#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 3.50 -0.25 2.12 2.02 -1.26 -4.90 118.70 119.93 2kkv s GLU 2 Ca 0.00 -0.16 0.13 0.00 0.02 0.00 0.00 54.97 54.96 2kkv s GLU 2 Cb 0.00 -3.87 0.79 0.00 0.10 0.00 0.00 34.13 31.15 2kkv s GLU 2 CO 0.00 -0.84 1.74 0.09 0.02 0.00 0.00 175.26 176.28 2kkv n ASN 3 N 6.08 5.42 0.00 -0.19 5.03 -1.26 -3.87 115.26 126.47 2kkv n ASN 3 Ca -0.02 -3.01 0.00 0.00 0.87 0.00 0.00 54.58 52.42 2kkv n ASN 3 Cb 0.48 -0.69 0.00 0.00 -1.02 0.00 0.00 39.78 38.55 2kkv n ASN 3 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2kkv n SER 4 N 0.36 0.00 0.08 6.41 2.88 -1.26 -4.21 113.62 117.88 2kkv n SER 4 Ca 0.30 0.82 -0.22 0.00 -1.33 0.00 0.00 58.87 58.44 2kkv n SER 4 Cb 1.22 -0.38 -0.15 0.00 -0.75 0.00 0.00 64.21 64.16 2kkv n SER 4 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2kkv h GLY 5 N 0.00 0.44 -4.49 0.46 0.00 -2.03 -3.50 103.07 93.95 2kkv h GLY 5 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 47.33 46.20 2kkv h GLY 5 CO 0.00 0.99 -0.84 0.00 0.00 0.00 0.00 176.54 176.69 2kkv n ALA 6 N -2.81 -3.41 -0.72 3.60 0.00 -1.25 -4.84 120.51 111.08 2kkv n ALA 6 Ca -0.22 0.77 -0.06 0.00 0.00 0.00 0.00 53.44 53.92 2kkv n ALA 6 Cb 1.07 -1.51 -0.04 0.00 0.00 0.00 0.00 19.45 18.97 2kkv n ALA 6 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2kkv n TYR 7 N 0.71 0.24 -4.12 0.00 4.11 -1.26 -4.75 117.16 112.09 2kkv n TYR 7 Ca -0.09 -1.28 -0.34 0.00 -0.00 0.00 0.00 57.90 56.19 2kkv n TYR 7 Cb 0.14 -0.88 -0.07 0.00 -0.00 0.00 0.00 39.34 38.52 2kkv n TYR 7 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 2kkv s THR 8 N -0.09 4.80 0.32 -3.48 2.01 -1.26 -4.74 115.64 113.20 2kkv s THR 8 Ca 0.24 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.00 2kkv s THR 8 Cb 0.13 -3.14 0.27 0.00 0.01 0.00 0.00 72.50 69.78 2kkv s THR 8 CO -0.01 0.46 1.96 0.15 -0.69 0.00 0.00 174.62 176.49 2kkv h PHE 9 N 4.51 0.96 -0.23 4.92 3.04 -1.95 -2.97 116.94 125.23 2kkv h PHE 9 Ca -0.51 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.43 2kkv h PHE 9 Cb 1.19 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 39.38 2kkv h PHE 9 CO 0.66 0.56 -0.00 1.49 -2.02 0.00 0.00 178.31 179.00 2kkv h GLU 10 N 0.99 0.41 -0.85 1.11 4.81 -1.96 -2.22 114.58 116.88 2kkv h GLU 10 Ca 0.32 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2kkv h GLU 10 Cb 0.04 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 2kkv h GLU 10 CO -0.09 0.59 0.43 1.79 -0.73 0.00 0.00 179.01 181.00 2kkv h THR 11 N 0.18 1.25 -0.07 0.32 1.35 -1.84 0.19 112.91 114.30 2kkv h THR 11 Ca 0.07 -0.68 -0.20 0.00 -0.55 0.00 0.00 66.41 65.04 2kkv h THR 11 Cb 0.41 0.15 -0.00 0.00 -1.73 0.00 0.00 68.15 66.98 2kkv h THR 11 CO 0.01 0.30 -0.80 0.40 -0.25 0.00 0.00 175.52 175.18 2kkv h ILE 12 N 1.20 1.37 -0.07 6.82 2.04 -1.58 -3.10 117.51 124.18 2kkv h ILE 12 Ca 0.29 -2.20 -0.07 0.00 1.00 0.00 0.00 64.86 63.88 2kkv h ILE 12 Cb 0.08 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 2kkv h ILE 12 CO -0.04 0.67 -0.27 0.00 0.00 0.00 0.00 178.15 178.51 2kkv h ALA 13 N 0.82 1.42 -0.49 1.87 0.00 -0.70 -2.83 119.26 119.35 2kkv h ALA 13 Ca -0.05 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.64 2kkv h ALA 13 Cb 1.40 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 2kkv h ALA 13 CO 0.14 0.42 0.19 0.00 0.00 0.00 0.00 179.25 180.00 2kkv h ARG 14 N 0.12 0.37 0.33 0.00 3.08 -0.58 -2.77 114.38 114.93 2kkv h ARG 14 Ca 0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2kkv h ARG 14 Cb 0.54 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 2kkv h ARG 14 CO 0.04 0.25 -0.44 1.49 -1.07 0.00 0.00 179.97 180.23 2kkv h GLU 15 N 0.38 -0.79 -0.02 0.04 4.22 -1.56 0.57 114.58 117.43 2kkv h GLU 15 Ca 0.23 0.05 -0.20 0.00 0.08 0.00 0.00 59.36 59.52 2kkv h GLU 15 Cb 0.22 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2kkv h GLU 15 CO -0.22 -0.53 -0.85 0.11 -2.18 0.00 0.00 179.01 175.35 2kkv h TRP 16 N -0.82 0.42 0.00 0.92 5.08 -1.72 -3.25 115.95 116.57 2kkv h TRP 16 Ca -0.02 -0.22 -0.10 0.00 1.08 0.00 0.00 58.89 59.63 2kkv h TRP 16 Cb 0.76 -0.05 -0.01 0.00 -3.00 0.00 0.00 29.16 26.85 2kkv h TRP 16 CO -0.28 1.01 -0.50 1.25 -1.28 0.00 0.00 178.44 178.64 2kkv h HIS 17 N 0.17 0.00 0.00 0.12 2.76 -1.08 -2.91 115.15 114.21 2kkv h HIS 17 Ca -0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 2kkv h HIS 17 Cb 1.46 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.42 2kkv h HIS 17 CO 0.04 0.50 0.00 0.39 -1.30 0.00 0.00 177.93 177.56 2kkv n GLU 18 N -3.66 0.40 0.25 5.26 1.02 0.19 -0.98 120.64 123.13 2kkv n GLU 18 Ca -0.01 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 2kkv n GLU 18 Cb 0.57 -1.45 0.65 0.00 -0.02 0.00 0.00 31.44 31.18 2kkv n GLU 18 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2kkv h SER 19 N 0.00 0.00 -4.34 1.62 0.02 -1.70 -3.34 113.55 105.82 2kkv h SER 19 Ca 0.00 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.30 2kkv h SER 19 Cb 0.00 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.14 2kkv h SER 19 CO 0.00 0.15 -0.58 0.21 -1.14 0.00 0.00 176.83 175.47 2kkv s ASN 20 N -6.12 4.48 -0.12 3.07 2.47 -0.15 -5.06 114.94 113.50 2kkv s ASN 20 Ca -0.02 -2.99 -0.23 0.00 0.42 0.00 0.00 52.86 50.05 2kkv s ASN 20 Cb 0.12 -1.68 0.05 0.00 -1.45 0.00 0.00 41.25 38.30 2kkv s ASN 20 CO 0.60 -0.25 0.56 -0.54 -3.72 0.00 0.00 177.10 173.74 2kkv s LYS 21 N -0.26 0.81 -0.47 0.43 -0.14 -1.25 -5.02 119.74 113.83 2kkv s LYS 21 Ca 0.17 0.42 0.04 0.00 -1.36 0.00 0.00 55.97 55.24 2kkv s LYS 21 Cb -0.25 0.38 0.19 0.00 -1.68 0.00 0.00 37.83 36.48 2kkv s LYS 21 CO -0.01 -0.19 0.78 0.50 -0.76 0.00 0.00 175.35 175.68 2kkv s ARG 22 N -0.53 0.87 -1.26 1.68 6.06 -1.26 -5.01 118.95 119.49 2kkv s ARG 22 Ca -0.06 -0.77 -0.21 0.00 -2.50 0.00 0.00 55.73 52.19 2kkv s ARG 22 Cb -0.03 -0.02 0.02 0.00 0.06 0.00 0.00 34.95 34.98 2kkv s ARG 22 CO 0.05 -1.10 0.60 0.91 -2.50 0.00 0.00 175.30 173.26 2kkv n TRP 23 N 3.15 -1.59 -0.82 5.12 5.03 -1.26 -4.88 117.44 122.20 2kkv n TRP 23 Ca 0.15 0.37 0.08 0.00 3.03 0.00 0.00 57.50 61.13 2kkv n TRP 23 Cb 0.58 -3.16 0.18 0.00 -1.03 0.00 0.00 31.31 27.88 2kkv n TRP 23 CO 0.00 0.00 0.00 -1.13 -0.03 0.00 0.00 177.69 176.53 2kkv n SER 24 N -2.55 3.02 -0.12 -0.99 3.41 -1.26 -4.72 113.62 110.40 2kkv n SER 24 Ca -0.16 -2.82 -0.13 0.00 -0.26 0.00 0.00 58.87 55.50 2kkv n SER 24 Cb 0.61 -0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 64.13 2kkv n SER 24 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2kkv h GLU 25 N 0.98 0.94 -0.14 4.33 4.57 -1.99 -3.05 114.58 120.23 2kkv h GLU 25 Ca 0.00 -0.48 0.03 0.00 -1.18 0.00 0.00 59.36 57.73 2kkv h GLU 25 Cb 1.10 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.67 2kkv h GLU 25 CO 0.09 1.14 -0.04 0.22 -1.18 0.00 0.00 179.01 179.24 2kkv h ASP 26 N 0.76 -0.14 0.97 1.04 3.58 -2.01 -1.59 116.42 119.03 2kkv h ASP 26 Ca 0.07 0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.45 2kkv h ASP 26 Cb 0.95 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 42.08 2kkv h ASP 26 CO 0.09 -0.05 -0.51 1.12 -2.88 0.00 0.00 179.24 177.01 2kkv h HIS 27 N -0.01 0.00 0.00 0.28 2.07 -1.94 -3.05 115.15 112.50 2kkv h HIS 27 Ca 0.07 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.53 2kkv h HIS 27 Cb 0.11 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.08 2kkv h HIS 27 CO -0.18 0.51 -0.27 0.07 -3.07 0.00 0.00 177.93 174.99 2kkv h ARG 28 N 0.00 0.00 0.00 5.12 -0.00 -1.25 -0.73 114.38 117.52 2kkv h ARG 28 Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 59.89 2kkv h ARG 28 Cb 1.13 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.09 2kkv h ARG 28 CO 0.07 0.27 -0.41 0.77 -0.00 0.00 0.00 179.97 180.66 2kkv h SER 29 N 0.00 0.00 0.03 0.08 0.02 -1.20 -1.69 113.55 110.79 2kkv h SER 29 Ca -0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 2kkv h SER 29 Cb 0.84 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.38 2kkv h SER 29 CO 0.04 0.41 -0.42 0.03 -1.14 0.00 0.00 176.83 175.74 2kkv h ARG 30 N 0.00 0.06 0.00 3.45 3.08 -1.43 -3.31 114.38 116.23 2kkv h ARG 30 Ca -0.00 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2kkv h ARG 30 Cb 0.83 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.92 2kkv h ARG 30 CO 0.05 1.05 0.00 1.55 -1.07 0.00 0.00 179.97 181.55 2kkv n VAL 31 N -4.47 0.99 -0.24 2.04 3.14 -0.35 -3.08 118.33 116.36 2kkv n VAL 31 Ca -0.15 0.32 0.26 0.00 -2.96 0.00 0.00 64.34 61.80 2kkv n VAL 31 Cb 0.59 -1.22 0.63 0.00 -1.06 0.00 0.00 33.84 32.78 2kkv n VAL 31 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 2kkv h LEU 32 N 0.00 0.20 -0.71 6.55 5.85 -1.39 0.27 115.31 126.06 2kkv h LEU 32 Ca 0.00 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.82 2kkv h LEU 32 Cb 0.26 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 2kkv h LEU 32 CO 0.00 0.06 0.39 0.03 -0.34 0.00 0.00 178.44 178.58 2kkv h ARG 33 N 0.19 0.67 -0.44 1.25 3.08 -1.79 0.20 114.38 117.53 2kkv h ARG 33 Ca 0.48 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 60.36 2kkv h ARG 33 Cb 1.58 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.46 2kkv h ARG 33 CO -0.11 0.44 -0.25 -0.92 -1.07 0.00 0.00 179.97 178.07 2kkv h TYR 34 N 0.69 1.10 0.13 3.04 3.20 -0.76 -2.60 116.97 121.78 2kkv h TYR 34 Ca 0.33 -0.28 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2kkv h TYR 34 Cb 0.27 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.29 2kkv h TYR 34 CO -0.08 1.10 -0.06 1.25 -1.64 0.00 0.00 178.16 178.72 2kkv h LEU 35 N 0.79 -0.15 -0.82 2.82 7.12 -0.67 -2.37 115.31 122.02 2kkv h LEU 35 Ca 0.10 -0.08 0.02 0.00 0.13 0.00 0.00 57.88 58.05 2kkv h LEU 35 Cb 0.83 0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 40.95 2kkv h LEU 35 CO 0.07 -0.02 0.53 -0.33 -0.13 0.00 0.00 178.44 178.56 2kkv h GLU 36 N -0.28 1.03 -0.21 1.25 5.08 -0.65 0.03 114.58 120.83 2kkv h GLU 36 Ca -0.02 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.12 2kkv h GLU 36 Cb 0.22 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2kkv h GLU 36 CO 0.03 0.68 -0.51 1.25 -1.00 0.00 0.00 179.01 179.46 2kkv h LEU 37 N 1.06 0.66 0.00 1.33 5.85 -1.34 -1.11 115.31 121.77 2kkv h LEU 37 Ca 0.31 -0.34 -0.23 0.00 0.84 0.00 0.00 57.88 58.46 2kkv h LEU 37 Cb -0.06 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 2kkv h LEU 37 CO -0.09 1.06 -1.98 -1.22 -0.34 0.00 0.00 178.44 175.86 2kkv n TYR 38 N -3.98 0.36 -0.04 1.25 4.02 -0.90 -3.65 117.16 114.22 2kkv n TYR 38 Ca -0.03 0.12 -0.11 0.00 -0.01 0.00 0.00 57.90 57.88 2kkv n TYR 38 Cb 0.59 -0.94 -0.14 0.00 -0.02 0.00 0.00 39.34 38.82 2kkv n TYR 38 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 2kkv n ILE 39 N -2.72 1.59 -3.10 -0.72 2.08 -0.01 -4.56 119.36 111.91 2kkv n ILE 39 Ca -0.19 -0.78 -0.24 0.00 0.56 0.00 0.00 62.75 62.10 2kkv n ILE 39 Cb 0.95 -1.05 -0.04 0.00 -0.75 0.00 0.00 39.64 38.75 2kkv n ILE 39 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 2kkv n PHE 40 N -3.06 2.25 -0.05 1.39 3.72 -0.42 -4.88 117.46 116.41 2kkv n PHE 40 Ca -0.23 -3.91 -0.02 0.00 -0.05 0.00 0.00 57.45 53.24 2kkv n PHE 40 Cb 1.07 -0.46 -0.02 0.00 -0.94 0.00 0.00 39.48 39.13 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 3.21 0.00 -0.01 -1.08 0.14 -1.67 -3.34 132.00 129.24 2kkv h PRO 41 Ca 0.12 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.26 2kkv h PRO 41 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.86 2kkv h PRO 41 CO 0.68 0.14 -0.17 1.58 0.14 0.00 0.00 178.00 180.36 2kkv n HIS 42 N -4.75 0.00 -0.54 1.56 -0.00 -1.26 -4.64 115.22 105.58 2kkv n HIS 42 Ca -0.02 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.19 2kkv n HIS 42 Cb 0.07 0.00 0.04 0.00 -0.12 0.00 0.00 29.99 29.98 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 0.22 1.07 0.67 3.57 -5.35 -1.26 -4.72 119.36 113.55 2kkv n ILE 43 Ca 0.07 -1.18 0.09 0.00 -0.27 0.00 0.00 62.75 61.46 2kkv n ILE 43 Cb 0.32 0.35 0.40 0.00 -1.74 0.00 0.00 39.64 38.97 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 -0.68 -1.08 0.71 3.28 0.00 -1.25 -2.67 105.19 103.50 2kkv n GLY 44 Ca 0.05 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.07 2kkv n GLY 44 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kkv n SER 45 N -1.46 2.06 -4.89 1.61 3.41 -1.26 -4.91 113.62 108.17 2kkv n SER 45 Ca 0.05 -1.94 -0.31 0.00 -0.26 0.00 0.00 58.87 56.42 2kkv n SER 45 Cb 0.20 -0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 63.88 2kkv n SER 45 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2kkv s SER 46 N -1.14 6.51 0.48 4.04 0.01 -1.09 -5.09 113.70 117.43 2kkv s SER 46 Ca 0.28 0.70 -0.05 0.00 1.31 0.00 0.00 55.95 58.20 2kkv s SER 46 Cb 0.15 -2.14 -0.03 0.00 0.21 0.00 0.00 66.02 64.21 2kkv s SER 46 CO 0.20 -0.05 0.78 -0.62 0.41 0.00 0.00 173.24 173.96 2kkv s ASP 47 N -2.64 6.17 0.04 2.44 -1.08 -1.26 -5.00 116.67 115.33 2kkv s ASP 47 Ca 0.43 0.84 0.17 0.00 -0.52 0.00 0.00 52.55 53.47 2kkv s ASP 47 Cb -0.11 -2.14 -0.15 0.00 -1.46 0.00 0.00 42.92 39.05 2kkv s ASP 47 CO 0.25 -0.62 0.76 0.00 0.52 0.00 0.00 175.17 176.09 2kkv n ILE 48 N -2.25 1.18 1.57 4.11 3.06 -1.26 -4.01 119.36 121.76 2kkv n ILE 48 Ca 0.01 -0.70 0.14 0.00 -2.50 0.00 0.00 62.75 59.70 2kkv n ILE 48 Cb 0.56 -0.72 0.60 0.00 0.54 0.00 0.00 39.64 40.61 2kkv n ILE 48 CO 0.00 0.00 0.00 -2.11 -2.50 0.00 0.00 176.55 171.94 2kkv n ARG 49 N -2.87 1.44 -3.19 9.51 1.85 -1.26 -4.13 116.66 118.00 2kkv n ARG 49 Ca -0.11 -0.72 -0.20 0.00 -1.00 0.00 0.00 57.85 55.83 2kkv n ARG 49 Cb 0.86 -1.49 -0.07 0.00 -1.05 0.00 0.00 32.46 30.72 2kkv n ARG 49 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2kkv s GLN 50 N -2.06 0.95 0.47 2.89 2.00 -1.26 -3.54 119.66 119.11 2kkv s GLN 50 Ca 0.38 -1.78 -0.20 0.00 -2.00 0.00 0.00 55.36 51.76 2kkv s GLN 50 Cb 0.21 -0.99 -0.09 0.00 0.80 0.00 0.00 33.01 32.94 2kkv s GLN 50 CO 0.36 -1.37 0.98 -1.17 -0.50 0.00 0.00 175.29 173.59 2kkv s LEU 51 N 0.32 3.84 0.56 3.68 2.96 -1.26 -4.58 118.68 124.21 2kkv s LEU 51 Ca 0.32 1.74 0.06 0.00 -0.22 0.00 0.00 54.13 56.03 2kkv s LEU 51 Cb 0.03 -4.54 0.07 0.00 0.50 0.00 0.00 46.19 42.25 2kkv s LEU 51 CO -0.15 -0.55 0.78 -0.54 -1.32 0.00 0.00 176.35 174.57 2kkv s LYS 52 N -3.37 2.33 0.00 1.98 1.02 -1.26 -4.82 119.74 115.62 2kkv s LYS 52 Ca 0.63 -1.34 0.00 0.00 0.02 0.00 0.00 55.97 55.28 2kkv s LYS 52 Cb -0.11 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 2kkv s LYS 52 CO 0.19 -0.82 0.00 2.41 -0.92 0.00 0.00 175.35 176.21 2kkv n THR 53 N -2.28 0.00 0.56 2.17 -1.04 -1.26 -4.46 114.28 107.96 2kkv n THR 53 Ca 0.13 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.16 2kkv n THR 53 Cb 0.61 -1.20 0.14 0.00 -1.82 0.00 0.00 70.33 68.05 2kkv n THR 53 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2kkv n SER 54 N -1.14 0.00 0.24 8.00 7.64 -1.26 -1.42 113.62 125.69 2kkv n SER 54 Ca 0.00 -0.41 0.08 0.00 1.01 0.00 0.00 58.87 59.56 2kkv n SER 54 Cb 0.00 0.00 0.61 0.00 -1.01 0.00 0.00 64.21 63.81 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 0.00 0.00 1.43 -0.00 -1.97 -1.46 115.15 113.14 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 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2kkv h HIS 55 CO 0.00 0.14 0.00 1.25 -0.00 0.00 0.00 177.93 179.32 2kkv h LEU 56 N 0.00 0.00 0.00 2.43 5.85 -1.54 -2.89 115.31 119.16 2kkv h LEU 56 Ca -0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 2kkv h LEU 56 Cb 0.29 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2kkv h LEU 56 CO 0.02 0.00 -0.30 0.25 -0.34 0.00 0.00 178.44 178.07 2kkv h LEU 57 N 0.00 0.00 -0.42 2.25 5.85 -1.49 -3.37 115.31 118.13 2kkv h LEU 57 Ca 0.00 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.81 2kkv h LEU 57 Cb 0.26 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.20 2kkv h LEU 57 CO 0.00 0.27 -0.19 0.00 -0.34 0.00 0.00 178.44 178.17 2kkv h ALA 58 N 1.73 0.12 -0.86 1.25 0.00 -1.64 -1.15 119.26 118.71 2kkv h ALA 58 Ca -0.01 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2kkv h ALA 58 Cb 1.21 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 2kkv h ALA 58 CO 0.03 -0.55 0.57 -1.35 0.00 0.00 0.00 179.25 177.95 2kkv h PRO 59 N -0.11 1.09 0.00 0.00 0.11 -1.83 -1.93 132.00 129.33 2kkv h PRO 59 Ca 0.20 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.20 2kkv h PRO 59 Cb 0.43 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 2kkv h PRO 59 CO -0.49 0.72 -0.24 0.82 -0.21 0.00 0.00 178.00 178.60 2kkv h ILE 60 N 1.13 0.98 0.00 4.15 5.03 -1.46 -1.80 117.51 125.53 2kkv h ILE 60 Ca 0.33 -0.90 -0.09 0.00 -0.12 0.00 0.00 64.86 64.08 2kkv h ILE 60 Cb -0.06 1.51 -0.01 0.00 -3.03 0.00 0.00 36.82 35.23 2kkv h ILE 60 CO -0.09 0.24 -0.45 0.11 -0.68 0.00 0.00 178.15 177.29 2kkv h LYS 61 N 0.00 0.00 0.00 2.37 1.79 -0.59 -0.84 116.57 119.30 2kkv h LYS 61 Ca -0.00 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 2kkv h LYS 61 Cb 0.49 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 2kkv h LYS 61 CO 0.03 0.45 -0.53 1.49 -1.08 0.00 0.00 179.45 179.81 2kkv h GLU 62 N 0.00 0.00 0.02 3.15 4.81 -1.22 -2.58 114.58 118.76 2kkv h GLU 62 Ca -0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 2kkv h GLU 62 Cb 0.81 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.20 2kkv h GLU 62 CO 0.06 0.53 -0.34 0.28 -0.73 0.00 0.00 179.01 178.81 2kkv h VAL 63 N 0.00 1.56 -0.40 0.32 2.07 -1.07 -3.31 116.25 115.42 2kkv h VAL 63 Ca -0.01 -2.10 -0.05 0.00 0.82 0.00 0.00 66.70 65.36 2kkv h VAL 63 Cb 0.96 2.90 -0.02 0.00 -1.52 0.00 0.00 31.29 33.61 2kkv h VAL 63 CO 0.07 0.58 0.05 -2.24 0.02 0.00 0.00 177.57 176.05 2kkv h ASP 64 N -0.50 0.57 0.32 0.57 3.04 -1.20 -1.62 116.42 117.60 2kkv h ASP 64 Ca -0.05 -0.10 -0.01 0.00 -3.24 0.00 0.00 57.03 53.63 2kkv h ASP 64 Cb 1.14 -0.15 -0.00 0.00 -1.04 0.00 0.00 39.33 39.28 2kkv h ASP 64 CO 0.07 0.61 -0.03 0.74 -2.04 0.00 0.00 179.24 178.59 2kkv h THR 65 N 0.59 0.18 0.00 1.15 2.02 -1.56 -0.48 112.91 114.82 2kkv h THR 65 Ca 0.13 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2kkv h THR 65 Cb 0.30 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2kkv h THR 65 CO 0.00 0.03 0.00 -1.20 0.37 0.00 0.00 175.52 174.72 2kkv n SER 66 N -3.29 0.00 0.00 4.18 7.64 -0.61 -4.89 113.62 116.66 2kkv n SER 66 Ca -0.02 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.30 2kkv n SER 66 Cb 0.16 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 2kkv n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kkv n GLY 67 N 0.92 4.18 3.48 0.23 0.00 -0.19 -5.04 105.19 108.76 2kkv n GLY 67 Ca 0.06 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 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 3.21 -0.03 1.61 4.01 -1.22 -4.74 118.16 120.99 2kkv n LYS 68 Ca 0.00 -3.33 -0.14 0.00 -0.51 0.00 0.00 58.31 54.33 2kkv n LYS 68 Cb 0.00 -3.39 -0.11 0.00 -0.51 0.00 0.00 35.03 31.02 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 7.33 0.11 -0.20 2.13 2.76 -1.87 -3.28 115.15 122.12 2kkv h HIS 69 Ca 0.44 -0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 58.49 2kkv h HIS 69 Cb 0.85 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.78 2kkv h HIS 69 CO 1.37 0.74 -0.15 -0.44 -1.30 0.00 0.00 177.93 178.15 2kkv h ASP 70 N -0.55 0.49 -0.38 3.26 5.19 -1.93 -2.99 116.42 119.50 2kkv h ASP 70 Ca -0.01 -0.45 -0.00 0.00 -0.62 0.00 0.00 57.03 55.96 2kkv h ASP 70 Cb 0.75 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 40.11 2kkv h ASP 70 CO 0.02 0.83 0.24 1.62 -3.12 0.00 0.00 179.24 178.82 2kkv h VAL 71 N 0.15 1.11 -0.66 -1.35 3.04 -1.97 -0.42 116.25 116.14 2kkv h VAL 71 Ca 0.04 -0.24 -0.02 0.00 -1.01 0.00 0.00 66.70 65.48 2kkv h VAL 71 Cb 0.67 0.56 -0.03 0.00 -2.01 0.00 0.00 31.29 30.48 2kkv h VAL 71 CO 0.04 0.11 0.36 0.00 -1.01 0.00 0.00 177.57 177.07 2kkv h ALA 72 N 1.73 0.85 -0.35 3.17 0.00 -1.58 0.19 119.26 123.28 2kkv h ALA 72 Ca 0.14 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2kkv h ALA 72 Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2kkv h ALA 72 CO -0.03 0.38 0.04 1.96 0.00 0.00 0.00 179.25 181.60 2kkv h GLN 73 N 0.91 0.59 -0.85 0.00 1.08 -1.17 0.13 115.11 115.80 2kkv h GLN 73 Ca 0.23 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 2kkv h GLN 73 Cb 0.06 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 2kkv h GLN 73 CO -0.04 0.68 0.45 -0.09 -0.95 0.00 0.00 178.83 178.89 2kkv h ARG 74 N 0.42 1.18 -0.04 1.46 1.12 -0.75 -2.51 114.38 115.26 2kkv h ARG 74 Ca 0.10 -0.14 -0.09 0.00 -1.11 0.00 0.00 59.98 58.74 2kkv h ARG 74 Cb 0.39 -0.23 0.00 0.00 -0.01 0.00 0.00 29.97 30.12 2kkv h ARG 74 CO 0.01 0.87 -0.32 -0.07 -3.11 0.00 0.00 179.97 177.36 2kkv h LEU 75 N 1.19 0.35 -1.29 3.80 4.07 -0.47 -3.33 115.31 119.62 2kkv h LEU 75 Ca 0.30 -0.69 -0.01 0.00 0.08 0.00 0.00 57.88 57.56 2kkv h LEU 75 Cb 0.04 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.65 2kkv h LEU 75 CO -0.05 0.98 0.31 0.06 -1.08 0.00 0.00 178.44 178.66 2kkv h GLN 76 N -0.26 0.79 -0.02 1.13 3.07 -0.65 -2.40 115.11 116.77 2kkv h GLN 76 Ca -0.03 -0.08 0.01 0.00 0.09 0.00 0.00 58.65 58.64 2kkv h GLN 76 Cb 1.00 -0.16 -0.00 0.00 0.08 0.00 0.00 27.48 28.39 2kkv h GLN 76 CO 0.06 0.59 0.39 0.37 0.09 0.00 0.00 178.83 180.33 2kkv h GLN 77 N 0.80 0.00 -0.44 0.06 4.15 -1.56 -1.67 115.11 116.44 2kkv h GLN 77 Ca 0.20 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.68 2kkv h GLN 77 Cb 0.03 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 2kkv h GLN 77 CO -0.03 0.00 0.30 0.07 -1.93 0.00 0.00 178.83 177.23 2kkv h ARG 78 N 0.00 0.36 -0.58 1.69 0.11 -1.63 -2.12 114.38 112.21 2kkv h ARG 78 Ca 0.01 -0.02 0.01 0.00 0.10 0.00 0.00 59.98 60.08 2kkv h ARG 78 Cb 0.79 -0.08 -0.03 0.00 1.11 0.00 0.00 29.97 31.76 2kkv h ARG 78 CO -0.00 0.24 0.39 -0.39 0.10 0.00 0.00 179.97 180.31 2kkv h VAL 79 N 0.37 1.14 -0.31 0.08 -1.51 -1.54 0.11 116.25 114.59 2kkv h VAL 79 Ca 0.19 -0.27 -0.14 0.00 -1.23 0.00 0.00 66.70 65.25 2kkv h VAL 79 Cb 0.28 0.29 -0.01 0.00 -2.13 0.00 0.00 31.29 29.73 2kkv h VAL 79 CO -0.05 0.14 -0.37 0.74 -1.23 0.00 0.00 177.57 176.81 2kkv h THR 80 N 0.78 1.29 -0.37 7.19 2.02 -1.60 -1.38 112.91 120.83 2kkv h THR 80 Ca 0.22 -1.53 -0.14 0.00 0.77 0.00 0.00 66.41 65.73 2kkv h THR 80 Cb -0.08 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 2kkv h THR 80 CO -0.05 0.50 -0.31 0.00 0.37 0.00 0.00 175.52 176.03 2kkv h ALA 81 N 0.99 0.75 -0.03 6.16 0.00 -1.23 -1.42 119.26 124.48 2kkv h ALA 81 Ca 0.06 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.56 2kkv h ALA 81 Cb 0.90 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2kkv h ALA 81 CO 0.08 0.66 -0.04 0.82 0.00 0.00 0.00 179.25 180.77 2kkv h ILE 82 N 0.69 0.88 -0.91 0.00 1.08 -0.63 -2.02 117.51 116.60 2kkv h ILE 82 Ca 0.08 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.55 2kkv h ILE 82 Cb 0.86 0.88 -0.05 0.00 -3.07 0.00 0.00 36.82 35.44 2kkv h ILE 82 CO 0.08 0.00 0.60 0.24 -0.69 0.00 0.00 178.15 178.38 2kkv h MET 83 N -0.06 1.21 -0.32 2.37 2.86 -1.10 0.27 114.93 120.16 2kkv h MET 83 Ca 0.03 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2kkv h MET 83 Cb 0.10 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 2kkv h MET 83 CO -0.06 0.80 0.19 -0.09 1.06 0.00 0.00 176.91 178.81 2kkv h ARG 84 N 1.24 0.45 -0.16 1.72 2.43 -0.97 -0.42 114.38 118.66 2kkv h ARG 84 Ca 0.33 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 59.26 2kkv h ARG 84 Cb -0.14 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.33 2kkv h ARG 84 CO -0.07 0.36 -0.68 -0.92 -1.51 0.00 0.00 179.97 177.15 2kkv h TYR 85 N 0.41 0.98 -0.69 2.20 3.20 -0.92 -2.78 116.97 119.38 2kkv h TYR 85 Ca 0.12 -0.42 -0.04 0.00 3.14 0.00 0.00 58.73 61.53 2kkv h TYR 85 Cb 0.03 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 2kkv h TYR 85 CO -0.04 1.24 0.29 0.00 -1.64 0.00 0.00 178.16 178.01 2kkv h ALA 86 N 0.54 1.21 -0.04 1.82 0.00 -0.32 -1.56 119.26 120.90 2kkv h ALA 86 Ca -0.04 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 2kkv h ALA 86 Cb 1.31 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2kkv h ALA 86 CO 0.14 0.58 -0.61 -0.24 0.00 0.00 0.00 179.25 179.12 2kkv h VAL 87 N 0.99 1.41 -0.01 0.00 3.04 -1.12 0.19 116.25 120.75 2kkv h VAL 87 Ca 0.23 -2.04 -0.08 0.00 -1.01 0.00 0.00 66.70 63.81 2kkv h VAL 87 Cb 0.17 2.06 -0.01 0.00 -2.01 0.00 0.00 31.29 31.50 2kkv h VAL 87 CO -0.02 0.59 -0.37 -0.61 -1.01 0.00 0.00 177.57 176.15 2kkv h GLN 88 N 0.11 0.01 -0.67 4.17 -0.00 -1.01 -0.93 115.11 116.79 2kkv h GLN 88 Ca -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 2kkv h GLN 88 Cb 1.11 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.59 2kkv h GLN 88 CO 0.09 0.38 0.00 0.09 0.00 0.00 0.00 178.83 179.39 2kkv n ASN 89 N -4.09 4.18 -2.16 -0.69 4.13 -0.78 -4.94 115.26 110.90 2kkv n ASN 89 Ca -0.02 -2.25 -0.19 0.00 1.68 0.00 0.00 54.58 53.80 2kkv n ASN 89 Cb 0.41 -0.52 -0.01 0.00 -1.54 0.00 0.00 39.78 38.12 2kkv n ASN 89 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2kkv n ASP 90 N 1.24 -5.42 -0.08 6.41 8.00 -0.36 -4.91 116.55 121.44 2kkv n ASP 90 Ca 0.24 -0.03 -0.20 0.00 0.71 0.00 0.00 54.79 55.51 2kkv n ASP 90 Cb 0.74 -4.47 -0.12 0.00 -0.02 0.00 0.00 41.12 37.25 2kkv n ASP 90 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2kkv h TYR 91 N -0.05 0.07 -3.40 1.24 0.05 -0.85 -3.48 116.97 110.54 2kkv h TYR 91 Ca -0.45 -0.05 -0.47 0.00 0.05 0.00 0.00 58.73 57.81 2kkv h TYR 91 Cb 1.33 -0.00 0.04 0.00 1.01 0.00 0.00 36.73 39.11 2kkv h TYR 91 CO 0.50 1.37 0.09 0.96 -1.05 0.00 0.00 178.16 180.03 2kkv s ILE 92 N -2.34 3.97 -0.10 -2.88 -4.36 -1.20 -4.91 121.20 109.37 2kkv s ILE 92 Ca -0.25 -0.10 -0.03 0.00 -0.26 0.00 0.00 60.65 60.01 2kkv s ILE 92 Cb 0.03 -3.53 -0.03 0.00 1.25 0.00 0.00 42.46 40.18 2kkv s ILE 92 CO 0.65 -0.50 0.09 -0.78 0.24 0.00 0.00 174.94 174.64 2kkv h ASP 93 N 0.05 -0.01 -3.83 4.36 3.58 -1.93 -3.46 116.42 115.18 2kkv h ASP 93 Ca -0.46 -0.10 -0.46 0.00 0.42 0.00 0.00 57.03 56.43 2kkv h ASP 93 Cb 1.25 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.16 2kkv h ASP 93 CO 0.60 0.54 -0.57 -0.94 -2.88 0.00 0.00 179.24 175.99 2kkv s SER 94 N -5.60 2.08 -0.71 2.28 1.04 -1.26 -5.11 113.70 106.41 2kkv s SER 94 Ca -0.02 -1.52 -0.04 0.00 0.48 0.00 0.00 55.95 54.85 2kkv s SER 94 Cb -0.00 0.27 0.18 0.00 0.10 0.00 0.00 66.02 66.57 2kkv s SER 94 CO 0.07 -0.80 0.56 0.20 0.98 0.00 0.00 173.24 174.24 2kkv s ASN 95 N -3.46 5.58 0.67 7.02 -0.87 -1.26 -4.91 114.94 117.70 2kkv s ASN 95 Ca 0.33 -3.03 -0.01 0.00 -1.57 0.00 0.00 52.86 48.57 2kkv s ASN 95 Cb 0.06 -1.91 0.02 0.00 -0.02 0.00 0.00 41.25 39.40 2kkv s ASN 95 CO 0.15 -0.35 0.16 -0.81 -2.57 0.00 0.00 177.10 173.68 2kkv n PRO 96 N 3.28 0.23 -0.58 -0.60 -0.04 -1.26 -4.53 135.00 131.50 2kkv n PRO 96 Ca 0.12 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 2kkv n PRO 96 Cb 0.39 -0.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.72 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 -3.04 0.00 0.36 0.55 0.00 -1.26 -4.78 120.51 112.34 2kkv n ALA 97 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.56 2kkv n ALA 97 Cb 0.08 -0.40 0.54 0.00 0.00 0.00 0.00 19.45 19.66 2kkv n ALA 97 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2kkv h SER 98 N 0.00 0.00 0.00 0.00 0.02 -1.97 -2.60 113.55 109.00 2kkv h SER 98 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kkv h SER 98 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2kkv h SER 98 CO 0.00 0.00 -0.03 -0.67 -1.14 0.00 0.00 176.83 174.99 2kkv n ASP 99 N -2.62 1.95 0.11 3.07 2.03 -1.26 -4.70 116.55 115.13 2kkv n ASP 99 Ca 0.02 -2.44 -0.03 0.00 0.52 0.00 0.00 54.79 52.86 2kkv n ASP 99 Cb 0.30 -0.20 0.18 0.00 -0.72 0.00 0.00 41.12 40.67 2kkv n ASP 99 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 2kkv h MET 100 N 0.00 0.15 -5.57 -0.67 4.05 -1.84 -3.43 114.93 107.62 2kkv h MET 100 Ca 0.00 -0.09 -0.62 0.00 -0.28 0.00 0.00 59.70 58.71 2kkv h MET 100 Cb 0.80 0.01 -0.31 0.00 -0.80 0.00 0.00 31.60 31.29 2kkv h MET 100 CO 0.00 0.66 -0.86 0.00 0.23 0.00 0.00 176.91 176.94 2kkv s ALA 101 N -3.83 1.82 0.00 0.39 0.00 -1.26 -4.92 121.76 113.96 2kkv s ALA 101 Ca -0.03 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2kkv s ALA 101 Cb 0.13 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.65 2kkv s ALA 101 CO 0.78 0.33 0.00 0.41 0.00 0.00 0.00 175.76 177.28 2kkv n GLY 102 N 3.11 3.30 3.58 0.00 0.00 -1.26 -5.05 105.19 108.86 2kkv n GLY 102 Ca -0.18 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 2kkv n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kkv s ALA 103 N -1.00 2.67 0.00 4.61 0.00 -1.26 -4.13 121.76 122.65 2kkv s ALA 103 Ca 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 51.96 49.44 2kkv s ALA 103 Cb 0.00 -4.64 0.00 0.00 0.00 0.00 0.00 23.12 18.48 2kkv s ALA 103 CO 0.00 -4.05 0.03 1.47 0.00 0.00 0.00 175.76 173.21 2kkv n LEU 104 N 10.71 0.06 -0.09 0.00 -0.00 -1.26 -4.79 117.00 121.64 2kkv n LEU 104 Ca 0.45 -0.12 0.04 0.00 -0.00 0.00 0.00 56.01 56.38 2kkv n LEU 104 Cb 0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.87 2kkv n LEU 104 CO 0.72 0.02 0.09 -1.20 -0.00 0.00 0.00 177.39 177.01 2kkv n SER 105 N -0.11 0.71 -4.39 1.45 7.64 -1.26 -4.93 113.62 112.74 2kkv n SER 105 Ca 0.00 -0.86 -0.44 0.00 1.01 0.00 0.00 58.87 58.58 2kkv n SER 105 Cb 0.08 0.74 -0.08 0.00 -1.01 0.00 0.00 64.21 63.93 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 -1.45 5.23 0.01 0.44 -4.23 -1.26 -5.03 115.64 109.35 2kkv s THR 106 Ca 0.05 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 2kkv s THR 106 Cb 0.06 -4.13 -0.01 0.00 1.34 0.00 0.00 72.50 69.76 2kkv s THR 106 CO 0.26 -0.58 -0.02 -0.89 -0.54 0.00 0.00 174.62 172.84 2kkv s THR 107 N 1.65 0.14 0.00 3.99 2.01 -1.26 -5.05 115.64 117.13 2kkv s THR 107 Ca 0.04 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.64 2kkv s THR 107 Cb -0.24 -0.19 0.00 0.00 0.01 0.00 0.00 72.50 72.08 2kkv s THR 107 CO 0.07 -0.16 0.00 2.29 -0.69 0.00 0.00 174.62 176.12 2kkv n LYS 108 N 2.48 -2.45 0.02 4.92 2.85 -1.26 -5.12 118.16 119.61 2kkv n LYS 108 Ca -0.17 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 2kkv n LYS 108 Cb 0.58 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.96 2kkv n LYS 108 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kkv n ALA 109 N -0.02 0.00 0.00 0.58 0.00 -1.26 -5.17 120.51 114.64 2kkv n ALA 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kkv n ALA 109 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.52 0.00 -1.82 0.00 3.00 -1.26 -5.12 116.66 108.94 2kkv n ARG 110 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2kkv n ARG 110 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 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 -0.01 -1.05 -3.99 -0.14 -0.00 -1.26 -5.05 115.22 103.72 2kkv n HIS 111 Ca 0.00 0.46 -0.34 0.00 0.46 0.00 0.00 57.72 58.30 2kkv n HIS 111 Cb 0.00 -2.16 -0.15 0.00 -0.12 0.00 0.00 29.99 27.56 2kkv n HIS 111 CO 0.00 0.00 0.00 -0.47 0.46 0.00 0.00 176.34 176.33 2kkv s TYR 112 N -0.46 3.05 -0.51 1.57 5.04 -1.26 -5.08 117.35 119.70 2kkv s TYR 112 Ca 0.00 -1.61 -0.28 0.00 -2.44 0.00 0.00 57.07 52.74 2kkv s TYR 112 Cb -0.00 -2.03 0.02 0.00 0.35 0.00 0.00 41.96 40.29 2kkv s TYR 112 CO 0.21 -0.75 1.36 -1.25 -1.34 0.00 0.00 175.55 173.78 2kkv s PRO 113 N 1.31 3.45 0.13 4.97 0.05 -1.26 -4.87 135.00 138.78 2kkv s PRO 113 Ca 0.00 0.59 -0.05 0.00 0.05 0.00 0.00 61.00 61.59 2kkv s PRO 113 Cb -0.16 -4.06 -0.09 0.00 0.05 0.00 0.00 34.50 30.24 2kkv s PRO 113 CO -0.05 -1.74 1.31 1.25 0.05 0.00 0.00 177.00 177.82 2kkv h LEU 114 N 12.50 0.57 -3.00 -3.56 5.85 -2.06 -3.20 115.31 122.40 2kkv h LEU 114 Ca -0.26 -0.44 -0.20 0.00 0.84 0.00 0.00 57.88 57.81 2kkv h LEU 114 Cb 1.09 -0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.84 2kkv h LEU 114 CO 1.15 1.24 0.26 -0.62 -0.34 0.00 0.00 178.44 180.13 2kkv n GLU 115 N -3.77 1.50 -3.91 1.25 1.02 -1.26 -4.66 120.64 110.80 2kkv n GLU 115 Ca -0.07 -1.08 -0.30 0.00 -0.02 0.00 0.00 57.16 55.69 2kkv n GLU 115 Cb 0.82 -1.42 -0.14 0.00 -0.02 0.00 0.00 31.44 30.68 2kkv n GLU 115 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2kkv s HIS 116 N -1.22 3.03 -0.98 -0.32 2.46 -1.21 -5.03 115.29 112.02 2kkv s HIS 116 Ca 0.21 -2.96 -0.09 0.00 0.47 0.00 0.00 55.06 52.69 2kkv s HIS 116 Cb 0.17 -2.64 0.25 0.00 -0.13 0.00 0.00 32.58 30.23 2kkv s HIS 116 CO 0.02 -0.80 0.94 -1.01 -2.47 0.00 0.00 174.74 171.43 2kkv s HIS 117 N 0.14 4.05 0.00 3.88 3.76 -1.26 -4.88 115.29 120.97 2kkv s HIS 117 Ca 0.16 -2.54 0.00 0.00 -0.15 0.00 0.00 55.06 52.52 2kkv s HIS 117 Cb -0.24 -3.73 0.00 0.00 1.11 0.00 0.00 32.58 29.72 2kkv s HIS 117 CO -0.03 -0.93 0.00 1.58 -0.85 0.00 0.00 174.74 174.51 2kkv n HIS 118 N 3.04 0.00 -2.40 1.40 -0.00 -1.26 -5.08 115.22 110.93 2kkv n HIS 118 Ca 0.20 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.49 2kkv n HIS 118 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.40 2kkv n HIS 118 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kkv n HIS 119 N 0.00 4.23 -3.15 1.57 -0.00 -1.26 -4.66 115.22 111.95 2kkv n HIS 119 Ca 0.00 -2.97 0.06 0.00 0.46 0.00 0.00 57.72 55.27 2kkv n HIS 119 Cb 0.00 -2.46 -0.01 0.00 -0.12 0.00 0.00 29.99 27.40 2kkv n HIS 119 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kkv s HIS 120 N 3.03 -0.19 -1.85 1.57 5.65 -1.26 -5.33 115.29 116.91 2kkv s HIS 120 Ca 0.48 0.18 0.15 0.00 0.25 0.00 0.00 55.06 56.12 2kkv s HIS 120 Cb 0.06 0.06 0.12 0.00 -1.18 0.00 0.00 32.58 31.63 2kkv s HIS 120 CO 0.01 -0.11 0.97 -2.39 -0.65 0.00 0.00 174.74 172.58