#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkv h GLU 2 N 0.00 0.05 -3.78 0.03 5.08 -2.08 -3.37 114.58 110.51 2kkv h GLU 2 Ca 0.00 -0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 2kkv h GLU 2 Cb 0.00 -0.01 -0.40 0.00 0.50 0.00 0.00 28.75 28.84 2kkv h GLU 2 CO 0.00 0.03 -0.73 1.21 -1.00 0.00 0.00 179.01 178.53 2kkv s ASN 3 N -5.23 4.22 -0.24 1.42 3.84 -1.26 -5.07 114.94 112.63 2kkv s ASN 3 Ca -0.13 -2.17 -0.01 0.00 0.21 0.00 0.00 52.86 50.76 2kkv s ASN 3 Cb 0.09 -1.23 0.07 0.00 -0.55 0.00 0.00 41.25 39.62 2kkv s ASN 3 CO 0.68 -0.35 0.02 -0.94 -2.79 0.00 0.00 177.10 173.72 2kkv s SER 4 N 0.91 3.54 -0.13 -4.21 1.04 -1.26 -5.12 113.70 108.46 2kkv s SER 4 Ca 0.13 -1.16 -0.04 0.00 0.48 0.00 0.00 55.95 55.35 2kkv s SER 4 Cb -0.20 -0.89 -0.03 0.00 0.10 0.00 0.00 66.02 64.99 2kkv s SER 4 CO -0.11 -0.31 0.02 -0.83 0.98 0.00 0.00 173.24 172.99 2kkv s GLY 5 N 1.61 1.86 -0.17 7.32 0.00 -1.26 -5.02 107.32 111.66 2kkv s GLY 5 Ca -0.00 -0.78 -0.26 0.00 0.00 0.00 0.00 44.72 43.68 2kkv s GLY 5 CO -0.11 -0.26 0.52 0.00 0.00 0.00 0.00 173.10 173.25 2kkv h ALA 6 N 5.94 0.12 -0.33 3.20 0.00 -2.01 -3.33 119.26 122.84 2kkv h ALA 6 Ca -0.43 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 53.66 2kkv h ALA 6 Cb 1.19 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2kkv h ALA 6 CO 0.61 0.32 0.00 2.48 0.00 0.00 0.00 179.25 182.66 2kkv n TYR 7 N -4.53 0.65 -2.29 0.00 4.11 -1.26 -4.79 117.16 109.05 2kkv n TYR 7 Ca -0.20 -0.27 -0.42 0.00 -0.00 0.00 0.00 57.90 57.01 2kkv n TYR 7 Cb 0.57 -0.10 -0.03 0.00 -0.00 0.00 0.00 39.34 39.79 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 -1.63 3.68 0.16 -3.48 2.01 -1.25 -4.94 115.64 110.19 2kkv s THR 8 Ca 0.25 1.19 -0.17 0.00 0.31 0.00 0.00 61.69 63.27 2kkv s THR 8 Cb 0.15 -3.76 0.03 0.00 0.01 0.00 0.00 72.50 68.93 2kkv s THR 8 CO 0.13 0.08 1.72 0.15 -0.69 0.00 0.00 174.62 176.02 2kkv h PHE 9 N 6.94 0.08 -0.47 4.92 3.04 -1.93 -1.52 116.94 128.01 2kkv h PHE 9 Ca -0.41 0.02 0.07 0.00 3.98 0.00 0.00 57.97 61.63 2kkv h PHE 9 Cb 1.21 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.70 2kkv h PHE 9 CO 0.68 -0.00 0.32 0.93 -2.02 0.00 0.00 178.31 178.21 2kkv h GLU 10 N 0.17 0.34 -0.30 1.11 3.07 -1.97 0.12 114.58 117.12 2kkv h GLU 10 Ca 0.17 -0.02 -0.18 0.00 -0.50 0.00 0.00 59.36 58.83 2kkv h GLU 10 Cb 0.20 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.03 2kkv h GLU 10 CO -0.23 0.23 -0.50 1.15 -1.40 0.00 0.00 179.01 178.25 2kkv h THR 11 N 0.35 1.28 -0.13 1.13 2.02 -1.59 -2.47 112.91 113.51 2kkv h THR 11 Ca 0.21 -1.69 -0.13 0.00 0.77 0.00 0.00 66.41 65.57 2kkv h THR 11 Cb 0.37 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2kkv h THR 11 CO -0.05 0.55 -0.50 0.40 0.37 0.00 0.00 175.52 176.29 2kkv h ILE 12 N 0.66 1.34 0.00 3.11 2.04 -0.57 -2.62 117.51 121.48 2kkv h ILE 12 Ca 0.03 -1.73 -0.05 0.00 1.00 0.00 0.00 64.86 64.10 2kkv h ILE 12 Cb 1.10 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 2kkv h ILE 12 CO 0.11 0.52 -0.24 0.00 0.00 0.00 0.00 178.15 178.55 2kkv h ALA 13 N 1.21 1.49 -0.03 1.87 0.00 -0.70 -2.32 119.26 120.77 2kkv h ALA 13 Ca 0.01 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 2kkv h ALA 13 Cb 0.97 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2kkv h ALA 13 CO 0.08 0.29 -0.31 -0.09 0.00 0.00 0.00 179.25 179.23 2kkv h ARG 14 N 0.00 0.06 0.21 0.00 2.43 -1.04 -2.41 114.38 113.63 2kkv h ARG 14 Ca -0.00 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2kkv h ARG 14 Cb 0.45 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 2kkv h ARG 14 CO 0.03 0.37 -0.41 1.49 -1.51 0.00 0.00 179.97 179.93 2kkv h GLU 15 N 0.05 -0.68 0.11 0.20 4.22 -1.42 0.42 114.58 117.48 2kkv h GLU 15 Ca 0.01 0.05 -0.27 0.00 0.08 0.00 0.00 59.36 59.23 2kkv h GLU 15 Cb 0.58 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2kkv h GLU 15 CO 0.04 -0.46 -1.19 0.11 -2.18 0.00 0.00 179.01 175.34 2kkv h TRP 16 N -0.71 0.52 0.00 0.92 5.08 -1.71 -3.30 115.95 116.75 2kkv h TRP 16 Ca 0.00 -0.36 -0.04 0.00 1.08 0.00 0.00 58.89 59.58 2kkv h TRP 16 Cb 0.70 -0.03 -0.01 0.00 -3.00 0.00 0.00 29.16 26.82 2kkv h TRP 16 CO -0.32 1.26 -0.17 1.25 -1.28 0.00 0.00 178.44 179.17 2kkv h HIS 17 N 0.10 0.00 -0.44 0.12 2.76 -1.14 -3.05 115.15 113.50 2kkv h HIS 17 Ca -0.13 0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.17 2kkv h HIS 17 Cb 1.90 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.84 2kkv h HIS 17 CO 0.06 0.17 0.46 1.49 -1.30 0.00 0.00 177.93 178.82 2kkv h GLU 18 N 0.00 0.00 -0.04 5.26 4.57 -0.24 0.97 114.58 125.10 2kkv h GLU 18 Ca -0.00 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2kkv h GLU 18 Cb 0.59 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.18 2kkv h GLU 18 CO 0.02 0.00 0.07 1.03 -1.18 0.00 0.00 179.01 178.95 2kkv h SER 19 N 0.00 0.00 0.00 1.04 0.87 -1.77 -1.41 113.55 112.27 2kkv h SER 19 Ca 0.21 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2kkv h SER 19 Cb 1.13 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2kkv h SER 19 CO -0.00 0.00 -0.17 0.59 -0.53 0.00 0.00 176.83 176.72 2kkv n ASN 20 N -3.49 2.09 -3.84 6.23 3.02 0.33 -5.04 115.26 114.56 2kkv n ASN 20 Ca -0.02 -3.30 -0.14 0.00 -0.03 0.00 0.00 54.58 51.09 2kkv n ASN 20 Cb 0.15 -0.45 -0.08 0.00 -0.61 0.00 0.00 39.78 38.78 2kkv n ASN 20 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2kkv s LYS 21 N -2.89 1.47 0.23 3.52 -0.14 -0.53 -5.14 119.74 116.25 2kkv s LYS 21 Ca 0.33 -1.72 0.08 0.00 -1.36 0.00 0.00 55.97 53.30 2kkv s LYS 21 Cb 0.30 0.32 -0.05 0.00 -1.68 0.00 0.00 37.83 36.73 2kkv s LYS 21 CO -0.00 -0.53 -0.13 1.03 -0.76 0.00 0.00 175.35 174.95 2kkv s ARG 22 N -3.83 1.41 -0.91 1.68 3.00 -1.26 -4.88 118.95 114.16 2kkv s ARG 22 Ca 0.37 -1.65 -0.25 0.00 0.00 0.00 0.00 55.73 54.21 2kkv s ARG 22 Cb 0.04 -1.20 -0.06 0.00 0.00 0.00 0.00 34.95 33.73 2kkv s ARG 22 CO 0.17 0.17 1.99 -1.58 0.00 0.00 0.00 175.30 176.05 2kkv s TRP 23 N -2.93 1.76 -0.29 -0.53 0.51 -1.26 -4.83 118.94 111.37 2kkv s TRP 23 Ca 0.25 0.74 -0.02 0.00 -2.12 0.00 0.00 56.10 54.95 2kkv s TRP 23 Cb -0.00 -3.99 0.12 0.00 -0.81 0.00 0.00 33.47 28.79 2kkv s TRP 23 CO 0.09 -1.70 0.22 -1.12 -0.51 0.00 0.00 176.95 173.93 2kkv s SER 24 N 8.20 2.48 0.47 2.95 0.01 -1.26 -5.02 113.70 121.53 2kkv s SER 24 Ca 0.72 -0.97 0.14 0.00 1.31 0.00 0.00 55.95 57.14 2kkv s SER 24 Cb -0.07 0.13 1.09 0.00 0.21 0.00 0.00 66.02 67.38 2kkv s SER 24 CO 0.01 -0.41 2.06 -0.33 0.41 0.00 0.00 173.24 174.98 2kkv h GLU 25 N 8.33 0.07 -0.50 12.44 3.07 -1.99 -1.07 114.58 134.94 2kkv h GLU 25 Ca -0.16 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.67 2kkv h GLU 25 Cb 1.05 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.92 2kkv h GLU 25 CO 0.38 0.13 0.24 -0.44 -1.40 0.00 0.00 179.01 177.92 2kkv h ASP 26 N 0.07 0.65 -0.61 1.42 3.32 -1.99 0.15 116.42 119.43 2kkv h ASP 26 Ca 0.02 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 2kkv h ASP 26 Cb 0.15 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 2kkv h ASP 26 CO 0.01 0.59 0.17 0.45 -1.72 0.00 0.00 179.24 178.74 2kkv h HIS 27 N 0.66 1.00 -0.35 4.55 3.86 -1.71 -1.96 115.15 121.19 2kkv h HIS 27 Ca 0.17 -0.11 0.03 0.00 -1.16 0.00 0.00 60.37 59.30 2kkv h HIS 27 Cb 0.11 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.26 2kkv h HIS 27 CO -0.01 0.83 0.15 -0.09 0.86 0.00 0.00 177.93 179.68 2kkv h ARG 28 N 0.87 0.30 -0.48 2.45 2.43 -0.78 0.40 114.38 119.58 2kkv h ARG 28 Ca 0.19 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 2kkv h ARG 28 Cb 0.32 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2kkv h ARG 28 CO -0.00 0.20 0.01 0.77 -1.51 0.00 0.00 179.97 179.44 2kkv h SER 29 N 0.31 0.76 0.16 -3.80 0.02 -0.43 -0.19 113.55 110.38 2kkv h SER 29 Ca 0.15 -0.18 -0.24 0.00 -0.84 0.00 0.00 61.79 60.69 2kkv h SER 29 Cb 0.10 -0.20 0.02 0.00 0.14 0.00 0.00 62.40 62.46 2kkv h SER 29 CO -0.13 0.82 -1.09 0.03 -1.14 0.00 0.00 176.83 175.32 2kkv h ARG 30 N 0.74 0.34 0.00 3.45 3.08 -1.11 -3.22 114.38 117.67 2kkv h ARG 30 Ca 0.15 -0.58 -0.04 0.00 0.07 0.00 0.00 59.98 59.57 2kkv h ARG 30 Cb 0.43 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 2kkv h ARG 30 CO 0.02 1.28 -0.21 0.28 -1.07 0.00 0.00 179.97 180.26 2kkv h VAL 31 N -0.24 0.84 -0.80 2.04 2.07 -0.93 -2.29 116.25 116.93 2kkv h VAL 31 Ca -0.20 -0.83 0.06 0.00 0.82 0.00 0.00 66.70 66.54 2kkv h VAL 31 Cb 1.78 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 33.00 2kkv h VAL 31 CO 0.16 0.21 0.52 0.25 0.02 0.00 0.00 177.57 178.73 2kkv h LEU 32 N 0.00 0.78 -0.41 2.57 6.46 -1.04 0.14 115.31 123.81 2kkv h LEU 32 Ca -0.00 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.66 2kkv h LEU 32 Cb 0.48 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 2kkv h LEU 32 CO 0.03 0.51 -0.14 -0.09 -0.62 0.00 0.00 178.44 178.13 2kkv h ARG 33 N 0.89 0.82 -0.46 1.25 2.43 -1.45 0.11 114.38 117.98 2kkv h ARG 33 Ca 0.34 -0.34 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2kkv h ARG 33 Cb 0.20 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2kkv h ARG 33 CO -0.12 0.96 0.16 -0.92 -1.51 0.00 0.00 179.97 178.54 2kkv h TYR 34 N 0.64 0.73 -0.12 2.20 3.20 -1.38 -0.61 116.97 121.63 2kkv h TYR 34 Ca 0.10 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 61.93 2kkv h TYR 34 Cb 0.69 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 2kkv h TYR 34 CO 0.05 0.64 -0.04 1.25 -1.64 0.00 0.00 178.16 178.43 2kkv h LEU 35 N 0.60 -0.13 0.49 2.82 5.85 -0.51 -1.81 115.31 122.62 2kkv h LEU 35 Ca 0.15 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 2kkv h LEU 35 Cb 0.25 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2kkv h LEU 35 CO -0.01 -0.05 -0.23 -0.08 -0.34 0.00 0.00 178.44 177.73 2kkv h GLU 36 N -0.01 -0.63 0.00 1.25 4.81 -0.61 0.18 114.58 119.56 2kkv h GLU 36 Ca 0.06 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 2kkv h GLU 36 Cb 0.10 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2kkv h GLU 36 CO -0.13 -0.39 -0.22 -0.07 -0.73 0.00 0.00 179.01 177.47 2kkv h LEU 37 N -0.72 0.00 0.00 1.64 3.38 -1.07 -0.68 115.31 117.86 2kkv h LEU 37 Ca -0.07 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.61 2kkv h LEU 37 Cb 0.54 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 2kkv h LEU 37 CO 0.11 0.22 -2.10 -1.22 0.09 0.00 0.00 178.44 175.54 2kkv n TYR 38 N -3.70 0.00 -0.06 1.13 4.02 -0.69 -4.25 117.16 113.61 2kkv n TYR 38 Ca -0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.76 2kkv n TYR 38 Cb 0.34 -0.76 -0.14 0.00 -0.02 0.00 0.00 39.34 38.75 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 -2.90 1.53 -2.75 -0.72 2.08 0.61 -4.55 119.36 112.67 2kkv n ILE 39 Ca -0.32 -0.77 -0.23 0.00 0.56 0.00 0.00 62.75 61.99 2kkv n ILE 39 Cb 0.92 -0.97 -0.01 0.00 -0.75 0.00 0.00 39.64 38.83 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 -3.02 2.89 0.15 1.39 3.72 -0.28 -4.90 117.46 117.41 2kkv n PHE 40 Ca -0.29 -3.45 -0.11 0.00 -0.05 0.00 0.00 57.45 53.55 2kkv n PHE 40 Cb 1.08 -0.30 -0.07 0.00 -0.94 0.00 0.00 39.48 39.25 2kkv n PHE 40 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2kkv h PRO 41 N 2.83 -0.42 -0.02 -1.08 0.11 -1.70 -2.98 132.00 128.74 2kkv h PRO 41 Ca 0.16 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2kkv h PRO 41 Cb 0.83 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2kkv h PRO 41 CO 0.74 -0.10 -0.17 0.72 -0.21 0.00 0.00 178.00 178.99 2kkv n HIS 42 N -5.09 0.00 -0.46 0.65 8.25 -1.26 -4.46 115.22 112.85 2kkv n HIS 42 Ca -0.08 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.44 2kkv n HIS 42 Cb 0.26 0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.54 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 0.44 1.45 0.64 1.59 -5.35 -1.25 -4.64 119.36 112.24 2kkv n ILE 43 Ca 0.08 -1.35 0.06 0.00 -0.27 0.00 0.00 62.75 61.28 2kkv n ILE 43 Cb 0.39 0.22 0.33 0.00 -1.74 0.00 0.00 39.64 38.84 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 -0.05 -0.64 0.28 3.28 0.00 -1.12 -1.85 105.19 105.09 2kkv n GLY 44 Ca 0.13 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.24 2kkv n GLY 44 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kkv n SER 45 N -1.23 0.90 -4.74 1.61 7.64 -1.26 -4.87 113.62 111.67 2kkv n SER 45 Ca 0.07 -1.18 -0.40 0.00 1.01 0.00 0.00 58.87 58.36 2kkv n SER 45 Cb 0.09 -0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.24 2kkv n SER 45 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2kkv s SER 46 N -2.11 7.33 -0.05 6.43 0.01 -0.77 -5.05 113.70 119.48 2kkv s SER 46 Ca 0.38 1.59 -0.06 0.00 1.31 0.00 0.00 55.95 59.18 2kkv s SER 46 Cb 0.21 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.88 2kkv s SER 46 CO 0.38 -0.01 0.19 -0.62 0.41 0.00 0.00 173.24 173.59 2kkv s ASP 47 N -0.09 6.42 0.66 2.44 -1.08 -1.26 -4.99 116.67 118.77 2kkv s ASP 47 Ca 0.42 0.47 0.41 0.00 -0.52 0.00 0.00 52.55 53.33 2kkv s ASP 47 Cb -0.22 -2.06 2.27 0.00 -1.46 0.00 0.00 42.92 41.45 2kkv s ASP 47 CO 0.26 0.33 2.29 -0.29 0.52 0.00 0.00 175.17 178.28 2kkv h ILE 48 N 3.40 0.03 0.00 4.11 2.10 -1.97 -0.32 117.51 124.87 2kkv h ILE 48 Ca -0.52 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.41 2kkv h ILE 48 Cb 1.21 0.94 -0.00 0.00 -1.09 0.00 0.00 36.82 37.88 2kkv h ILE 48 CO 0.63 0.00 -0.06 0.08 -1.08 0.00 0.00 178.15 177.72 2kkv h ARG 49 N 0.00 0.00 -1.99 2.19 0.11 -1.94 -3.36 114.38 109.39 2kkv h ARG 49 Ca 0.00 0.00 -0.44 0.00 0.10 0.00 0.00 59.98 59.64 2kkv h ARG 49 Cb 0.13 0.00 -0.32 0.00 1.11 0.00 0.00 29.97 30.89 2kkv h ARG 49 CO -0.00 0.06 -0.79 -1.14 0.10 0.00 0.00 179.97 178.20 2kkv s GLN 50 N -3.86 0.84 0.46 0.08 2.00 -0.13 -4.58 119.66 114.46 2kkv s GLN 50 Ca -0.01 -1.50 -0.21 0.00 -2.00 0.00 0.00 55.36 51.65 2kkv s GLN 50 Cb 0.11 -0.94 -0.10 0.00 0.80 0.00 0.00 33.01 32.88 2kkv s GLN 50 CO 0.55 -1.31 0.99 -1.17 -0.50 0.00 0.00 175.29 173.84 2kkv s LEU 51 N 0.67 3.89 0.54 3.68 1.98 -1.25 -4.40 118.68 123.79 2kkv s LEU 51 Ca 0.27 1.79 0.02 0.00 -2.89 0.00 0.00 54.13 53.32 2kkv s LEU 51 Cb -0.04 -4.55 0.03 0.00 0.66 0.00 0.00 46.19 42.29 2kkv s LEU 51 CO -0.10 -0.55 0.75 -0.54 -1.89 0.00 0.00 176.35 174.02 2kkv s LYS 52 N -3.22 2.55 1.08 1.98 1.02 -1.26 -4.78 119.74 117.11 2kkv s LYS 52 Ca 0.64 -0.89 -0.18 0.00 0.02 0.00 0.00 55.97 55.56 2kkv s LYS 52 Cb -0.12 -2.53 0.26 0.00 -0.52 0.00 0.00 37.83 34.92 2kkv s LYS 52 CO 0.16 -0.67 1.14 2.41 -0.92 0.00 0.00 175.35 177.47 2kkv n THR 53 N -2.28 0.00 0.70 2.17 -1.04 -1.26 -4.01 114.28 108.56 2kkv n THR 53 Ca 0.08 -0.65 0.00 0.00 -2.04 0.00 0.00 64.05 61.44 2kkv n THR 53 Cb 0.60 -1.35 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 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 -4.40 0.10 0.17 8.00 7.64 -1.26 -2.86 113.62 121.01 2kkv n SER 54 Ca 0.15 -0.80 0.04 0.00 1.01 0.00 0.00 58.87 59.27 2kkv n SER 54 Cb 0.56 -0.05 0.23 0.00 -1.01 0.00 0.00 64.21 63.93 2kkv n SER 54 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 2kkv h HIS 55 N 0.15 0.00 0.00 1.43 -0.00 -1.96 -2.71 115.15 112.06 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 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.46 2kkv h HIS 55 CO 0.00 0.44 0.00 1.47 -0.00 0.00 0.00 177.93 179.84 2kkv n LEU 56 N -3.43 0.51 0.20 6.12 -0.00 -1.14 -2.74 117.00 116.53 2kkv n LEU 56 Ca 0.00 0.65 0.14 0.00 -0.00 0.00 0.00 56.01 56.80 2kkv n LEU 56 Cb 0.59 -0.60 0.51 0.00 -0.00 0.00 0.00 43.42 43.92 2kkv n LEU 56 CO 0.38 -0.57 0.91 0.25 -0.00 0.00 0.00 177.39 178.36 2kkv h LEU 57 N 0.00 0.00 -0.27 1.47 5.85 -1.75 -3.34 115.31 117.28 2kkv h LEU 57 Ca 0.00 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.78 2kkv h LEU 57 Cb 0.27 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 2kkv h LEU 57 CO 0.00 0.00 -0.19 0.00 -0.34 0.00 0.00 178.44 177.91 2kkv h ALA 58 N 2.15 -0.01 -0.54 1.25 0.00 -1.72 -1.62 119.26 118.76 2kkv h ALA 58 Ca 0.00 0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.11 2kkv h ALA 58 Cb 0.57 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 18.69 2kkv h ALA 58 CO 0.00 -0.60 -0.03 -1.35 0.00 0.00 0.00 179.25 177.27 2kkv h PRO 59 N -0.17 0.08 -0.09 0.00 0.11 -1.85 -1.03 132.00 129.05 2kkv h PRO 59 Ca 0.15 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.20 2kkv h PRO 59 Cb 0.39 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 2kkv h PRO 59 CO -0.37 0.05 -0.17 0.82 -0.21 0.00 0.00 178.00 178.13 2kkv h ILE 60 N 0.08 1.17 0.00 4.15 5.03 -1.66 -2.49 117.51 123.79 2kkv h ILE 60 Ca 0.27 -0.77 -0.04 0.00 -0.12 0.00 0.00 64.86 64.20 2kkv h ILE 60 Cb 0.43 1.29 -0.01 0.00 -3.03 0.00 0.00 36.82 35.50 2kkv h ILE 60 CO -0.48 0.23 -0.20 0.11 -0.68 0.00 0.00 178.15 177.13 2kkv h LYS 61 N 0.13 0.00 -0.39 2.37 1.79 -0.24 -0.88 116.57 119.34 2kkv h LYS 61 Ca 0.03 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.54 2kkv h LYS 61 Cb 0.38 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.99 2kkv h LYS 61 CO 0.02 0.20 0.13 1.49 -1.08 0.00 0.00 179.45 180.22 2kkv h GLU 62 N 0.00 0.28 0.03 3.15 4.81 -1.17 0.95 114.58 122.63 2kkv h GLU 62 Ca -0.00 -0.02 -0.23 0.00 -0.13 0.00 0.00 59.36 58.98 2kkv h GLU 62 Cb 0.61 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 2kkv h GLU 62 CO 0.03 0.19 -1.00 0.28 -0.73 0.00 0.00 179.01 177.78 2kkv h VAL 63 N 0.29 1.47 0.04 0.32 2.07 -1.57 -3.24 116.25 115.63 2kkv h VAL 63 Ca 0.18 -2.71 0.03 0.00 0.82 0.00 0.00 66.70 65.02 2kkv h VAL 63 Cb 0.17 2.59 -0.04 0.00 -1.52 0.00 0.00 31.29 32.49 2kkv h VAL 63 CO -0.19 0.79 -0.26 -0.78 0.02 0.00 0.00 177.57 177.15 2kkv h ASP 64 N 0.14 -0.76 0.40 0.57 1.82 -0.79 -2.30 116.42 115.49 2kkv h ASP 64 Ca -0.08 0.10 -0.02 0.00 -0.39 0.00 0.00 57.03 56.64 2kkv h ASP 64 Cb 1.66 0.30 -0.00 0.00 0.68 0.00 0.00 39.33 41.97 2kkv h ASP 64 CO 0.16 -0.33 -0.09 0.71 -1.61 0.00 0.00 179.24 178.07 2kkv h THR 65 N -0.42 0.44 0.00 2.25 1.35 -0.90 -0.21 112.91 115.43 2kkv h THR 65 Ca 0.05 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2kkv h THR 65 Cb 0.49 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 2kkv h THR 65 CO -0.20 0.09 0.00 -1.20 -0.25 0.00 0.00 175.52 173.96 2kkv n SER 66 N -3.52 0.23 0.00 5.36 7.64 -0.90 -4.83 113.62 117.60 2kkv n SER 66 Ca -0.02 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.41 2kkv n SER 66 Cb 0.23 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 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 0.24 1.33 1.11 0.23 0.00 -0.13 -4.98 105.19 103.00 2kkv n GLY 67 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 2.14 0.15 1.61 4.76 -1.01 -4.14 118.16 121.67 2kkv n LYS 68 Ca 0.00 -1.10 0.10 0.00 -2.87 0.00 0.00 58.31 54.44 2kkv n LYS 68 Cb 0.00 -1.68 0.53 0.00 -1.84 0.00 0.00 35.03 32.04 2kkv n LYS 68 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 2kkv n HIS 69 N 0.14 0.68 0.01 2.13 1.44 -0.94 -0.99 115.22 117.68 2kkv n HIS 69 Ca 0.13 0.34 -0.13 0.00 -2.01 0.00 0.00 57.72 56.05 2kkv n HIS 69 Cb 0.67 -1.05 -0.09 0.00 0.12 0.00 0.00 29.99 29.64 2kkv n HIS 69 CO 0.00 0.00 0.00 0.38 -2.81 0.00 0.00 176.34 173.91 2kkv h ASP 70 N 0.00 -0.03 0.17 4.39 2.03 -1.89 -1.34 116.42 119.76 2kkv h ASP 70 Ca 0.00 -0.39 -0.23 0.00 -0.73 0.00 0.00 57.03 55.68 2kkv h ASP 70 Cb 0.04 0.01 0.01 0.00 -0.83 0.00 0.00 39.33 38.55 2kkv h ASP 70 CO 0.00 0.38 -0.93 -0.37 -1.03 0.00 0.00 179.24 177.29 2kkv h VAL 71 N -0.43 1.35 0.73 4.15 -1.51 -1.79 -3.27 116.25 115.48 2kkv h VAL 71 Ca -0.00 -2.30 -0.04 0.00 -1.23 0.00 0.00 66.70 63.13 2kkv h VAL 71 Cb 0.41 2.32 0.01 0.00 -2.13 0.00 0.00 31.29 31.90 2kkv h VAL 71 CO 0.01 0.70 -0.35 0.00 -1.23 0.00 0.00 177.57 176.69 2kkv h ALA 72 N 0.65 -0.99 -0.37 5.19 0.00 -1.07 0.03 119.26 122.70 2kkv h ALA 72 Ca -0.08 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.64 2kkv h ALA 72 Cb 1.56 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 19.70 2kkv h ALA 72 CO 0.17 -1.05 0.17 0.37 0.00 0.00 0.00 179.25 178.91 2kkv h GLN 73 N -0.99 0.35 -0.28 0.00 5.75 -1.40 0.29 115.11 118.82 2kkv h GLN 73 Ca -0.10 -0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.43 2kkv h GLN 73 Cb 0.76 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 29.18 2kkv h GLN 73 CO 0.17 0.23 -0.01 0.00 -2.65 0.00 0.00 178.83 176.56 2kkv h ARG 74 N 0.36 0.07 -0.06 1.69 2.47 -1.59 -1.70 114.38 115.61 2kkv h ARG 74 Ca 0.16 -0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.68 2kkv h ARG 74 Cb 0.08 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.38 2kkv h ARG 74 CO -0.12 0.05 -0.77 -0.07 0.56 0.00 0.00 179.97 179.61 2kkv h LEU 75 N 0.07 0.50 -0.18 3.04 3.38 -0.43 -3.09 115.31 118.59 2kkv h LEU 75 Ca 0.13 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 2kkv h LEU 75 Cb 0.18 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2kkv h LEU 75 CO -0.24 1.09 -0.26 0.06 0.09 0.00 0.00 178.44 179.18 2kkv h GLN 76 N 0.27 0.50 0.00 1.13 -0.00 -0.30 -2.83 115.11 113.88 2kkv h GLN 76 Ca -0.04 -0.30 0.00 0.00 -0.00 0.00 0.00 58.65 58.31 2kkv h GLN 76 Cb 1.36 0.03 0.00 0.00 -0.00 0.00 0.00 27.48 28.87 2kkv h GLN 76 CO 0.13 0.89 0.00 0.37 -0.00 0.00 0.00 178.83 180.22 2kkv h GLN 77 N 0.16 0.00 0.00 0.06 4.15 -1.39 -2.69 115.11 115.40 2kkv h GLN 77 Ca 0.02 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 2kkv h GLN 77 Cb 0.84 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.52 2kkv h GLN 77 CO 0.06 0.00 -0.17 -0.09 -1.93 0.00 0.00 178.83 176.70 2kkv h ARG 78 N 0.00 0.00 -0.13 1.69 9.65 -1.41 -2.45 114.38 121.74 2kkv h ARG 78 Ca 0.00 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.82 2kkv h ARG 78 Cb 0.31 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 2kkv h ARG 78 CO 0.00 0.17 -0.18 -0.24 2.80 0.00 0.00 179.97 182.53 2kkv h VAL 79 N 0.00 1.19 -0.10 0.20 3.04 -1.60 -1.35 116.25 117.63 2kkv h VAL 79 Ca -0.00 -0.87 -0.01 0.00 -1.01 0.00 0.00 66.70 64.80 2kkv h VAL 79 Cb 0.36 1.29 -0.01 0.00 -2.01 0.00 0.00 31.29 30.93 2kkv h VAL 79 CO 0.02 0.27 0.00 0.74 -1.01 0.00 0.00 177.57 177.59 2kkv h THR 80 N 0.19 1.06 -0.02 3.17 2.02 -1.64 -1.32 112.91 116.38 2kkv h THR 80 Ca 0.04 -0.24 -0.22 0.00 0.77 0.00 0.00 66.41 66.76 2kkv h THR 80 Cb 0.43 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 2kkv h THR 80 CO 0.03 0.08 -0.89 0.00 0.37 0.00 0.00 175.52 175.11 2kkv h ALA 81 N 1.87 0.42 -0.43 6.16 0.00 -1.36 -3.09 119.26 122.83 2kkv h ALA 81 Ca 0.03 -0.68 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 2kkv h ALA 81 Cb 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2kkv h ALA 81 CO 0.00 0.80 0.14 0.82 0.00 0.00 0.00 179.25 181.01 2kkv h ILE 82 N 0.25 1.18 -0.30 0.00 2.04 -0.93 -2.13 117.51 117.62 2kkv h ILE 82 Ca -0.07 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 2kkv h ILE 82 Cb 1.51 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 2kkv h ILE 82 CO 0.15 0.22 0.18 0.24 0.00 0.00 0.00 178.15 178.95 2kkv h MET 83 N 0.61 0.40 -0.06 2.37 2.86 -1.22 -1.50 114.93 118.39 2kkv h MET 83 Ca 0.15 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.66 2kkv h MET 83 Cb 0.18 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 2kkv h MET 83 CO -0.01 0.28 -0.39 0.00 1.06 0.00 0.00 176.91 177.85 2kkv h ARG 84 N 0.41 0.13 0.00 1.72 3.08 -1.42 0.55 114.38 118.85 2kkv h ARG 84 Ca 0.11 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.97 2kkv h ARG 84 Cb -0.02 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2kkv h ARG 84 CO -0.02 0.51 -0.63 1.88 -1.07 0.00 0.00 179.97 180.64 2kkv h TYR 85 N 0.12 0.00 -0.32 3.04 -1.99 -1.30 0.23 116.97 116.74 2kkv h TYR 85 Ca 0.01 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.58 2kkv h TYR 85 Cb 0.75 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.47 2kkv h TYR 85 CO 0.01 0.63 -0.45 0.00 -0.00 0.00 0.00 178.16 178.35 2kkv h ALA 86 N 1.37 0.61 -0.35 3.88 0.00 -0.84 -2.87 119.26 121.06 2kkv h ALA 86 Ca -0.01 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 2kkv h ALA 86 Cb 1.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2kkv h ALA 86 CO 0.08 0.68 -0.17 0.28 0.00 0.00 0.00 179.25 180.12 2kkv h VAL 87 N 0.66 1.26 -0.90 0.00 2.07 -0.61 0.19 116.25 118.91 2kkv h VAL 87 Ca 0.04 -1.20 0.13 0.00 0.82 0.00 0.00 66.70 66.49 2kkv h VAL 87 Cb 1.03 1.17 -0.09 0.00 -1.52 0.00 0.00 31.29 31.88 2kkv h VAL 87 CO 0.10 0.40 0.52 -0.61 0.02 0.00 0.00 177.57 178.00 2kkv h GLN 88 N 0.58 0.77 -0.32 1.57 -0.00 -0.41 0.60 115.11 117.90 2kkv h GLN 88 Ca 0.09 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 2kkv h GLN 88 Cb 0.62 -0.17 0.00 0.00 0.00 0.00 0.00 27.48 27.93 2kkv h GLN 88 CO 0.04 0.51 0.00 0.09 0.00 0.00 0.00 178.83 179.47 2kkv n ASN 89 N -4.75 2.70 -3.78 -0.69 3.02 -1.07 -4.93 115.26 105.77 2kkv n ASN 89 Ca 0.17 -1.89 -0.29 0.00 -0.03 0.00 0.00 54.58 52.54 2kkv n ASN 89 Cb 0.38 -0.20 0.02 0.00 -0.61 0.00 0.00 39.78 39.37 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 1.00 -4.80 0.13 6.41 2.03 0.20 -4.86 116.55 116.66 2kkv n ASP 90 Ca 0.18 -0.69 0.11 0.00 0.52 0.00 0.00 54.79 54.91 2kkv n ASP 90 Cb 0.48 -3.85 0.04 0.00 -0.72 0.00 0.00 41.12 37.08 2kkv n ASP 90 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2kkv h TYR 91 N -1.89 0.00 -3.05 -0.67 3.20 -0.91 -3.46 116.97 110.19 2kkv h TYR 91 Ca -0.56 0.00 -0.64 0.00 3.14 0.00 0.00 58.73 60.68 2kkv h TYR 91 Cb 1.36 0.00 -0.16 0.00 1.54 0.00 0.00 36.73 39.47 2kkv h TYR 91 CO 0.58 0.01 -0.77 0.96 -1.64 0.00 0.00 178.16 177.31 2kkv s ILE 92 N -3.32 2.80 -0.15 1.81 -4.36 -1.25 -4.72 121.20 112.02 2kkv s ILE 92 Ca 0.01 -1.85 0.12 0.00 -0.26 0.00 0.00 60.65 58.67 2kkv s ILE 92 Cb 0.08 -2.38 -0.18 0.00 1.25 0.00 0.00 42.46 41.24 2kkv s ILE 92 CO 0.76 -0.12 0.02 0.47 0.24 0.00 0.00 174.94 176.31 2kkv n ASP 93 N 0.11 1.46 -4.74 4.36 9.92 -1.26 -4.88 116.55 121.52 2kkv n ASP 93 Ca -0.11 -0.01 -0.23 0.00 -0.53 0.00 0.00 54.79 53.91 2kkv n ASP 93 Cb 0.56 0.71 -0.06 0.00 -0.64 0.00 0.00 41.12 41.69 2kkv n ASP 93 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2kkv s SER 94 N -4.99 4.89 -0.62 -2.24 0.01 -1.26 -5.09 113.70 104.40 2kkv s SER 94 Ca -0.10 -0.58 0.03 0.00 1.31 0.00 0.00 55.95 56.61 2kkv s SER 94 Cb 0.05 -0.95 0.15 0.00 0.21 0.00 0.00 66.02 65.49 2kkv s SER 94 CO 0.59 -0.15 0.40 0.20 0.41 0.00 0.00 173.24 174.69 2kkv s ASN 95 N -3.81 4.74 0.87 2.44 -0.87 -1.26 -5.00 114.94 112.06 2kkv s ASN 95 Ca 0.35 -3.31 -0.06 0.00 -1.57 0.00 0.00 52.86 48.26 2kkv s ASN 95 Cb -0.05 -1.69 0.11 0.00 -0.02 0.00 0.00 41.25 39.60 2kkv s ASN 95 CO 0.23 -0.20 0.68 -0.81 -2.57 0.00 0.00 177.10 174.42 2kkv n PRO 96 N 2.74 -0.44 -1.76 -0.60 -0.04 -1.26 -4.40 135.00 129.24 2kkv n PRO 96 Ca 0.11 -1.24 -0.20 0.00 -0.04 0.00 0.00 63.50 62.13 2kkv n PRO 96 Cb 0.34 -0.64 -0.07 0.00 -0.04 0.00 0.00 33.50 33.09 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 -3.32 -0.37 0.33 0.55 0.00 -1.26 -4.84 120.51 111.62 2kkv n ALA 97 Ca -0.11 0.29 0.12 0.00 0.00 0.00 0.00 53.44 53.74 2kkv n ALA 97 Cb 0.32 -2.03 0.08 0.00 0.00 0.00 0.00 19.45 17.81 2kkv n ALA 97 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kkv h SER 98 N 0.00 0.00 -2.15 0.00 0.87 -1.95 -3.39 113.55 106.93 2kkv h SER 98 Ca -0.43 -0.12 -0.59 0.00 -1.23 0.00 0.00 61.79 59.43 2kkv h SER 98 Cb 1.32 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.87 2kkv h SER 98 CO 0.60 0.06 -0.73 -0.67 -0.53 0.00 0.00 176.83 175.55 2kkv n ASP 99 N -2.41 2.92 -0.51 6.23 2.03 -1.26 -4.78 116.55 118.77 2kkv n ASP 99 Ca 0.02 -3.28 0.06 0.00 0.52 0.00 0.00 54.79 52.10 2kkv n ASP 99 Cb 0.50 -0.65 0.15 0.00 -0.72 0.00 0.00 41.12 40.39 2kkv n ASP 99 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2kkv n MET 100 N 0.85 2.74 -3.59 -0.67 2.81 -1.26 -4.71 117.12 113.28 2kkv n MET 100 Ca 0.28 -2.19 -0.20 0.00 -1.81 0.00 0.00 57.70 53.78 2kkv n MET 100 Cb 0.44 -1.38 -0.15 0.00 -0.71 0.00 0.00 33.22 31.42 2kkv n MET 100 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kkv s ALA 101 N -1.67 -0.05 0.00 3.04 0.00 -1.26 -4.93 121.76 116.89 2kkv s ALA 101 Ca 0.24 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.44 2kkv s ALA 101 Cb 0.17 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 22.25 2kkv s ALA 101 CO 0.09 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.33 2kkv n GLY 102 N 5.31 -0.08 2.77 0.00 0.00 -1.26 -5.09 105.19 106.84 2kkv n GLY 102 Ca -0.05 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.44 1.10 0.00 4.61 0.00 -1.26 -4.97 121.76 119.80 2kkv s ALA 103 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2kkv s ALA 103 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.97 2kkv s ALA 103 CO 0.00 -1.06 0.00 -0.11 0.00 0.00 0.00 175.76 174.59 2kkv n LEU 104 N 5.01 0.00 0.00 0.00 7.94 -1.26 -5.10 117.00 123.59 2kkv n LEU 104 Ca -0.09 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 2kkv n LEU 104 Cb 0.47 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.42 2kkv n LEU 104 CO 0.13 -0.40 0.00 -1.54 -1.11 0.00 0.00 177.39 174.47 2kkv n SER 105 N -2.21 0.00 -3.68 1.96 3.41 -1.26 -5.12 113.62 106.73 2kkv n SER 105 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 2kkv n SER 105 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 2kkv n SER 105 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2kkv s THR 106 N -0.33 -0.25 -0.03 6.66 2.01 -1.26 -5.14 115.64 117.30 2kkv s THR 106 Ca 0.00 0.33 -0.30 0.00 0.31 0.00 0.00 61.69 62.03 2kkv s THR 106 Cb 0.00 -0.31 0.07 0.00 0.01 0.00 0.00 72.50 72.28 2kkv s THR 106 CO 0.00 0.14 0.69 -0.89 -0.69 0.00 0.00 174.62 173.86 2kkv s THR 107 N 2.17 0.00 -0.05 -0.82 2.01 -1.26 -5.16 115.64 112.54 2kkv s THR 107 Ca 0.01 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.00 2kkv s THR 107 Cb -0.12 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.42 2kkv s THR 107 CO -0.06 0.00 0.04 -0.75 -0.69 0.00 0.00 174.62 173.16 2kkv s LYS 108 N -1.49 0.12 -0.01 4.92 2.36 -1.26 -4.94 119.74 119.44 2kkv s LYS 108 Ca -0.09 0.29 0.01 0.00 -2.55 0.00 0.00 55.97 53.62 2kkv s LYS 108 Cb -0.00 -0.62 0.02 0.00 -1.05 0.00 0.00 37.83 36.17 2kkv s LYS 108 CO 0.07 -0.31 0.34 0.00 1.55 0.00 0.00 175.35 177.00 2kkv n ALA 109 N 5.18 -0.24 -1.74 3.13 0.00 -1.26 -5.15 120.51 120.42 2kkv n ALA 109 Ca -0.06 -0.19 -0.37 0.00 0.00 0.00 0.00 53.44 52.82 2kkv n ALA 109 Cb 0.50 -0.32 0.05 0.00 0.00 0.00 0.00 19.45 19.68 2kkv n ALA 109 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kkv s ARG 110 N 0.01 2.80 -0.83 0.00 1.70 -1.26 -4.91 118.95 116.46 2kkv s ARG 110 Ca 0.00 2.03 -0.20 0.00 -0.47 0.00 0.00 55.73 57.09 2kkv s ARG 110 Cb 0.02 -1.96 0.11 0.00 -0.57 0.00 0.00 34.95 32.55 2kkv s ARG 110 CO -0.01 -1.39 1.07 -3.38 -1.08 0.00 0.00 175.30 170.51 2kkv s HIS 111 N -1.43 2.94 -0.42 5.89 -3.43 -1.26 -4.97 115.29 112.61 2kkv s HIS 111 Ca 0.79 -1.07 -0.06 0.00 -0.80 0.00 0.00 55.06 53.91 2kkv s HIS 111 Cb -0.36 -4.29 0.10 0.00 -1.43 0.00 0.00 32.58 26.60 2kkv s HIS 111 CO 0.39 -1.55 0.25 -0.47 -2.00 0.00 0.00 174.74 171.36 2kkv s TYR 112 N 3.23 3.47 0.65 0.38 5.04 -1.26 -5.10 117.35 123.76 2kkv s TYR 112 Ca 0.29 -2.03 -0.07 0.00 -2.44 0.00 0.00 57.07 52.82 2kkv s TYR 112 Cb -0.09 -3.19 0.03 0.00 0.35 0.00 0.00 41.96 39.05 2kkv s TYR 112 CO -0.02 -0.94 0.98 -1.25 -1.34 0.00 0.00 175.55 172.97 2kkv s PRO 113 N 1.28 2.66 -0.40 4.97 0.04 -1.26 -5.05 135.00 137.24 2kkv s PRO 113 Ca 0.06 0.00 0.05 0.00 0.04 0.00 0.00 61.00 61.15 2kkv s PRO 113 Cb -0.24 -2.19 0.32 0.00 0.04 0.00 0.00 34.50 32.43 2kkv s PRO 113 CO -0.02 -0.94 1.24 -0.11 0.04 0.00 0.00 177.00 177.21 2kkv n LEU 114 N -2.78 -1.86 0.00 -3.56 7.94 -1.26 -5.08 117.00 110.40 2kkv n LEU 114 Ca 0.06 -2.92 0.00 0.00 -1.11 0.00 0.00 56.01 52.04 2kkv n LEU 114 Cb 0.58 0.92 0.00 0.00 0.53 0.00 0.00 43.42 45.46 2kkv n LEU 114 CO 0.53 1.86 0.00 -0.62 -1.11 0.00 0.00 177.39 178.05 2kkv n GLU 115 N 0.35 0.00 -1.72 1.96 4.71 -1.26 -3.57 120.64 121.12 2kkv n GLU 115 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 56.74 2kkv n GLU 115 Cb 0.73 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 31.15 2kkv n GLU 115 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 2kkv n HIS 116 N 0.00 3.23 -3.32 -0.32 -0.00 -1.26 -4.63 115.22 108.92 2kkv n HIS 116 Ca 0.00 -2.98 -0.14 0.00 0.46 0.00 0.00 57.72 55.06 2kkv n HIS 116 Cb 0.00 -2.46 -0.06 0.00 -0.12 0.00 0.00 29.99 27.34 2kkv n HIS 116 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kkv s HIS 117 N 2.59 -0.53 -0.24 1.57 3.76 -1.23 -5.11 115.29 116.10 2kkv s HIS 117 Ca 0.51 -0.70 -0.00 0.00 -0.15 0.00 0.00 55.06 54.72 2kkv s HIS 117 Cb 0.14 -0.28 0.07 0.00 1.11 0.00 0.00 32.58 33.62 2kkv s HIS 117 CO -0.07 -1.01 -0.02 -1.01 -0.85 0.00 0.00 174.74 171.78 2kkv s HIS 118 N 1.42 2.10 -0.35 1.40 3.76 -1.26 -4.61 115.29 117.75 2kkv s HIS 118 Ca 0.18 -1.62 -0.12 0.00 -0.15 0.00 0.00 55.06 53.35 2kkv s HIS 118 Cb -0.12 -1.54 0.00 0.00 1.11 0.00 0.00 32.58 32.03 2kkv s HIS 118 CO -0.04 -0.76 0.21 -1.01 -0.85 0.00 0.00 174.74 172.30 2kkv s HIS 119 N 1.49 3.22 0.17 1.40 3.76 -1.26 -5.07 115.29 118.99 2kkv s HIS 119 Ca -0.03 -0.57 -0.19 0.00 -0.15 0.00 0.00 55.06 54.12 2kkv s HIS 119 Cb -0.18 -2.44 -0.08 0.00 1.11 0.00 0.00 32.58 30.99 2kkv s HIS 119 CO -0.08 -0.50 0.66 -1.58 -0.85 0.00 0.00 174.74 172.39 2kkv s HIS 120 N 1.64 3.70 0.00 1.40 2.46 -1.26 -5.29 115.29 117.94 2kkv s HIS 120 Ca 0.04 1.32 0.00 0.00 0.47 0.00 0.00 55.06 56.89 2kkv s HIS 120 Cb -0.18 -2.55 0.00 0.00 -0.13 0.00 0.00 32.58 29.72 2kkv s HIS 120 CO 0.08 0.43 0.08 -2.39 -2.47 0.00 0.00 174.74 170.47