#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkv n GLU 2 N 0.00 0.00 -3.17 0.03 4.07 -1.26 -4.39 120.64 115.92 2kkv n GLU 2 Ca 0.00 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.15 2kkv n GLU 2 Cb 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.36 2kkv n GLU 2 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 2kkv s ASN 3 N -4.00 -0.30 0.12 4.31 3.84 -1.26 -5.06 114.94 112.59 2kkv s ASN 3 Ca 0.00 0.22 -0.14 0.00 0.21 0.00 0.00 52.86 53.15 2kkv s ASN 3 Cb 0.00 1.27 -0.04 0.00 -0.55 0.00 0.00 41.25 41.93 2kkv s ASN 3 CO 0.00 -0.06 1.51 0.28 -2.79 0.00 0.00 177.10 176.04 2kkv h SER 4 N 7.86 0.76 -1.25 -4.21 0.02 -1.98 -3.50 113.55 111.26 2kkv h SER 4 Ca -0.12 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 2kkv h SER 4 Cb 1.17 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2kkv h SER 4 CO -0.11 0.97 0.00 0.61 -1.14 0.00 0.00 176.83 177.16 2kkv n GLY 5 N -0.13 0.09 0.00 -3.77 0.00 -1.26 -4.14 105.19 95.97 2kkv n GLY 5 Ca -0.02 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.43 2kkv n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kkv n ALA 6 N -0.55 0.00 -2.03 4.61 0.00 -1.26 -4.89 120.51 116.40 2kkv n ALA 6 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2kkv n ALA 6 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.96 0.00 -0.79 0.00 4.11 -1.26 -4.93 117.16 113.33 2kkv n TYR 7 Ca 0.00 -0.35 -0.30 0.00 -0.00 0.00 0.00 57.90 57.25 2kkv n TYR 7 Cb 0.00 -0.10 0.17 0.00 -0.00 0.00 0.00 39.34 39.41 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 -0.50 2.28 0.20 -3.48 2.01 -1.26 -4.65 115.64 110.24 2kkv s THR 8 Ca 0.16 0.09 -0.13 0.00 0.31 0.00 0.00 61.69 62.12 2kkv s THR 8 Cb 0.17 -2.22 0.19 0.00 0.01 0.00 0.00 72.50 70.66 2kkv s THR 8 CO -0.05 -0.12 1.65 0.15 -0.69 0.00 0.00 174.62 175.56 2kkv h PHE 9 N -1.88 -0.18 -0.32 4.92 3.57 -1.96 -2.33 116.94 118.76 2kkv h PHE 9 Ca -0.47 0.05 -0.14 0.00 3.53 0.00 0.00 57.97 60.94 2kkv h PHE 9 Cb 1.28 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 40.18 2kkv h PHE 9 CO 0.47 -0.21 -0.38 1.49 -2.23 0.00 0.00 178.31 177.45 2kkv h GLU 10 N 0.05 0.74 -0.03 1.11 4.22 -1.91 -1.08 114.58 117.68 2kkv h GLU 10 Ca 0.29 -0.37 -0.11 0.00 0.08 0.00 0.00 59.36 59.24 2kkv h GLU 10 Cb 0.46 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2kkv h GLU 10 CO -0.56 0.99 -0.51 0.00 -2.18 0.00 0.00 179.01 176.76 2kkv h THR 11 N 0.61 1.36 0.01 0.32 1.03 -1.59 0.74 112.91 115.40 2kkv h THR 11 Ca 0.05 -1.76 -0.25 0.00 -0.01 0.00 0.00 66.41 64.44 2kkv h THR 11 Cb 0.92 1.91 0.01 0.00 -1.07 0.00 0.00 68.15 69.93 2kkv h THR 11 CO 0.08 0.51 -1.03 0.40 -0.01 0.00 0.00 175.52 175.48 2kkv h ILE 12 N 0.07 1.33 0.00 0.00 2.04 -1.37 -3.08 117.51 116.50 2kkv h ILE 12 Ca -0.00 -2.36 -0.04 0.00 1.00 0.00 0.00 64.86 63.46 2kkv h ILE 12 Cb 0.93 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 39.43 2kkv h ILE 12 CO 0.07 0.72 -0.19 0.00 0.00 0.00 0.00 178.15 178.75 2kkv h ALA 13 N 0.53 1.64 -0.78 1.87 0.00 -0.59 -2.66 119.26 119.27 2kkv h ALA 13 Ca -0.12 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 54.82 2kkv h ALA 13 Cb 1.67 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.39 2kkv h ALA 13 CO 0.19 0.23 0.54 0.00 0.00 0.00 0.00 179.25 180.21 2kkv h ARG 14 N 0.00 0.21 0.33 0.00 2.47 0.58 0.47 114.38 118.44 2kkv h ARG 14 Ca -0.00 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2kkv h ARG 14 Cb 0.34 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.60 2kkv h ARG 14 CO 0.02 0.14 -0.28 1.49 0.56 0.00 0.00 179.97 181.90 2kkv h GLU 15 N 0.21 -0.60 0.06 0.04 4.22 -1.58 -1.68 114.58 115.25 2kkv h GLU 15 Ca 0.38 0.04 -0.25 0.00 0.08 0.00 0.00 59.36 59.62 2kkv h GLU 15 Cb 1.19 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 2kkv h GLU 15 CO -0.08 -0.40 -1.17 0.11 -2.18 0.00 0.00 179.01 175.29 2kkv h TRP 16 N -0.63 0.25 -0.76 0.92 5.08 -1.67 -3.33 115.95 115.82 2kkv h TRP 16 Ca -0.02 -0.18 0.22 0.00 1.08 0.00 0.00 58.89 59.99 2kkv h TRP 16 Cb 0.56 -0.01 -0.03 0.00 -3.00 0.00 0.00 29.16 26.68 2kkv h TRP 16 CO -0.16 1.15 0.62 1.25 -1.28 0.00 0.00 178.44 180.02 2kkv h HIS 17 N 0.04 0.00 0.00 0.12 2.76 0.24 0.13 115.15 118.43 2kkv h HIS 17 Ca -0.09 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.08 2kkv h HIS 17 Cb 1.88 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.84 2kkv h HIS 17 CO 0.03 0.00 -0.02 1.05 -1.30 0.00 0.00 177.93 177.69 2kkv h GLU 18 N 0.00 0.00 0.00 5.26 4.11 -1.42 -1.33 114.58 121.19 2kkv h GLU 18 Ca 0.36 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.78 2kkv h GLU 18 Cb 1.59 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.84 2kkv h GLU 18 CO -0.00 0.02 -0.05 1.03 0.07 0.00 0.00 179.01 180.07 2kkv h SER 19 N 0.00 0.00 -4.05 3.06 0.87 -0.99 -3.45 113.55 108.99 2kkv h SER 19 Ca -0.00 0.00 -0.45 0.00 -1.23 0.00 0.00 61.79 60.11 2kkv h SER 19 Cb 0.29 0.00 0.16 0.00 -0.44 0.00 0.00 62.40 62.41 2kkv h SER 19 CO 0.00 0.05 0.40 0.20 -0.53 0.00 0.00 176.83 176.95 2kkv s ASN 20 N -6.19 3.09 -0.67 6.23 -0.87 -0.50 -4.93 114.94 111.09 2kkv s ASN 20 Ca 0.06 0.37 -0.26 0.00 -1.57 0.00 0.00 52.86 51.46 2kkv s ASN 20 Cb 0.06 -0.50 -0.01 0.00 -0.02 0.00 0.00 41.25 40.78 2kkv s ASN 20 CO 0.67 -2.76 1.70 -0.54 -2.57 0.00 0.00 177.10 173.59 2kkv s LYS 21 N -5.80 2.79 -0.31 -0.60 -0.14 -1.26 -4.90 119.74 109.53 2kkv s LYS 21 Ca 0.72 0.31 -0.02 0.00 -1.36 0.00 0.00 55.97 55.62 2kkv s LYS 21 Cb -0.05 -4.37 0.11 0.00 -1.68 0.00 0.00 37.83 31.83 2kkv s LYS 21 CO 0.53 -2.59 0.14 0.50 -0.76 0.00 0.00 175.35 173.16 2kkv s ARG 22 N 6.65 0.42 0.00 1.68 3.00 -1.26 -4.95 118.95 124.49 2kkv s ARG 22 Ca 0.58 -0.84 0.16 0.00 -1.00 0.00 0.00 55.73 54.63 2kkv s ARG 22 Cb -0.11 -1.45 0.07 0.00 0.00 0.00 0.00 34.95 33.47 2kkv s ARG 22 CO 0.18 -1.04 0.93 -2.67 0.00 0.00 0.00 175.30 172.70 2kkv n TRP 23 N 4.92 0.00 -3.63 5.12 2.14 -1.26 -4.98 117.44 119.75 2kkv n TRP 23 Ca -0.02 0.00 -0.12 0.00 2.07 0.00 0.00 57.50 59.43 2kkv n TRP 23 Cb 0.41 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 30.84 2kkv n TRP 23 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 2kkv s SER 24 N -1.53 -0.63 0.40 -0.67 0.15 -1.26 -5.02 113.70 105.13 2kkv s SER 24 Ca 0.16 1.20 0.18 0.00 0.70 0.00 0.00 55.95 58.19 2kkv s SER 24 Cb 0.13 1.21 0.83 0.00 -1.71 0.00 0.00 66.02 66.48 2kkv s SER 24 CO 0.27 -0.22 1.82 -0.33 1.20 0.00 0.00 173.24 175.99 2kkv h GLU 25 N 4.63 0.00 -0.60 5.44 4.39 -1.96 -2.90 114.58 123.58 2kkv h GLU 25 Ca -0.29 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.43 2kkv h GLU 25 Cb 1.17 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.78 2kkv h GLU 25 CO 0.08 0.34 0.40 0.22 -1.16 0.00 0.00 179.01 178.89 2kkv h ASP 26 N 0.00 0.65 0.23 1.42 1.82 -2.02 -2.26 116.42 116.26 2kkv h ASP 26 Ca -0.00 -0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 56.59 2kkv h ASP 26 Cb 0.72 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 40.57 2kkv h ASP 26 CO 0.04 0.46 -0.16 -0.74 -1.61 0.00 0.00 179.24 177.23 2kkv h HIS 27 N 0.76 0.00 0.00 0.28 2.76 -1.93 -1.56 115.15 115.46 2kkv h HIS 27 Ca 0.23 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.34 2kkv h HIS 27 Cb -0.01 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 2kkv h HIS 27 CO -0.00 0.16 -0.28 0.07 -1.30 0.00 0.00 177.93 176.58 2kkv h ARG 28 N 0.00 0.00 -0.06 5.26 0.11 -1.55 -2.24 114.38 115.90 2kkv h ARG 28 Ca -0.00 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.92 2kkv h ARG 28 Cb 0.32 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.39 2kkv h ARG 28 CO 0.02 0.28 -0.68 0.77 0.10 0.00 0.00 179.97 180.46 2kkv h SER 29 N 0.00 0.30 -0.02 0.08 0.02 -1.37 0.11 113.55 112.67 2kkv h SER 29 Ca -0.00 -0.19 -0.23 0.00 -0.84 0.00 0.00 61.79 60.53 2kkv h SER 29 Cb 0.83 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 63.29 2kkv h SER 29 CO 0.04 0.89 -0.87 0.03 -1.14 0.00 0.00 176.83 175.77 2kkv h ARG 30 N 0.18 0.70 0.00 3.45 2.47 -1.43 -3.12 114.38 116.63 2kkv h ARG 30 Ca -0.02 -0.63 0.00 0.00 -1.26 0.00 0.00 59.98 58.07 2kkv h ARG 30 Cb 1.22 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.69 2kkv h ARG 30 CO 0.11 1.24 -0.27 1.33 0.56 0.00 0.00 179.97 182.93 2kkv n VAL 31 N -3.88 0.47 -0.05 2.04 0.24 -0.88 -4.00 118.33 112.27 2kkv n VAL 31 Ca -0.08 -0.27 -0.08 0.00 -2.04 0.00 0.00 64.34 61.88 2kkv n VAL 31 Cb 0.79 -0.38 -0.01 0.00 -1.47 0.00 0.00 33.84 32.77 2kkv n VAL 31 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 2kkv h LEU 32 N 0.00 -0.49 -1.70 1.34 6.46 -0.70 0.13 115.31 120.35 2kkv h LEU 32 Ca 0.00 0.11 -0.03 0.00 -0.12 0.00 0.00 57.88 57.83 2kkv h LEU 32 Cb 0.73 0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 40.91 2kkv h LEU 32 CO 0.00 -0.19 -0.16 0.08 -0.62 0.00 0.00 178.44 177.55 2kkv h ARG 33 N -0.13 0.00 -0.06 1.25 0.11 -1.70 -0.96 114.38 112.88 2kkv h ARG 33 Ca 0.14 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.19 2kkv h ARG 33 Cb 0.33 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.41 2kkv h ARG 33 CO -0.33 0.16 -0.08 -0.92 0.10 0.00 0.00 179.97 178.91 2kkv h TYR 34 N 0.00 0.20 0.00 4.08 3.20 -1.23 -1.84 116.97 121.38 2kkv h TYR 34 Ca -0.00 -0.06 -0.10 0.00 3.14 0.00 0.00 58.73 61.70 2kkv h TYR 34 Cb 0.29 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 2kkv h TYR 34 CO 0.00 0.63 -0.50 1.37 -1.64 0.00 0.00 178.16 178.02 2kkv h LEU 35 N -0.29 0.00 -0.50 2.82 8.10 -0.54 0.22 115.31 125.12 2kkv h LEU 35 Ca 0.01 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.84 2kkv h LEU 35 Cb 0.60 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.80 2kkv h LEU 35 CO 0.02 0.50 -0.74 -0.08 -4.11 0.00 0.00 178.44 174.02 2kkv h GLU 36 N 0.00 0.00 0.00 0.17 4.81 -1.19 -1.73 114.58 116.64 2kkv h GLU 36 Ca -0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 2kkv h GLU 36 Cb 0.91 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.24 2kkv h GLU 36 CO 0.06 0.74 -2.17 -0.11 -0.73 0.00 0.00 179.01 176.81 2kkv n LEU 37 N -3.64 0.12 -0.06 1.64 7.94 -0.69 -2.50 117.00 119.80 2kkv n LEU 37 Ca -0.01 0.06 -0.08 0.00 -1.11 0.00 0.00 56.01 54.87 2kkv n LEU 37 Cb 0.73 0.32 -0.08 0.00 0.53 0.00 0.00 43.42 44.92 2kkv n LEU 37 CO 0.44 0.34 -0.92 -1.22 -1.11 0.00 0.00 177.39 174.91 2kkv n TYR 38 N -2.66 0.00 -0.07 1.96 4.02 0.73 -4.27 117.16 116.87 2kkv n TYR 38 Ca -0.23 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.60 2kkv n TYR 38 Cb 0.98 -0.56 -0.03 0.00 -0.02 0.00 0.00 39.34 39.70 2kkv n TYR 38 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 2kkv h ILE 39 N 0.00 0.31 -2.45 -0.72 1.08 -1.47 -3.43 117.51 110.82 2kkv h ILE 39 Ca -0.32 -1.29 -0.59 0.00 -0.39 0.00 0.00 64.86 62.27 2kkv h ILE 39 Cb 1.60 0.64 -0.40 0.00 -3.07 0.00 0.00 36.82 35.59 2kkv h ILE 39 CO -0.02 0.10 -0.83 2.22 -0.69 0.00 0.00 178.15 178.94 2kkv n PHE 40 N -4.65 1.09 0.03 1.37 -1.74 -0.72 -4.90 117.46 107.95 2kkv n PHE 40 Ca -0.08 -3.78 -0.07 0.00 -0.56 0.00 0.00 57.45 52.96 2kkv n PHE 40 Cb 0.24 -0.24 -0.05 0.00 1.52 0.00 0.00 39.48 40.95 2kkv n PHE 40 CO 0.00 0.00 0.00 -1.00 -0.56 0.00 0.00 176.76 175.20 2kkv h PRO 41 N 4.97 -0.19 0.00 3.97 0.13 -1.67 -2.05 132.00 137.17 2kkv h PRO 41 Ca 0.18 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2kkv h PRO 41 Cb 0.82 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2kkv h PRO 41 CO 0.56 0.11 -0.64 1.25 -0.23 0.00 0.00 178.00 179.05 2kkv h HIS 42 N -0.99 0.00 -0.63 1.56 2.76 -1.91 -3.17 115.15 112.78 2kkv h HIS 42 Ca -0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2kkv h HIS 42 Cb 0.38 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.34 2kkv h HIS 42 CO 0.06 0.00 0.00 0.44 -1.30 0.00 0.00 177.93 177.13 2kkv n ILE 43 N -2.29 0.97 1.48 6.26 -5.35 -1.26 -4.36 119.36 114.81 2kkv n ILE 43 Ca 0.03 -0.99 0.10 0.00 -0.27 0.00 0.00 62.75 61.62 2kkv n ILE 43 Cb 0.47 0.53 0.58 0.00 -1.74 0.00 0.00 39.64 39.47 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 1.37 -0.74 0.01 3.28 0.00 -0.77 -1.64 105.19 106.70 2kkv n GLY 44 Ca 0.21 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.91 0.44 -4.34 1.61 3.41 -1.26 -4.74 113.62 107.82 2kkv n SER 45 Ca 0.15 -0.05 -0.38 0.00 -0.26 0.00 0.00 58.87 58.33 2kkv n SER 45 Cb 0.07 0.08 -0.12 0.00 -0.26 0.00 0.00 64.21 63.98 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 -3.19 5.31 0.66 4.04 0.01 -0.65 -5.10 113.70 114.79 2kkv s SER 46 Ca 0.11 -0.84 -0.11 0.00 1.31 0.00 0.00 55.95 56.42 2kkv s SER 46 Cb 0.17 -1.91 -0.01 0.00 0.21 0.00 0.00 66.02 64.47 2kkv s SER 46 CO 0.67 -0.25 1.06 -0.62 0.41 0.00 0.00 173.24 174.50 2kkv s ASP 47 N 1.50 5.86 0.61 2.44 2.15 -1.26 -4.93 116.67 123.04 2kkv s ASP 47 Ca 0.02 1.31 0.32 0.00 0.43 0.00 0.00 52.55 54.62 2kkv s ASP 47 Cb -0.18 -2.24 1.80 0.00 -0.30 0.00 0.00 42.92 42.00 2kkv s ASP 47 CO 0.04 -1.10 2.13 -0.29 -0.17 0.00 0.00 175.17 175.78 2kkv h ILE 48 N -0.48 0.33 -0.36 4.11 2.10 -1.92 0.01 117.51 121.31 2kkv h ILE 48 Ca -0.44 0.00 0.10 0.00 1.08 0.00 0.00 64.86 65.60 2kkv h ILE 48 Cb 1.22 0.85 -0.01 0.00 -1.09 0.00 0.00 36.82 37.79 2kkv h ILE 48 CO 0.63 0.00 0.34 0.08 -1.08 0.00 0.00 178.15 178.12 2kkv h ARG 49 N 0.00 0.00 -1.83 2.19 0.11 -1.92 -3.29 114.38 109.64 2kkv h ARG 49 Ca 0.05 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 59.76 2kkv h ARG 49 Cb 0.40 0.00 -0.29 0.00 1.11 0.00 0.00 29.97 31.19 2kkv h ARG 49 CO -0.00 0.00 -0.72 -1.14 0.10 0.00 0.00 179.97 178.21 2kkv s GLN 50 N -4.72 0.81 0.41 0.08 2.00 -0.01 -4.58 119.66 113.64 2kkv s GLN 50 Ca -0.05 -1.23 -0.01 0.00 -2.00 0.00 0.00 55.36 52.08 2kkv s GLN 50 Cb 0.16 -0.74 -0.02 0.00 0.80 0.00 0.00 33.01 33.21 2kkv s GLN 50 CO 0.59 -1.28 0.64 -1.17 -0.50 0.00 0.00 175.29 173.58 2kkv s LEU 51 N 0.95 3.80 0.49 3.68 2.96 -1.24 -4.49 118.68 124.83 2kkv s LEU 51 Ca 0.24 0.47 0.03 0.00 -0.22 0.00 0.00 54.13 54.65 2kkv s LEU 51 Cb -0.07 -3.35 -0.02 0.00 0.50 0.00 0.00 46.19 43.26 2kkv s LEU 51 CO -0.08 -0.51 0.10 -0.54 -1.32 0.00 0.00 176.35 174.01 2kkv s LYS 52 N -4.49 2.18 0.00 1.98 1.02 -1.26 -4.86 119.74 114.32 2kkv s LYS 52 Ca 0.45 -2.23 0.00 0.00 0.02 0.00 0.00 55.97 54.20 2kkv s LYS 52 Cb -0.10 -1.70 0.00 0.00 -0.52 0.00 0.00 37.83 35.51 2kkv s LYS 52 CO 0.38 -0.35 0.00 2.41 -0.92 0.00 0.00 175.35 176.88 2kkv n THR 53 N -1.32 0.00 0.61 2.17 -1.04 -1.25 -4.58 114.28 108.87 2kkv n THR 53 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 2kkv n THR 53 Cb 0.66 -0.97 0.00 0.00 -1.82 0.00 0.00 70.33 68.20 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 -1.32 0.04 0.22 8.00 7.64 -1.26 -2.63 113.62 124.30 2kkv n SER 54 Ca 0.00 -0.65 0.06 0.00 1.01 0.00 0.00 58.87 59.30 2kkv n SER 54 Cb 0.00 -0.02 0.51 0.00 -1.01 0.00 0.00 64.21 63.69 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 0.07 0.00 0.00 1.43 -0.00 -1.97 -1.64 115.15 113.05 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 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.43 2kkv h HIS 55 CO 0.00 0.24 0.00 1.47 -0.00 0.00 0.00 177.93 179.64 2kkv n LEU 56 N -4.03 0.75 0.24 2.43 -0.00 -1.08 -2.65 117.00 112.67 2kkv n LEU 56 Ca -0.02 0.64 0.13 0.00 -0.00 0.00 0.00 56.01 56.76 2kkv n LEU 56 Cb 0.31 -0.49 0.47 0.00 -0.00 0.00 0.00 43.42 43.71 2kkv n LEU 56 CO 0.35 -0.44 0.87 0.25 -0.00 0.00 0.00 177.39 178.42 2kkv h LEU 57 N 0.00 0.00 0.08 1.47 5.85 -1.54 -3.27 115.31 117.90 2kkv h LEU 57 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kkv h LEU 57 Cb 0.50 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 2kkv h LEU 57 CO 0.00 0.09 -0.07 0.00 -0.34 0.00 0.00 178.44 178.12 2kkv h ALA 58 N 1.91 -0.15 -0.43 1.25 0.00 -1.63 -1.57 119.26 118.64 2kkv h ALA 58 Ca -0.00 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.98 2kkv h ALA 58 Cb 0.74 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2kkv h ALA 58 CO 0.01 -0.59 0.29 -1.35 0.00 0.00 0.00 179.25 177.61 2kkv h PRO 59 N -0.17 0.18 0.00 0.00 0.11 -1.78 -0.78 132.00 129.56 2kkv h PRO 59 Ca 0.00 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.02 2kkv h PRO 59 Cb 0.16 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 2kkv h PRO 59 CO -0.01 0.12 -0.37 0.82 -0.21 0.00 0.00 178.00 178.34 2kkv h ILE 60 N 0.18 1.13 0.00 4.15 1.08 -1.42 -2.64 117.51 119.99 2kkv h ILE 60 Ca 0.20 -1.32 -0.05 0.00 -0.39 0.00 0.00 64.86 63.29 2kkv h ILE 60 Cb 0.54 1.74 -0.01 0.00 -3.07 0.00 0.00 36.82 36.03 2kkv h ILE 60 CO -0.03 0.36 -0.24 0.11 -0.69 0.00 0.00 178.15 177.66 2kkv h LYS 61 N 0.00 0.00 -0.09 2.37 1.79 -0.23 0.17 116.57 120.58 2kkv h LYS 61 Ca -0.00 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.48 2kkv h LYS 61 Cb 0.71 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.35 2kkv h LYS 61 CO 0.05 0.24 -0.01 0.93 -1.08 0.00 0.00 179.45 179.57 2kkv h GLU 62 N 0.00 0.01 0.06 3.15 5.08 -1.44 0.26 114.58 121.70 2kkv h GLU 62 Ca -0.00 -0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 2kkv h GLU 62 Cb 0.63 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2kkv h GLU 62 CO 0.03 0.01 -1.07 -0.24 -1.00 0.00 0.00 179.01 176.73 2kkv h VAL 63 N 0.01 1.54 0.68 3.13 3.04 -1.60 -3.27 116.25 119.78 2kkv h VAL 63 Ca 0.04 -3.00 -0.03 0.00 -1.01 0.00 0.00 66.70 62.71 2kkv h VAL 63 Cb 0.06 2.77 -0.00 0.00 -2.01 0.00 0.00 31.29 32.11 2kkv h VAL 63 CO -0.09 0.87 -0.40 -0.78 -1.01 0.00 0.00 177.57 176.16 2kkv h ASP 64 N 0.07 -1.01 0.74 3.17 3.58 -0.35 -2.78 116.42 119.85 2kkv h ASP 64 Ca -0.08 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2kkv h ASP 64 Cb 1.78 0.29 0.00 0.00 1.72 0.00 0.00 39.33 43.12 2kkv h ASP 64 CO 0.17 -0.63 0.00 0.41 -2.88 0.00 0.00 179.24 176.30 2kkv n THR 65 N -5.54 0.80 0.42 2.25 -1.04 0.87 -1.31 114.28 110.73 2kkv n THR 65 Ca -0.13 0.17 0.13 0.00 -2.04 0.00 0.00 64.05 62.17 2kkv n THR 65 Cb 0.43 -1.00 0.49 0.00 -1.82 0.00 0.00 70.33 68.43 2kkv n THR 65 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2kkv h SER 66 N 0.00 0.00 0.00 8.00 0.02 -1.56 -3.46 113.55 116.56 2kkv h SER 66 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kkv h SER 66 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 2kkv h SER 66 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2kkv n GLY 67 N 0.34 0.62 1.45 -3.77 0.00 -0.44 -4.97 105.19 98.42 2kkv n GLY 67 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 2kkv n GLY 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kkv n LYS 68 N 0.00 3.63 -0.31 1.61 3.00 -1.01 -4.61 118.16 120.47 2kkv n LYS 68 Ca 0.00 -2.24 0.04 0.00 -0.00 0.00 0.00 58.31 56.11 2kkv n LYS 68 Cb 0.00 -1.98 0.19 0.00 0.00 0.00 0.00 35.03 33.24 2kkv n LYS 68 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.40 178.52 2kkv h HIS 69 N 2.94 0.91 -0.06 5.64 2.07 -1.39 0.45 115.15 125.70 2kkv h HIS 69 Ca 0.00 0.03 -0.24 0.00 -2.85 0.00 0.00 60.37 57.31 2kkv h HIS 69 Cb 1.47 -0.28 0.01 0.00 2.57 0.00 0.00 27.41 31.18 2kkv h HIS 69 CO 0.74 0.35 -0.91 0.22 -3.07 0.00 0.00 177.93 175.26 2kkv h ASP 70 N 0.81 0.84 -0.02 3.10 3.58 -1.87 -1.85 116.42 121.01 2kkv h ASP 70 Ca 0.43 -0.62 -0.02 0.00 0.42 0.00 0.00 57.03 57.24 2kkv h ASP 70 Cb 0.43 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2kkv h ASP 70 CO -0.27 1.41 -0.08 0.58 -2.88 0.00 0.00 179.24 178.00 2kkv h VAL 71 N 0.42 1.49 -0.49 2.25 2.07 -1.73 -3.03 116.25 117.23 2kkv h VAL 71 Ca -0.09 -1.57 0.01 0.00 0.82 0.00 0.00 66.70 65.87 2kkv h VAL 71 Cb 1.55 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 33.78 2kkv h VAL 71 CO 0.18 0.42 0.32 0.00 0.02 0.00 0.00 177.57 178.51 2kkv h ALA 72 N 0.38 0.62 -0.39 1.67 0.00 -0.18 -0.98 119.26 120.38 2kkv h ALA 72 Ca -0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2kkv h ALA 72 Cb 0.73 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2kkv h ALA 72 CO 0.02 0.06 0.23 0.37 0.00 0.00 0.00 179.25 179.93 2kkv h GLN 73 N 0.66 0.46 -0.69 0.00 4.15 -1.43 0.39 115.11 118.65 2kkv h GLN 73 Ca 0.18 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.53 2kkv h GLN 73 Cb -0.07 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.49 2kkv h GLN 73 CO -0.04 0.30 0.26 -0.09 -1.93 0.00 0.00 178.83 177.33 2kkv h ARG 74 N 0.47 1.02 -0.06 1.69 9.65 -1.35 -1.96 114.38 123.84 2kkv h ARG 74 Ca 0.15 -0.18 -0.08 0.00 -1.10 0.00 0.00 59.98 58.78 2kkv h ARG 74 Cb 0.00 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.42 2kkv h ARG 74 CO -0.07 0.84 -0.26 -0.07 2.80 0.00 0.00 179.97 183.21 2kkv h LEU 75 N 1.00 0.33 -1.15 3.80 3.38 -0.49 -3.28 115.31 118.90 2kkv h LEU 75 Ca 0.23 -0.64 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 2kkv h LEU 75 Cb 0.21 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2kkv h LEU 75 CO -0.02 0.92 0.37 0.06 0.09 0.00 0.00 178.44 179.86 2kkv h GLN 76 N -0.24 0.96 0.00 1.13 -0.00 -0.18 -1.21 115.11 115.57 2kkv h GLN 76 Ca -0.02 -0.11 -0.00 0.00 -0.00 0.00 0.00 58.65 58.53 2kkv h GLN 76 Cb 0.91 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.48 28.20 2kkv h GLN 76 CO 0.05 0.71 -0.00 0.37 -0.00 0.00 0.00 178.83 179.97 2kkv h GLN 77 N 0.96 0.00 -0.19 0.06 -0.00 -1.41 -2.10 115.11 112.43 2kkv h GLN 77 Ca 0.24 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.85 2kkv h GLN 77 Cb 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.51 2kkv h GLN 77 CO -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 178.83 178.70 2kkv h ARG 78 N 0.00 0.30 -0.11 1.69 2.47 -1.27 -2.17 114.38 115.28 2kkv h ARG 78 Ca -0.00 -0.06 -0.08 0.00 -1.26 0.00 0.00 59.98 58.58 2kkv h ARG 78 Cb 0.07 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 2kkv h ARG 78 CO 0.00 0.41 -0.29 -0.39 0.56 0.00 0.00 179.97 180.25 2kkv h VAL 79 N 0.28 1.25 -0.92 2.04 -1.51 -1.53 -2.03 116.25 113.83 2kkv h VAL 79 Ca 0.06 -1.20 -0.00 0.00 -1.23 0.00 0.00 66.70 64.33 2kkv h VAL 79 Cb 0.35 1.50 -0.04 0.00 -2.13 0.00 0.00 31.29 30.97 2kkv h VAL 79 CO 0.02 0.36 0.56 0.74 -1.23 0.00 0.00 177.57 178.02 2kkv h THR 80 N 0.18 1.25 -0.40 7.19 2.02 -1.53 -0.92 112.91 120.71 2kkv h THR 80 Ca 0.03 -0.54 -0.13 0.00 0.77 0.00 0.00 66.41 66.53 2kkv h THR 80 Cb 0.62 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2kkv h THR 80 CO 0.04 0.26 -0.27 0.00 0.37 0.00 0.00 175.52 175.93 2kkv h ALA 81 N 1.31 0.77 -0.50 6.16 0.00 -1.33 -2.16 119.26 123.51 2kkv h ALA 81 Ca 0.33 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2kkv h ALA 81 Cb -0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2kkv h ALA 81 CO -0.06 0.65 0.33 0.82 0.00 0.00 0.00 179.25 180.99 2kkv h ILE 82 N 0.72 1.12 0.00 0.00 2.04 -0.81 -1.78 117.51 118.81 2kkv h ILE 82 Ca 0.09 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 2kkv h ILE 82 Cb 0.81 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2kkv h ILE 82 CO 0.07 0.12 -0.21 0.24 0.00 0.00 0.00 178.15 178.37 2kkv h MET 83 N 0.67 0.00 -0.49 2.37 2.86 -1.01 -0.84 114.93 118.48 2kkv h MET 83 Ca 0.18 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.71 2kkv h MET 83 Cb -0.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 2kkv h MET 83 CO -0.04 0.21 -0.13 -0.09 1.06 0.00 0.00 176.91 177.92 2kkv h ARG 84 N 0.00 0.93 -0.10 1.72 1.12 -0.67 0.23 114.38 117.61 2kkv h ARG 84 Ca -0.00 -0.34 -0.20 0.00 -1.11 0.00 0.00 59.98 58.33 2kkv h ARG 84 Cb 0.39 -0.06 0.01 0.00 -0.01 0.00 0.00 29.97 30.30 2kkv h ARG 84 CO 0.03 1.00 -0.70 1.88 -3.11 0.00 0.00 179.97 179.06 2kkv h TYR 85 N 0.83 0.90 -0.63 2.20 0.05 -0.93 -2.69 116.97 116.70 2kkv h TYR 85 Ca 0.13 -0.42 -0.07 0.00 0.05 0.00 0.00 58.73 58.42 2kkv h TYR 85 Cb 0.67 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.25 2kkv h TYR 85 CO 0.04 1.23 0.12 0.00 -1.05 0.00 0.00 178.16 178.50 2kkv h ALA 86 N 0.48 0.84 0.00 3.88 0.00 -1.04 -2.54 119.26 120.87 2kkv h ALA 86 Ca -0.06 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 2kkv h ALA 86 Cb 1.35 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2kkv h ALA 86 CO 0.14 0.58 -0.31 -0.24 0.00 0.00 0.00 179.25 179.43 2kkv h VAL 87 N 0.95 0.98 -0.20 0.00 3.04 -0.59 -2.60 116.25 117.83 2kkv h VAL 87 Ca 0.19 -1.16 -0.05 0.00 -1.01 0.00 0.00 66.70 64.68 2kkv h VAL 87 Cb 0.41 1.67 -0.01 0.00 -2.01 0.00 0.00 31.29 31.35 2kkv h VAL 87 CO 0.01 0.30 -0.10 -0.61 -1.01 0.00 0.00 177.57 176.16 2kkv h GLN 88 N 0.00 0.32 -0.05 4.17 -0.00 -1.10 0.13 115.11 118.57 2kkv h GLN 88 Ca -0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.57 2kkv h GLN 88 Cb 0.64 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 28.08 2kkv h GLN 88 CO 0.04 0.43 0.00 0.09 0.00 0.00 0.00 178.83 179.39 2kkv n ASN 89 N -4.27 1.41 -3.80 -0.69 3.02 -1.06 -4.91 115.26 104.96 2kkv n ASN 89 Ca -0.00 -1.52 -0.28 0.00 -0.03 0.00 0.00 54.58 52.75 2kkv n ASN 89 Cb 0.26 -0.03 0.05 0.00 -0.61 0.00 0.00 39.78 39.45 2kkv n ASN 89 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2kkv n ASP 90 N 0.11 -5.32 -0.01 6.41 2.03 0.44 -4.89 116.55 115.33 2kkv n ASP 90 Ca 0.18 -0.69 0.10 0.00 0.52 0.00 0.00 54.79 54.90 2kkv n ASP 90 Cb 0.32 -4.31 -0.15 0.00 -0.72 0.00 0.00 41.12 36.27 2kkv n ASP 90 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kkv n TYR 91 N -4.80 0.00 0.00 -0.67 4.19 -1.01 -4.87 117.16 110.00 2kkv n TYR 91 Ca 0.02 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.23 2kkv n TYR 91 Cb 0.54 -0.38 0.00 0.00 0.49 0.00 0.00 39.34 39.99 2kkv n TYR 91 CO 0.00 0.00 0.00 0.44 0.91 0.00 0.00 176.86 178.21 2kkv n ILE 92 N -2.08 0.00 -2.61 2.97 -5.35 -1.26 -5.01 119.36 106.02 2kkv n ILE 92 Ca -0.02 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.43 2kkv n ILE 92 Cb 0.50 -0.50 -0.01 0.00 -1.74 0.00 0.00 39.64 37.89 2kkv n ILE 92 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2kkv n ASP 93 N -0.25 -0.82 0.00 7.28 2.03 -1.26 -4.90 116.55 118.63 2kkv n ASP 93 Ca 0.00 -1.48 0.00 0.00 0.52 0.00 0.00 54.79 53.83 2kkv n ASP 93 Cb 0.00 0.71 0.00 0.00 -0.72 0.00 0.00 41.12 41.11 2kkv n ASP 93 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2kkv n SER 94 N -0.42 -1.10 -4.12 1.67 7.64 -1.26 -4.57 113.62 111.47 2kkv n SER 94 Ca -0.20 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.31 2kkv n SER 94 Cb 0.61 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.73 2kkv n SER 94 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2kkv s ASN 95 N -4.00 5.56 0.38 6.43 3.84 -1.26 -4.82 114.94 121.08 2kkv s ASN 95 Ca 0.00 -3.08 0.26 0.00 0.21 0.00 0.00 52.86 50.26 2kkv s ASN 95 Cb 0.00 -1.90 0.76 0.00 -0.55 0.00 0.00 41.25 39.56 2kkv s ASN 95 CO 0.00 -0.34 1.75 -0.65 -2.79 0.00 0.00 177.10 175.07 2kkv h PRO 96 N 6.82 0.00 -4.33 0.43 0.11 -1.89 -3.39 132.00 129.75 2kkv h PRO 96 Ca 0.04 0.00 -0.76 0.00 0.11 0.00 0.00 66.00 65.40 2kkv h PRO 96 Cb 0.92 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 31.82 2kkv h PRO 96 CO 0.75 0.00 0.87 0.00 -0.21 0.00 0.00 178.00 179.41 2kkv s ALA 97 N -3.29 4.15 -0.01 -0.75 0.00 -1.26 -3.91 121.76 116.69 2kkv s ALA 97 Ca 0.06 -3.42 0.02 0.00 0.00 0.00 0.00 51.96 48.63 2kkv s ALA 97 Cb 0.08 -3.88 -0.00 0.00 0.00 0.00 0.00 23.12 19.32 2kkv s ALA 97 CO 0.59 -2.58 -0.08 -1.12 0.00 0.00 0.00 175.76 172.57 2kkv s SER 98 N 2.41 0.98 -0.84 0.00 0.01 -1.26 -4.72 113.70 110.29 2kkv s SER 98 Ca 0.35 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.46 2kkv s SER 98 Cb -0.06 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.02 2kkv s SER 98 CO -0.05 0.09 0.00 -0.67 0.41 0.00 0.00 173.24 173.02 2kkv n ASP 99 N 2.98 -4.91 0.05 2.44 2.03 -1.26 -4.76 116.55 113.11 2kkv n ASP 99 Ca -0.14 0.19 -0.06 0.00 0.52 0.00 0.00 54.79 55.30 2kkv n ASP 99 Cb 0.57 -3.11 0.13 0.00 -0.72 0.00 0.00 41.12 37.99 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 0.14 0.36 -0.64 -0.67 4.05 -1.94 -2.35 114.93 113.88 2kkv h MET 100 Ca -0.16 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 59.05 2kkv h MET 100 Cb 0.84 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.65 2kkv h MET 100 CO 0.24 0.79 0.00 0.00 0.23 0.00 0.00 176.91 178.17 2kkv n ALA 101 N -2.49 3.11 -1.78 0.39 0.00 -1.26 -4.70 120.51 113.78 2kkv n ALA 101 Ca -0.02 -1.32 -0.41 0.00 0.00 0.00 0.00 53.44 51.68 2kkv n ALA 101 Cb 0.57 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.97 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 0.89 4.52 0.00 0.00 0.00 -0.88 -4.66 105.19 105.06 2kkv n GLY 102 Ca 0.21 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 4.71 0.00 1.06 4.61 0.00 -1.26 -5.00 120.51 124.63 2kkv n ALA 103 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2kkv n ALA 103 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 2kkv n ALA 103 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2kkv n LEU 104 N 0.00 0.15 0.07 0.00 -0.00 -1.26 -3.72 117.00 112.23 2kkv n LEU 104 Ca 0.00 -0.07 0.01 0.00 -0.00 0.00 0.00 56.01 55.94 2kkv n LEU 104 Cb 0.00 -0.07 0.32 0.00 -0.00 0.00 0.00 43.42 43.67 2kkv n LEU 104 CO 0.00 0.04 0.86 0.28 -0.00 0.00 0.00 177.39 178.57 2kkv h SER 105 N 0.10 0.34 -3.34 1.45 0.02 -1.95 -3.39 113.55 106.78 2kkv h SER 105 Ca 0.00 -0.08 -0.54 0.00 -0.84 0.00 0.00 61.79 60.34 2kkv h SER 105 Cb 0.07 -0.09 -0.40 0.00 0.14 0.00 0.00 62.40 62.13 2kkv h SER 105 CO 0.00 0.50 -0.77 0.42 -1.14 0.00 0.00 176.83 175.84 2kkv s THR 106 N -4.72 0.72 -0.12 -2.27 -4.23 -1.24 -5.11 115.64 98.66 2kkv s THR 106 Ca -0.06 -0.69 0.01 0.00 -1.18 0.00 0.00 61.69 59.77 2kkv s THR 106 Cb 0.15 -1.18 -0.01 0.00 1.34 0.00 0.00 72.50 72.80 2kkv s THR 106 CO 0.75 -0.19 -0.17 0.42 -0.54 0.00 0.00 174.62 174.89 2kkv s THR 107 N 1.77 2.65 0.24 3.99 -4.23 -1.26 -5.01 115.64 113.78 2kkv s THR 107 Ca -0.02 -0.80 -0.20 0.00 -1.18 0.00 0.00 61.69 59.48 2kkv s THR 107 Cb -0.17 -2.08 0.03 0.00 1.34 0.00 0.00 72.50 71.62 2kkv s THR 107 CO -0.08 0.54 0.64 -1.59 -0.54 0.00 0.00 174.62 173.59 2kkv s LYS 108 N 0.36 1.59 0.00 3.99 -2.85 -1.26 -5.08 119.74 116.49 2kkv s LYS 108 Ca -0.14 -0.87 0.00 0.00 -1.00 0.00 0.00 55.97 53.96 2kkv s LYS 108 Cb -0.17 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.18 2kkv s LYS 108 CO 0.07 -0.71 0.00 0.00 0.10 0.00 0.00 175.35 174.81 2kkv n ALA 109 N -0.42 0.00 -2.00 0.59 0.00 -1.26 -5.16 120.51 112.26 2kkv n ALA 109 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2kkv n ALA 109 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 -1.94 -5.08 -0.26 0.00 1.74 -1.26 -5.01 116.66 104.85 2kkv n ARG 110 Ca 0.00 3.61 0.00 0.00 -0.77 0.00 0.00 57.85 60.69 2kkv n ARG 110 Cb 0.00 -3.98 0.00 0.00 -1.02 0.00 0.00 32.46 27.46 2kkv n ARG 110 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2kkv n HIS 111 N 1.41 0.00 -4.16 -1.55 -0.00 -1.26 -5.11 115.22 104.55 2kkv n HIS 111 Ca 0.00 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.87 2kkv n HIS 111 Cb 0.00 0.06 -0.08 0.00 -0.12 0.00 0.00 29.99 29.85 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 0.00 3.02 0.45 1.57 2.02 -1.26 -5.10 117.35 118.06 2kkv s TYR 112 Ca 0.00 0.00 -0.24 0.00 -0.37 0.00 0.00 57.07 56.47 2kkv s TYR 112 Cb 0.00 -1.57 -0.07 0.00 -0.40 0.00 0.00 41.96 39.91 2kkv s TYR 112 CO 0.00 0.48 1.20 -1.25 -1.57 0.00 0.00 175.55 174.41 2kkv s PRO 113 N -2.14 3.76 0.11 -1.71 0.04 -1.26 -4.95 135.00 128.85 2kkv s PRO 113 Ca 0.25 1.88 -0.17 0.00 0.04 0.00 0.00 61.00 62.99 2kkv s PRO 113 Cb -0.12 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 31.90 2kkv s PRO 113 CO 0.17 -0.58 1.60 -0.07 0.04 0.00 0.00 177.00 178.16 2kkv h LEU 114 N 2.15 0.48 -2.50 -3.56 3.38 -2.04 -3.48 115.31 109.74 2kkv h LEU 114 Ca -0.49 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.25 2kkv h LEU 114 Cb 1.25 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.81 2kkv h LEU 114 CO 0.60 0.59 -0.98 1.21 0.09 0.00 0.00 178.44 179.95 2kkv n GLU 115 N -4.65 -3.09 -5.12 1.13 2.13 -1.26 -5.03 120.64 104.76 2kkv n GLU 115 Ca -0.02 2.47 -0.32 0.00 0.66 0.00 0.00 57.16 59.95 2kkv n GLU 115 Cb 0.19 -3.45 -0.15 0.00 0.27 0.00 0.00 31.44 28.31 2kkv n GLU 115 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2kkv s HIS 116 N -0.61 2.51 0.00 4.31 3.76 -1.26 -4.70 115.29 119.29 2kkv s HIS 116 Ca -0.14 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.43 2kkv s HIS 116 Cb 0.01 -1.57 0.00 0.00 1.11 0.00 0.00 32.58 32.13 2kkv s HIS 116 CO 0.48 0.04 0.00 0.72 -0.85 0.00 0.00 174.74 175.13 2kkv n HIS 117 N 2.44 0.00 -2.28 1.40 8.25 -1.26 -4.93 115.22 118.85 2kkv n HIS 117 Ca -0.17 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.89 2kkv n HIS 117 Cb 0.52 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.59 2kkv n HIS 117 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kkv s HIS 118 N 0.00 3.30 0.05 4.41 5.65 -1.26 -5.03 115.29 122.41 2kkv s HIS 118 Ca 0.00 1.46 0.03 0.00 0.25 0.00 0.00 55.06 56.79 2kkv s HIS 118 Cb 0.00 -3.51 -0.03 0.00 -1.18 0.00 0.00 32.58 27.86 2kkv s HIS 118 CO 0.00 -1.39 -0.09 -3.38 -0.65 0.00 0.00 174.74 169.22 2kkv s HIS 119 N -0.73 0.82 0.52 3.88 -3.43 -1.26 -4.97 115.29 110.12 2kkv s HIS 119 Ca 0.50 -0.51 0.05 0.00 -0.80 0.00 0.00 55.06 54.30 2kkv s HIS 119 Cb -0.36 -0.48 0.03 0.00 -1.43 0.00 0.00 32.58 30.34 2kkv s HIS 119 CO 0.44 -0.05 0.36 -1.01 -2.00 0.00 0.00 174.74 172.48 2kkv s HIS 120 N -1.46 1.78 0.00 0.38 3.76 -1.26 -5.23 115.29 113.26 2kkv s HIS 120 Ca -0.07 -0.81 0.00 0.00 -0.15 0.00 0.00 55.06 54.03 2kkv s HIS 120 Cb -0.09 -1.92 0.00 0.00 1.11 0.00 0.00 32.58 31.68 2kkv s HIS 120 CO 0.01 -0.37 0.00 1.58 -0.85 0.00 0.00 174.74 175.11