkv s HIS 117 N -0.34 3.19 0.05 1.40 5.04 -1.26 -5.12 115.29 118.25 2kkv s HIS 117 Ca 0.21 0.20 0.06 0.00 -1.54 0.00 0.00 55.06 53.99 2kkv s HIS 117 Cb -0.12 -1.77 -0.02 0.00 0.04 0.00 0.00 32.58 30.70 2kkv s HIS 117 CO -0.08 0.49 -0.17 -3.38 -2.34 0.00 0.00 174.74 169.26 2kkv s HIS 118 N -0.96 1.49 0.44 3.88 -3.43 -1.26 -5.14 115.29 110.31 2kkv s HIS 118 Ca 0.16 -0.38 -0.17 0.00 -0.80 0.00 0.00 55.06 53.87 2kkv s HIS 118 Cb -0.11 -0.87 -0.09 0.00 -1.43 0.00 0.00 32.58 30.07 2kkv s HIS 118 CO 0.05 0.08 0.91 -1.01 -2.00 0.00 0.00 174.74 172.77 2kkv s HIS 119 N -0.90 3.39 -0.44 0.38 3.76 -1.26 -5.01 115.29 115.20 2kkv s HIS 119 Ca 0.04 1.44 -0.26 0.00 -0.15 0.00 0.00 55.06 56.13 2kkv s HIS 119 Cb -0.09 -2.74 0.02 0.00 1.11 0.00 0.00 32.58 30.89 2kkv s HIS 119 CO 0.02 -0.17 0.95 -1.58 -0.85 0.00 0.00 174.74 173.10 2kkv s HIS 120 N -2.33 2.95 0.00 1.40 2.46 -1.26 -5.36 115.29 113.15 2kkv s HIS 120 Ca 0.59 0.52 0.00 0.00 0.47 0.00 0.00 55.06 56.63 2kkv s HIS 120 Cb -0.10 -3.94 0.00 0.00 -0.13 0.00 0.00 32.58 28.42 2kkv s HIS 120 CO 0.22 -1.05 0.14 -2.39 -2.47 0.00 0.00 174.74 169.19