#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 -1.09 -1.57 0.03 4.71 -1.26 -4.89 120.64 116.57 2kkv n GLU 2 Ca 0.00 0.78 -0.41 0.00 -0.01 0.00 0.00 57.16 57.52 2kkv n GLU 2 Cb 0.00 -4.85 -0.01 0.00 -1.01 0.00 0.00 31.44 25.57 2kkv n GLU 2 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2kkv n ASN 3 N -0.39 4.73 -2.24 1.62 4.13 -1.26 -4.24 115.26 117.62 2kkv n ASN 3 Ca -0.10 -2.76 -0.01 0.00 1.68 0.00 0.00 54.58 53.39 2kkv n ASN 3 Cb 0.42 -1.57 0.05 0.00 -1.54 0.00 0.00 39.78 37.13 2kkv n ASN 3 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2kkv n SER 4 N 5.68 1.84 0.00 6.41 7.64 -1.26 -5.04 113.62 128.89 2kkv n SER 4 Ca 0.57 -2.34 0.00 0.00 1.01 0.00 0.00 58.87 58.11 2kkv n SER 4 Cb 0.35 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 2kkv n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kkv n GLY 5 N -0.35 1.66 3.52 0.23 0.00 -1.26 -5.00 105.19 103.98 2kkv n GLY 5 Ca 0.12 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.22 -2.58 0.08 4.61 0.00 -1.26 -4.81 120.51 116.34 2kkv n ALA 6 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2kkv n ALA 6 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 19.45 16.20 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 -3.32 0.00 -1.44 0.00 0.18 -1.26 -4.69 117.16 106.63 2kkv n TYR 7 Ca -0.10 -0.68 -0.31 0.00 1.88 0.00 0.00 57.90 58.68 2kkv n TYR 7 Cb 0.59 -0.37 0.07 0.00 -0.38 0.00 0.00 39.34 39.25 2kkv n TYR 7 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 2kkv s THR 8 N 0.24 3.69 0.21 -3.48 2.01 -1.26 -3.78 115.64 113.27 2kkv s THR 8 Ca 0.00 0.55 -0.10 0.00 0.31 0.00 0.00 61.69 62.45 2kkv s THR 8 Cb 0.00 -3.19 0.15 0.00 0.01 0.00 0.00 72.50 69.47 2kkv s THR 8 CO 0.00 -0.72 1.72 0.15 -0.69 0.00 0.00 174.62 175.08 2kkv h PHE 9 N -0.91 0.27 -0.11 4.92 3.57 -1.86 -2.26 116.94 120.56 2kkv h PHE 9 Ca -0.44 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 60.96 2kkv h PHE 9 Cb 1.22 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 2kkv h PHE 9 CO 0.59 0.02 -0.52 1.49 -2.23 0.00 0.00 178.31 177.67 2kkv h GLU 10 N 0.31 0.30 -0.48 1.11 4.22 -1.94 -3.20 114.58 114.89 2kkv h GLU 10 Ca 0.31 -0.17 0.07 0.00 0.08 0.00 0.00 59.36 59.64 2kkv h GLU 10 Cb 0.43 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 2kkv h GLU 10 CO -0.36 0.74 0.15 1.15 -2.18 0.00 0.00 179.01 178.51 2kkv h THR 11 N 0.23 0.81 -0.01 0.32 2.02 -1.68 0.61 112.91 115.20 2kkv h THR 11 Ca 0.01 -0.11 -0.19 0.00 0.77 0.00 0.00 66.41 66.89 2kkv h THR 11 Cb 0.99 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 2kkv h THR 11 CO 0.08 0.06 -0.83 0.40 0.37 0.00 0.00 175.52 175.60 2kkv h ILE 12 N 0.31 1.48 -0.02 3.11 2.04 -1.64 -2.97 117.51 119.82 2kkv h ILE 12 Ca 0.23 -2.51 -0.08 0.00 1.00 0.00 0.00 64.86 63.51 2kkv h ILE 12 Cb 0.26 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 2kkv h ILE 12 CO -0.26 0.73 -0.35 0.00 0.00 0.00 0.00 178.15 178.27 2kkv h ALA 13 N 1.02 1.38 -0.22 1.87 0.00 -1.25 -2.83 119.26 119.23 2kkv h ALA 13 Ca -0.04 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.61 2kkv h ALA 13 Cb 1.43 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2kkv h ALA 13 CO 0.13 0.46 0.18 -0.09 0.00 0.00 0.00 179.25 179.92 2kkv h ARG 14 N 0.03 0.00 0.14 0.00 2.43 0.35 -0.00 114.38 117.33 2kkv h ARG 14 Ca 0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2kkv h ARG 14 Cb 0.64 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.16 2kkv h ARG 14 CO 0.05 0.00 -0.33 1.49 -1.51 0.00 0.00 179.97 179.67 2kkv h GLU 15 N 0.00 -0.54 0.00 0.20 4.57 -1.60 0.31 114.58 117.52 2kkv h GLU 15 Ca 0.10 0.04 -0.17 0.00 -1.18 0.00 0.00 59.36 58.16 2kkv h GLU 15 Cb 0.46 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 2kkv h GLU 15 CO -0.00 -0.36 -0.79 0.11 -1.18 0.00 0.00 179.01 176.79 2kkv h TRP 16 N -0.56 0.00 -0.80 0.92 5.08 -1.69 -3.25 115.95 115.65 2kkv h TRP 16 Ca 0.03 0.00 0.17 0.00 1.08 0.00 0.00 58.89 60.16 2kkv h TRP 16 Cb 0.58 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 26.64 2kkv h TRP 16 CO -0.28 0.79 0.31 1.25 -1.28 0.00 0.00 178.44 179.23 2kkv h HIS 17 N 0.00 0.53 0.00 0.12 6.17 -0.36 0.17 115.15 121.78 2kkv h HIS 17 Ca -0.01 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.11 2kkv h HIS 17 Cb 1.59 -0.11 0.00 0.00 2.52 0.00 0.00 27.41 31.41 2kkv h HIS 17 CO 0.00 0.02 0.00 0.93 0.71 0.00 0.00 177.93 179.59 2kkv h GLU 18 N 0.42 0.00 -0.23 5.26 5.08 -0.43 -1.48 114.58 123.20 2kkv h GLU 18 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 2kkv h GLU 18 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2kkv h GLU 18 CO -0.45 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 177.99 2kkv n SER 19 N -3.04 3.40 -0.01 1.42 7.64 0.51 -4.35 113.62 119.19 2kkv n SER 19 Ca -0.02 -2.77 -0.17 0.00 1.01 0.00 0.00 58.87 56.93 2kkv n SER 19 Cb 0.14 -0.44 -0.09 0.00 -1.01 0.00 0.00 64.21 62.81 2kkv n SER 19 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 2kkv h ASN 20 N 1.53 0.67 0.00 6.43 -1.24 -0.20 -3.46 115.58 119.31 2kkv h ASN 20 Ca 0.00 -0.67 0.00 0.00 0.71 0.00 0.00 56.30 56.34 2kkv h ASN 20 Cb 1.19 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 40.05 2kkv h ASN 20 CO 0.14 1.24 0.00 2.29 -1.29 0.00 0.00 177.43 179.81 2kkv n LYS 21 N -4.16 0.00 -3.51 6.67 2.85 -1.26 -5.11 118.16 113.63 2kkv n LYS 21 Ca -0.09 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.03 2kkv n LYS 21 Cb 0.66 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.99 2kkv n LYS 21 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 2kkv s ARG 22 N -1.54 0.97 0.09 -1.58 3.52 -1.26 -5.15 118.95 114.00 2kkv s ARG 22 Ca 0.00 0.01 -0.30 0.00 -0.13 0.00 0.00 55.73 55.31 2kkv s ARG 22 Cb 0.00 0.45 -0.06 0.00 -1.56 0.00 0.00 34.95 33.79 2kkv s ARG 22 CO 0.00 -0.35 1.07 1.67 -0.81 0.00 0.00 175.30 176.88 2kkv s TRP 23 N -1.95 3.61 -0.08 5.12 -2.14 -1.26 -4.82 118.94 117.42 2kkv s TRP 23 Ca -0.04 1.58 0.00 0.00 2.66 0.00 0.00 56.10 60.30 2kkv s TRP 23 Cb -0.00 -3.24 0.01 0.00 -3.10 0.00 0.00 33.47 27.14 2kkv s TRP 23 CO 0.01 -0.50 0.64 0.45 -2.66 0.00 0.00 176.95 174.89 2kkv n SER 24 N 3.28 -0.26 0.27 -2.66 2.88 -1.26 -5.06 113.62 110.80 2kkv n SER 24 Ca 0.05 -1.15 0.18 0.00 -1.33 0.00 0.00 58.87 56.62 2kkv n SER 24 Cb 0.48 0.24 0.93 0.00 -0.75 0.00 0.00 64.21 65.11 2kkv n SER 24 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2kkv h GLU 25 N 0.25 0.00 -0.89 -1.46 4.39 -2.00 -2.49 114.58 112.39 2kkv h GLU 25 Ca -0.15 0.00 0.26 0.00 0.34 0.00 0.00 59.36 59.80 2kkv h GLU 25 Cb 1.06 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.67 2kkv h GLU 25 CO -0.06 0.00 0.64 -0.44 -1.16 0.00 0.00 179.01 177.99 2kkv h ASP 26 N 0.00 0.01 -0.06 1.42 3.32 -2.02 0.20 116.42 119.30 2kkv h ASP 26 Ca 0.04 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.11 2kkv h ASP 26 Cb 0.29 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 2kkv h ASP 26 CO -0.00 0.00 0.05 1.12 -1.72 0.00 0.00 179.24 178.69 2kkv h HIS 27 N 0.01 0.00 -0.79 4.55 2.07 -1.90 -3.01 115.15 116.08 2kkv h HIS 27 Ca 0.42 0.00 0.10 0.00 -2.85 0.00 0.00 60.37 58.04 2kkv h HIS 27 Cb 1.68 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.60 2kkv h HIS 27 CO -0.00 0.00 0.52 0.07 -3.07 0.00 0.00 177.93 175.45 2kkv h ARG 28 N 0.00 0.71 -0.03 5.12 0.11 -0.84 0.17 114.38 119.62 2kkv h ARG 28 Ca 0.03 -0.04 -0.16 0.00 0.10 0.00 0.00 59.98 59.90 2kkv h ARG 28 Cb 0.12 -0.16 -0.01 0.00 1.11 0.00 0.00 29.97 31.03 2kkv h ARG 28 CO -0.00 0.47 -0.71 1.03 0.10 0.00 0.00 179.97 180.86 2kkv h SER 29 N 0.73 0.17 0.06 0.08 0.87 -1.72 -2.31 113.55 111.43 2kkv h SER 29 Ca 0.36 -0.12 -0.27 0.00 -1.23 0.00 0.00 61.79 60.54 2kkv h SER 29 Cb 0.45 -0.05 0.02 0.00 -0.44 0.00 0.00 62.40 62.38 2kkv h SER 29 CO -0.14 0.82 -1.08 -0.09 -0.53 0.00 0.00 176.83 175.81 2kkv h ARG 30 N 0.10 0.62 0.00 2.24 2.43 -1.26 -3.16 114.38 115.34 2kkv h ARG 30 Ca -0.02 -0.75 0.00 0.00 -0.81 0.00 0.00 59.98 58.40 2kkv h ARG 30 Cb 1.26 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 31.04 2kkv h ARG 30 CO 0.10 1.33 0.00 0.28 -1.51 0.00 0.00 179.97 180.17 2kkv h VAL 31 N 0.26 0.00 -0.98 0.20 2.07 -0.69 -3.21 116.25 113.90 2kkv h VAL 31 Ca -0.15 -0.28 0.23 0.00 0.82 0.00 0.00 66.70 67.32 2kkv h VAL 31 Cb 1.75 1.06 -0.08 0.00 -1.52 0.00 0.00 31.29 32.50 2kkv h VAL 31 CO 0.21 0.00 0.64 -0.07 0.02 0.00 0.00 177.57 178.37 2kkv h LEU 32 N 0.00 0.46 -1.82 2.57 3.38 -1.38 0.21 115.31 118.73 2kkv h LEU 32 Ca 0.00 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2kkv h LEU 32 Cb 0.39 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2kkv h LEU 32 CO 0.00 0.14 -0.05 0.08 0.09 0.00 0.00 178.44 178.70 2kkv h ARG 33 N 0.44 0.05 0.21 1.13 -0.00 -1.78 0.19 114.38 114.61 2kkv h ARG 33 Ca 0.54 -0.01 -0.29 0.00 -0.00 0.00 0.00 59.98 60.22 2kkv h ARG 33 Cb 1.30 -0.01 0.03 0.00 -0.00 0.00 0.00 29.97 31.29 2kkv h ARG 33 CO -0.25 0.11 -1.33 -0.92 -0.00 0.00 0.00 179.97 177.58 2kkv h TYR 34 N 0.05 0.79 -0.32 4.08 3.20 -0.90 -3.36 116.97 120.51 2kkv h TYR 34 Ca 0.01 -0.58 0.00 0.00 3.14 0.00 0.00 58.73 61.31 2kkv h TYR 34 Cb 0.13 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 2kkv h TYR 34 CO 0.00 1.51 0.20 -0.07 -1.64 0.00 0.00 178.16 178.16 2kkv h LEU 35 N -0.04 0.38 -1.50 2.82 3.38 -0.18 -0.68 115.31 119.49 2kkv h LEU 35 Ca -0.24 -0.04 0.12 0.00 0.09 0.00 0.00 57.88 57.81 2kkv h LEU 35 Cb 1.98 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 42.59 2kkv h LEU 35 CO 0.21 0.30 0.49 -0.33 0.09 0.00 0.00 178.44 179.20 2kkv h GLU 36 N 0.43 0.52 0.03 1.13 5.08 -0.82 -0.03 114.58 120.91 2kkv h GLU 36 Ca 0.12 -0.03 -0.36 0.00 -1.00 0.00 0.00 59.36 58.08 2kkv h GLU 36 Cb -0.01 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 2kkv h GLU 36 CO -0.02 0.34 -2.04 1.28 -1.00 0.00 0.00 179.01 177.57 2kkv n LEU 37 N -4.49 2.31 0.07 1.33 4.32 -1.01 -4.26 117.00 115.27 2kkv n LEU 37 Ca 0.13 0.23 0.11 0.00 -0.02 0.00 0.00 56.01 56.46 2kkv n LEU 37 Cb 0.41 -0.95 -0.02 0.00 -1.62 0.00 0.00 43.42 41.24 2kkv n LEU 37 CO 0.33 0.64 -0.11 0.00 -1.22 0.00 0.00 177.39 177.02 2kkv n TYR 38 N -3.91 0.70 -4.08 -1.77 9.36 -0.29 -4.30 117.16 112.86 2kkv n TYR 38 Ca -0.41 0.20 -0.33 0.00 3.32 0.00 0.00 57.90 60.68 2kkv n TYR 38 Cb 0.89 -0.81 -0.16 0.00 -0.63 0.00 0.00 39.34 38.64 2kkv n TYR 38 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2kkv s ILE 39 N -3.37 2.29 -1.15 2.97 -1.09 -0.03 -4.71 121.20 116.12 2kkv s ILE 39 Ca -0.01 -0.92 -0.26 0.00 -2.23 0.00 0.00 60.65 57.23 2kkv s ILE 39 Cb 0.11 -2.01 0.02 0.00 -1.58 0.00 0.00 42.46 39.00 2kkv s ILE 39 CO 0.81 0.48 0.73 2.22 -1.23 0.00 0.00 174.94 177.94 2kkv n PHE 40 N 4.64 -1.68 -0.05 3.97 1.16 -1.26 -4.41 117.46 119.83 2kkv n PHE 40 Ca -0.20 0.29 -0.10 0.00 -1.87 0.00 0.00 57.45 55.57 2kkv n PHE 40 Cb 0.50 -3.07 -0.04 0.00 -1.61 0.00 0.00 39.48 35.26 2kkv n PHE 40 CO 0.00 0.00 0.00 -1.00 -1.87 0.00 0.00 176.76 173.89 2kkv h PRO 41 N -2.11 0.27 -0.01 3.97 0.13 -1.75 -1.66 132.00 130.84 2kkv h PRO 41 Ca -0.68 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 2kkv h PRO 41 Cb 1.38 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2kkv h PRO 41 CO 0.49 0.24 -0.63 1.58 -0.23 0.00 0.00 178.00 179.45 2kkv n HIS 42 N -4.91 0.00 -0.64 1.56 -0.00 -1.26 -4.25 115.22 105.73 2kkv n HIS 42 Ca -0.04 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.75 2kkv n HIS 42 Cb 0.06 0.00 0.17 0.00 -0.00 0.00 0.00 29.99 30.22 2kkv n HIS 42 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.34 176.78 2kkv n ILE 43 N -0.47 1.66 0.22 3.57 -5.35 -1.15 -4.68 119.36 113.16 2kkv n ILE 43 Ca 0.08 -1.59 0.02 0.00 -0.27 0.00 0.00 62.75 60.99 2kkv n ILE 43 Cb 0.42 0.07 0.12 0.00 -1.74 0.00 0.00 39.64 38.51 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 -0.43 -0.49 0.47 3.28 0.00 -0.63 -0.48 105.19 106.89 2kkv n GLY 44 Ca 0.14 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.28 2kkv n GLY 44 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kkv n SER 45 N -1.33 1.52 -4.62 1.61 2.88 -1.26 -4.84 113.62 107.57 2kkv n SER 45 Ca 0.02 -1.40 -0.40 0.00 -1.33 0.00 0.00 58.87 55.76 2kkv n SER 45 Cb 0.04 0.04 -0.08 0.00 -0.75 0.00 0.00 64.21 63.47 2kkv n SER 45 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2kkv s SER 46 N -2.12 6.44 0.61 -3.46 0.01 0.37 -5.06 113.70 110.48 2kkv s SER 46 Ca 0.34 0.52 -0.07 0.00 1.31 0.00 0.00 55.95 58.05 2kkv s SER 46 Cb 0.20 -2.28 0.01 0.00 0.21 0.00 0.00 66.02 64.16 2kkv s SER 46 CO 0.38 -0.27 0.93 -1.81 0.41 0.00 0.00 173.24 172.88 2kkv s ASP 47 N 1.51 5.62 0.52 2.44 1.01 -1.26 -4.47 116.67 122.04 2kkv s ASP 47 Ca 0.21 0.82 0.30 0.00 0.71 0.00 0.00 52.55 54.59 2kkv s ASP 47 Cb -0.16 -1.79 1.06 0.00 1.01 0.00 0.00 42.92 43.04 2kkv s ASP 47 CO 0.09 -1.08 1.87 -0.29 0.21 0.00 0.00 175.17 175.97 2kkv h ILE 48 N -0.24 0.01 0.00 0.77 2.10 -1.76 -1.69 117.51 116.70 2kkv h ILE 48 Ca -0.45 -0.67 0.00 0.00 1.08 0.00 0.00 64.86 64.82 2kkv h ILE 48 Cb 1.25 1.66 0.00 0.00 -1.09 0.00 0.00 36.82 38.64 2kkv h ILE 48 CO 0.61 0.01 0.00 -2.11 -1.08 0.00 0.00 178.15 175.58 2kkv n ARG 49 N -3.10 0.05 -3.12 2.19 -4.01 -1.26 -3.90 116.66 103.52 2kkv n ARG 49 Ca 0.02 0.08 -0.22 0.00 -1.04 0.00 0.00 57.85 56.69 2kkv n ARG 49 Cb 0.37 -1.50 -0.05 0.00 -3.04 0.00 0.00 32.46 28.24 2kkv n ARG 49 CO 0.00 0.00 0.00 0.94 -3.04 0.00 0.00 177.63 175.53 2kkv n GLN 50 N -1.47 0.72 -2.92 2.89 -0.06 -0.64 -4.91 117.38 110.99 2kkv n GLN 50 Ca 0.07 -2.99 -0.37 0.00 -2.00 0.00 0.00 57.00 51.71 2kkv n GLN 50 Cb 0.27 -1.25 -0.06 0.00 -4.06 0.00 0.00 30.24 25.14 2kkv n GLN 50 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 2kkv s LEU 51 N -1.10 4.37 0.52 1.69 0.20 -1.18 -4.16 118.68 119.02 2kkv s LEU 51 Ca 0.35 1.67 0.07 0.00 0.69 0.00 0.00 54.13 56.90 2kkv s LEU 51 Cb 0.18 -3.78 0.04 0.00 -0.43 0.00 0.00 46.19 42.20 2kkv s LEU 51 CO -0.13 0.00 0.49 -0.54 -0.29 0.00 0.00 176.35 175.88 2kkv s LYS 52 N -1.91 2.33 0.00 1.98 1.02 -1.26 -4.80 119.74 117.09 2kkv s LYS 52 Ca 0.46 -1.83 0.00 0.00 0.02 0.00 0.00 55.97 54.62 2kkv s LYS 52 Cb -0.19 -2.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 2kkv s LYS 52 CO 0.23 -0.58 0.00 2.41 -0.92 0.00 0.00 175.35 176.49 2kkv n THR 53 N -1.83 0.00 0.40 2.17 -1.04 -1.26 -4.31 114.28 108.42 2kkv n THR 53 Ca 0.04 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.06 2kkv n THR 53 Cb 0.63 -1.88 0.10 0.00 -1.82 0.00 0.00 70.33 67.36 2kkv n THR 53 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2kkv n SER 54 N -1.07 0.00 0.15 8.00 3.41 -1.26 -2.36 113.62 120.48 2kkv n SER 54 Ca 0.00 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 2kkv n SER 54 Cb 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.14 2kkv n SER 54 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2kkv h HIS 55 N 0.00 0.00 0.00 7.33 -0.00 -1.96 -2.52 115.15 117.99 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 0.58 0.00 1.37 -0.00 0.00 0.00 177.93 179.88 2kkv h LEU 56 N 0.00 0.00 0.00 2.43 8.10 -1.80 -2.64 115.31 121.40 2kkv h LEU 56 Ca -0.01 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.97 2kkv h LEU 56 Cb 1.10 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.32 2kkv h LEU 56 CO 0.07 0.00 -0.14 0.25 -4.11 0.00 0.00 178.44 174.51 2kkv h LEU 57 N 0.00 0.00 0.01 0.17 5.85 -1.67 -3.35 115.31 116.31 2kkv h LEU 57 Ca 0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2kkv h LEU 57 Cb 0.44 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2kkv h LEU 57 CO 0.00 0.09 -0.10 0.00 -0.34 0.00 0.00 178.44 178.09 2kkv h ALA 58 N 1.91 -0.11 0.00 1.25 0.00 -1.55 -1.90 119.26 118.86 2kkv h ALA 58 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kkv h ALA 58 Cb 1.07 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2kkv h ALA 58 CO 0.01 -0.59 -0.01 -1.35 0.00 0.00 0.00 179.25 177.30 2kkv h PRO 59 N -0.17 0.00 0.00 0.00 0.11 -1.77 -1.25 132.00 128.92 2kkv h PRO 59 Ca 0.04 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.10 2kkv h PRO 59 Cb 0.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 2kkv h PRO 59 CO -0.09 0.01 -0.23 0.82 -0.21 0.00 0.00 178.00 178.30 2kkv h ILE 60 N 0.00 0.54 0.00 4.15 1.08 -1.53 -2.90 117.51 118.84 2kkv h ILE 60 Ca -0.00 -1.17 -0.01 0.00 -0.39 0.00 0.00 64.86 63.28 2kkv h ILE 60 Cb 0.03 1.81 -0.00 0.00 -3.07 0.00 0.00 36.82 35.59 2kkv h ILE 60 CO 0.00 0.22 -0.07 0.11 -0.69 0.00 0.00 178.15 177.73 2kkv h LYS 61 N 0.00 0.00 -0.66 2.37 1.79 -0.69 -2.46 116.57 116.93 2kkv h LYS 61 Ca -0.00 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.56 2kkv h LYS 61 Cb 0.79 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.38 2kkv h LYS 61 CO 0.03 0.07 0.30 1.49 -1.08 0.00 0.00 179.45 180.26 2kkv h GLU 62 N 0.00 0.51 0.00 3.15 4.81 -1.63 0.11 114.58 121.54 2kkv h GLU 62 Ca -0.00 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.02 2kkv h GLU 62 Cb 0.19 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2kkv h GLU 62 CO 0.01 0.34 -0.86 -0.24 -0.73 0.00 0.00 179.01 177.53 2kkv h VAL 63 N 0.53 1.60 -0.09 0.32 3.04 -1.66 -1.30 116.25 118.69 2kkv h VAL 63 Ca 0.32 -2.90 -0.00 0.00 -1.01 0.00 0.00 66.70 63.11 2kkv h VAL 63 Cb 0.34 2.57 -0.00 0.00 -2.01 0.00 0.00 31.29 32.19 2kkv h VAL 63 CO -0.27 0.83 0.06 -0.78 -1.01 0.00 0.00 177.57 176.40 2kkv h ASP 64 N 0.01 0.11 1.18 3.17 1.82 -1.31 -1.06 116.42 120.34 2kkv h ASP 64 Ca -0.01 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 2kkv h ASP 64 Cb 1.51 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.49 2kkv h ASP 64 CO 0.11 0.13 0.00 0.74 -1.61 0.00 0.00 179.24 178.61 2kkv h THR 65 N 0.08 0.00 -0.07 2.25 2.02 -0.96 -2.72 112.91 113.51 2kkv h THR 65 Ca 0.03 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.73 2kkv h THR 65 Cb 0.04 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2kkv h THR 65 CO -0.01 0.00 0.00 -0.24 0.37 0.00 0.00 175.52 175.64 2kkv n SER 66 N -2.59 0.40 0.00 4.18 2.88 -0.50 -4.82 113.62 113.18 2kkv n SER 66 Ca 0.03 -1.84 0.00 0.00 -1.33 0.00 0.00 58.87 55.72 2kkv n SER 66 Cb 0.34 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 2kkv n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kkv n GLY 67 N 0.70 0.78 2.46 0.46 0.00 -1.03 -5.00 105.19 103.56 2kkv n GLY 67 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.06 2.53 0.20 1.61 4.01 -0.47 -4.87 118.16 119.12 2kkv n LYS 68 Ca 0.00 -4.64 0.08 0.00 -0.51 0.00 0.00 58.31 53.24 2kkv n LYS 68 Cb 0.00 -2.22 0.34 0.00 -0.51 0.00 0.00 35.03 32.64 2kkv n LYS 68 CO 0.00 0.00 0.00 1.12 -1.11 0.00 0.00 177.40 177.41 2kkv h HIS 69 N 4.05 0.00 0.05 2.13 2.07 -1.74 -3.06 115.15 118.65 2kkv h HIS 69 Ca 0.19 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.71 2kkv h HIS 69 Cb 0.65 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.63 2kkv h HIS 69 CO 0.72 0.28 -0.02 -0.44 -3.07 0.00 0.00 177.93 175.39 2kkv h ASP 70 N 0.00 -0.05 -0.22 3.10 5.19 -1.92 -2.82 116.42 119.69 2kkv h ASP 70 Ca -0.00 -0.45 -0.03 0.00 -0.62 0.00 0.00 57.03 55.92 2kkv h ASP 70 Cb 0.91 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.42 2kkv h ASP 70 CO 0.04 0.43 0.04 1.62 -3.12 0.00 0.00 179.24 178.26 2kkv h VAL 71 N -0.56 1.16 -0.94 -1.35 3.04 -1.96 0.74 116.25 116.39 2kkv h VAL 71 Ca -0.01 -0.60 0.03 0.00 -1.01 0.00 0.00 66.70 65.11 2kkv h VAL 71 Cb 0.50 0.88 -0.05 0.00 -2.01 0.00 0.00 31.29 30.61 2kkv h VAL 71 CO 0.01 0.21 0.61 0.00 -1.01 0.00 0.00 177.57 177.40 2kkv h ALA 72 N 1.61 1.23 -0.11 3.17 0.00 -1.50 0.33 119.26 124.00 2kkv h ALA 72 Ca 0.10 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2kkv h ALA 72 Cb 0.22 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2kkv h ALA 72 CO 0.00 0.51 -0.30 1.96 0.00 0.00 0.00 179.25 181.42 2kkv h GLN 73 N 1.21 0.40 -0.71 0.00 1.08 -1.06 -2.52 115.11 113.51 2kkv h GLN 73 Ca 0.37 -0.28 0.07 0.00 -1.45 0.00 0.00 58.65 57.35 2kkv h GLN 73 Cb -0.03 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.40 2kkv h GLN 73 CO -0.11 0.89 0.47 0.00 -0.95 0.00 0.00 178.83 179.13 2kkv h ARG 74 N -0.03 0.70 0.36 1.46 2.47 -0.38 0.14 114.38 119.10 2kkv h ARG 74 Ca -0.00 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.66 2kkv h ARG 74 Cb 0.91 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.07 2kkv h ARG 74 CO 0.06 0.46 -0.17 -0.07 0.56 0.00 0.00 179.97 180.82 2kkv h LEU 75 N 0.72 -0.41 -0.46 3.04 3.38 -0.34 -2.80 115.31 118.44 2kkv h LEU 75 Ca 0.31 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2kkv h LEU 75 Cb 0.28 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2kkv h LEU 75 CO -0.10 -0.03 0.15 0.06 0.09 0.00 0.00 178.44 178.61 2kkv h GLN 76 N -0.83 0.71 -0.17 1.13 3.07 -0.98 -2.81 115.11 115.24 2kkv h GLN 76 Ca -0.05 -0.15 -0.11 0.00 0.09 0.00 0.00 58.65 58.43 2kkv h GLN 76 Cb 0.53 -0.11 -0.01 0.00 0.08 0.00 0.00 27.48 27.97 2kkv h GLN 76 CO 0.08 0.67 -0.37 1.96 0.09 0.00 0.00 178.83 181.26 2kkv h GLN 77 N 0.61 0.36 0.00 0.06 4.20 -0.85 -2.33 115.11 117.16 2kkv h GLN 77 Ca 0.15 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 2kkv h GLN 77 Cb 0.25 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 2kkv h GLN 77 CO -0.01 0.68 -0.08 0.00 -0.67 0.00 0.00 178.83 178.75 2kkv h ARG 78 N 0.30 0.00 -0.30 1.46 3.08 -1.31 -2.72 114.38 114.89 2kkv h ARG 78 Ca 0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2kkv h ARG 78 Cb 0.79 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 2kkv h ARG 78 CO 0.06 0.08 0.13 0.28 -1.07 0.00 0.00 179.97 179.46 2kkv h VAL 79 N 0.00 1.11 -0.61 2.04 2.07 -1.16 -1.66 116.25 118.04 2kkv h VAL 79 Ca -0.00 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.12 2kkv h VAL 79 Cb 0.63 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2kkv h VAL 79 CO 0.01 0.13 0.15 0.71 0.02 0.00 0.00 177.57 178.60 2kkv h THR 80 N 0.41 1.24 -0.38 2.57 1.35 -1.57 0.16 112.91 116.71 2kkv h THR 80 Ca 0.11 -0.88 -0.16 0.00 -0.55 0.00 0.00 66.41 64.92 2kkv h THR 80 Cb 0.07 0.61 -0.01 0.00 -1.73 0.00 0.00 68.15 67.09 2kkv h THR 80 CO -0.01 0.33 -0.39 0.00 -0.25 0.00 0.00 175.52 175.20 2kkv h ALA 81 N 1.25 0.58 0.07 6.62 0.00 -1.50 0.10 119.26 126.37 2kkv h ALA 81 Ca 0.20 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2kkv h ALA 81 Cb 0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2kkv h ALA 81 CO -0.00 0.68 -0.07 0.82 0.00 0.00 0.00 179.25 180.68 2kkv h ILE 82 N 0.75 0.83 0.00 0.00 2.04 -0.83 -2.84 117.51 117.46 2kkv h ILE 82 Ca 0.06 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.84 2kkv h ILE 82 Cb 0.99 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2kkv h ILE 82 CO 0.10 0.00 -0.39 -0.03 0.00 0.00 0.00 178.15 177.83 2kkv h MET 83 N -0.16 0.00 -0.90 2.37 4.05 -0.62 -3.21 114.93 116.46 2kkv h MET 83 Ca 0.01 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.47 2kkv h MET 83 Cb 0.16 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 30.90 2kkv h MET 83 CO -0.03 0.39 0.58 -0.09 0.23 0.00 0.00 176.91 177.99 2kkv h ARG 84 N 0.00 1.08 -0.24 0.39 1.12 -0.54 0.16 114.38 116.35 2kkv h ARG 84 Ca -0.00 -0.06 -0.06 0.00 -1.11 0.00 0.00 59.98 58.75 2kkv h ARG 84 Cb 0.85 -0.24 -0.01 0.00 -0.01 0.00 0.00 29.97 30.55 2kkv h ARG 84 CO 0.05 0.71 -0.10 -0.92 -3.11 0.00 0.00 179.97 176.61 2kkv h TYR 85 N 1.11 0.40 -0.15 2.20 3.20 -1.58 0.35 116.97 122.50 2kkv h TYR 85 Ca 0.37 -0.05 -0.22 0.00 3.14 0.00 0.00 58.73 61.97 2kkv h TYR 85 Cb 0.04 -0.11 0.01 0.00 1.54 0.00 0.00 36.73 38.21 2kkv h TYR 85 CO -0.02 0.48 -0.76 0.00 -1.64 0.00 0.00 178.16 176.22 2kkv h ALA 86 N 1.55 0.35 -0.38 1.82 0.00 -1.30 -2.67 119.26 118.63 2kkv h ALA 86 Ca 0.07 -0.60 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 2kkv h ALA 86 Cb 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2kkv h ALA 86 CO 0.02 0.69 -0.28 0.28 0.00 0.00 0.00 179.25 179.96 2kkv h VAL 87 N 0.52 1.28 -0.96 0.00 2.07 -0.52 -1.47 116.25 117.17 2kkv h VAL 87 Ca -0.05 -1.43 0.04 0.00 0.82 0.00 0.00 66.70 66.08 2kkv h VAL 87 Cb 1.39 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 32.38 2kkv h VAL 87 CO 0.16 0.47 0.63 -0.61 0.02 0.00 0.00 177.57 178.24 2kkv h GLN 88 N 0.69 1.18 -0.12 1.57 -0.00 -0.29 0.59 115.11 118.73 2kkv h GLN 88 Ca 0.08 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 2kkv h GLN 88 Cb 0.82 -0.27 0.00 0.00 0.00 0.00 0.00 27.48 28.03 2kkv h GLN 88 CO 0.07 0.78 0.00 0.09 0.00 0.00 0.00 178.83 179.77 2kkv n ASN 89 N -4.47 1.05 -3.17 -0.69 3.02 -1.01 -4.91 115.26 105.09 2kkv n ASN 89 Ca 0.13 -1.67 -0.23 0.00 -0.03 0.00 0.00 54.58 52.78 2kkv n ASN 89 Cb 0.09 -0.08 0.04 0.00 -0.61 0.00 0.00 39.78 39.22 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 -0.06 -5.81 -0.04 6.41 2.03 0.20 -4.87 116.55 114.41 2kkv n ASP 90 Ca 0.14 -0.35 -0.02 0.00 0.52 0.00 0.00 54.79 55.09 2kkv n ASP 90 Cb 0.22 -4.68 0.25 0.00 -0.72 0.00 0.00 41.12 36.18 2kkv n ASP 90 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 2kkv h TYR 91 N -1.52 0.64 0.00 -0.67 0.05 -1.51 -3.38 116.97 110.58 2kkv h TYR 91 Ca -0.53 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.18 2kkv h TYR 91 Cb 1.36 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.92 2kkv h TYR 91 CO 0.55 0.62 -0.50 0.44 -1.05 0.00 0.00 178.16 178.21 2kkv n ILE 92 N -4.25 0.00 -3.58 -2.88 -5.35 -1.26 -5.05 119.36 96.98 2kkv n ILE 92 Ca 0.02 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.30 2kkv n ILE 92 Cb 0.27 -0.38 0.05 0.00 -1.74 0.00 0.00 39.64 37.84 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 -1.62 -1.89 -3.67 7.28 2.03 -1.26 -5.01 116.55 112.41 2kkv n ASP 93 Ca 0.00 -0.75 -0.15 0.00 0.52 0.00 0.00 54.79 54.40 2kkv n ASP 93 Cb 0.25 -4.45 -0.08 0.00 -0.72 0.00 0.00 41.12 36.12 2kkv n ASP 93 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2kkv s SER 94 N -4.28 -0.39 -0.39 1.67 0.01 -1.26 -5.13 113.70 103.93 2kkv s SER 94 Ca 0.04 0.38 0.02 0.00 1.31 0.00 0.00 55.95 57.71 2kkv s SER 94 Cb -0.01 0.44 0.15 0.00 0.21 0.00 0.00 66.02 66.82 2kkv s SER 94 CO 0.78 -0.49 0.27 0.20 0.41 0.00 0.00 173.24 174.41 2kkv s ASN 95 N -1.17 2.45 0.00 2.44 -0.87 -1.26 -4.93 114.94 111.60 2kkv s ASN 95 Ca -0.12 -2.61 0.29 0.00 -1.57 0.00 0.00 52.86 48.85 2kkv s ASN 95 Cb -0.03 -0.49 1.20 0.00 -0.02 0.00 0.00 41.25 41.91 2kkv s ASN 95 CO 0.06 -0.25 1.90 -2.65 -2.57 0.00 0.00 177.10 173.60 2kkv n PRO 96 N 3.48 0.02 -0.92 -0.60 -0.02 -1.26 -3.47 135.00 132.22 2kkv n PRO 96 Ca 0.19 -0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.66 2kkv n PRO 96 Cb 0.41 -1.50 0.32 0.00 -0.02 0.00 0.00 33.50 32.71 2kkv n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kkv n ALA 97 N -1.49 4.21 -0.09 3.55 0.00 -1.26 -4.28 120.51 121.15 2kkv n ALA 97 Ca 0.07 -2.01 -0.16 0.00 0.00 0.00 0.00 53.44 51.34 2kkv n ALA 97 Cb 0.34 -1.20 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 2kkv n ALA 97 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kkv h SER 98 N 2.99 0.00 0.78 0.00 0.87 -1.95 -3.34 113.55 112.90 2kkv h SER 98 Ca 0.15 -0.58 -0.25 0.00 -1.23 0.00 0.00 61.79 59.88 2kkv h SER 98 Cb 2.10 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 64.04 2kkv h SER 98 CO 0.61 1.20 -1.22 -0.78 -0.53 0.00 0.00 176.83 176.11 2kkv h ASP 99 N -1.00 0.15 0.41 6.23 3.58 -1.85 -3.30 116.42 120.64 2kkv h ASP 99 Ca -0.18 -0.18 -0.05 0.00 0.42 0.00 0.00 57.03 57.04 2kkv h ASP 99 Cb 1.05 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 2kkv h ASP 99 CO -0.11 1.14 -0.22 0.00 -2.88 0.00 0.00 179.24 177.17 2kkv h MET 100 N 0.03 0.00 -5.54 0.28 -0.00 -1.78 -3.34 114.93 104.57 2kkv h MET 100 Ca -0.10 0.00 -0.67 0.00 -0.00 0.00 0.00 59.70 58.92 2kkv h MET 100 Cb 1.88 0.00 -0.12 0.00 -0.00 0.00 0.00 31.60 33.36 2kkv h MET 100 CO 0.14 0.22 1.57 0.00 -0.00 0.00 0.00 176.91 178.85 2kkv s ALA 101 N -4.18 3.30 0.04 -3.00 0.00 -1.24 -4.96 121.76 111.71 2kkv s ALA 101 Ca -0.03 -2.80 0.08 0.00 0.00 0.00 0.00 51.96 49.21 2kkv s ALA 101 Cb 0.13 -4.39 -0.03 0.00 0.00 0.00 0.00 23.12 18.83 2kkv s ALA 101 CO 0.65 -3.22 -0.21 0.20 0.00 0.00 0.00 175.76 173.18 2kkv s GLY 102 N 4.03 1.50 -0.74 0.00 0.00 -1.26 -5.00 107.32 105.86 2kkv s GLY 102 Ca 0.45 -1.22 -0.21 0.00 0.00 0.00 0.00 44.72 43.74 2kkv s GLY 102 CO -0.02 -1.10 1.01 0.00 0.00 0.00 0.00 173.10 172.99 2kkv s ALA 103 N -0.87 3.17 -1.84 3.20 0.00 -1.26 -4.81 121.76 119.35 2kkv s ALA 103 Ca 0.13 -2.10 0.28 0.00 0.00 0.00 0.00 51.96 50.27 2kkv s ALA 103 Cb -0.10 -3.92 1.58 0.00 0.00 0.00 0.00 23.12 20.68 2kkv s ALA 103 CO 0.04 -2.84 1.98 1.47 0.00 0.00 0.00 175.76 176.41 2kkv n LEU 104 N 7.41 0.00 -0.81 0.00 -0.00 -1.26 -2.86 117.00 119.49 2kkv n LEU 104 Ca 0.04 0.08 0.03 0.00 -0.00 0.00 0.00 56.01 56.16 2kkv n LEU 104 Cb 0.46 -0.08 0.13 0.00 -0.00 0.00 0.00 43.42 43.93 2kkv n LEU 104 CO 0.61 -0.01 0.51 -0.24 -0.00 0.00 0.00 177.39 178.26 2kkv n SER 105 N -1.08 2.20 0.00 1.45 2.88 -1.26 -4.04 113.62 113.77 2kkv n SER 105 Ca 0.19 -2.21 0.10 0.00 -1.33 0.00 0.00 58.87 55.61 2kkv n SER 105 Cb 0.13 -0.43 0.57 0.00 -0.75 0.00 0.00 64.21 63.73 2kkv n SER 105 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2kkv n THR 106 N 0.23 0.00 -2.05 2.46 -2.24 -1.14 -4.76 114.28 106.78 2kkv n THR 106 Ca 0.09 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.45 2kkv n THR 106 Cb 0.45 -0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 68.02 2kkv n THR 106 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2kkv s THR 107 N -2.00 3.42 0.23 4.28 -4.23 -1.26 -4.71 115.64 111.36 2kkv s THR 107 Ca 0.29 0.75 0.00 0.00 -1.18 0.00 0.00 61.69 61.55 2kkv s THR 107 Cb 0.13 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.49 2kkv s THR 107 CO 0.22 -0.02 0.00 0.29 -0.54 0.00 0.00 174.62 174.57 2kkv n LYS 108 N 5.98 -1.45 0.10 3.99 4.76 -1.26 -5.08 118.16 125.20 2kkv n LYS 108 Ca 0.15 1.14 0.00 0.00 -2.87 0.00 0.00 58.31 56.74 2kkv n LYS 108 Cb 0.42 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 2kkv n LYS 108 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kkv n ALA 109 N -2.25 0.00 -3.74 7.82 0.00 -1.26 -5.13 120.51 115.95 2kkv n ALA 109 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.26 2kkv n ALA 109 Cb 0.21 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.49 2kkv n ALA 109 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kkv s ARG 110 N -1.42 -0.04 -0.27 0.00 1.81 -1.26 -5.01 118.95 112.76 2kkv s ARG 110 Ca 0.00 0.26 0.09 0.00 -1.72 0.00 0.00 55.73 54.36 2kkv s ARG 110 Cb 0.00 -0.32 0.45 0.00 -0.45 0.00 0.00 34.95 34.63 2kkv s ARG 110 CO 0.00 -0.22 1.19 1.58 -0.68 0.00 0.00 175.30 177.17 2kkv n HIS 111 N 4.53 2.03 -0.78 -0.53 -0.00 -1.26 -5.05 115.22 114.16 2kkv n HIS 111 Ca -0.20 -2.03 0.00 0.00 -0.00 0.00 0.00 57.72 55.49 2kkv n HIS 111 Cb 0.50 -0.31 0.00 0.00 -0.00 0.00 0.00 29.99 30.18 2kkv n HIS 111 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2kkv n TYR 112 N -0.78 -2.15 -1.80 1.57 4.01 -1.26 -4.81 117.16 111.94 2kkv n TYR 112 Ca 0.36 1.14 -0.43 0.00 -0.16 0.00 0.00 57.90 58.82 2kkv n TYR 112 Cb 0.90 -2.23 -0.03 0.00 -0.31 0.00 0.00 39.34 37.68 2kkv n TYR 112 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 2kkv s PRO 113 N -4.91 3.54 0.09 -0.72 0.02 -1.26 -4.84 135.00 126.92 2kkv s PRO 113 Ca 0.00 1.98 0.23 0.00 0.02 0.00 0.00 61.00 63.24 2kkv s PRO 113 Cb 0.00 -4.22 0.18 0.00 0.02 0.00 0.00 34.50 30.48 2kkv s PRO 113 CO 0.00 -1.63 1.16 1.47 -0.33 0.00 0.00 177.00 177.67 2kkv n LEU 114 N 9.81 0.66 -4.08 -5.54 -0.00 -1.26 -4.85 117.00 111.75 2kkv n LEU 114 Ca 0.24 0.13 -0.19 0.00 -0.00 0.00 0.00 56.01 56.19 2kkv n LEU 114 Cb 0.44 -0.13 -0.14 0.00 -0.00 0.00 0.00 43.42 43.59 2kkv n LEU 114 CO 0.66 -0.02 -0.45 -0.70 -0.00 0.00 0.00 177.39 176.89 2kkv s GLU 115 N -3.20 0.84 0.33 1.47 2.56 -1.26 -5.16 118.70 114.28 2kkv s GLU 115 Ca 0.04 -0.53 0.03 0.00 0.00 0.00 0.00 54.97 54.52 2kkv s GLU 115 Cb 0.13 -0.81 -0.02 0.00 2.00 0.00 0.00 34.13 35.43 2kkv s GLU 115 CO 0.76 0.21 0.49 -3.38 -0.56 0.00 0.00 175.26 172.79 2kkv s HIS 116 N -0.53 3.38 0.22 5.30 -3.43 -1.26 -5.12 115.29 113.85 2kkv s HIS 116 Ca 0.02 0.12 0.08 0.00 -0.80 0.00 0.00 55.06 54.48 2kkv s HIS 116 Cb -0.06 -1.87 -0.05 0.00 -1.43 0.00 0.00 32.58 29.17 2kkv s HIS 116 CO 0.00 0.13 -0.13 -1.01 -2.00 0.00 0.00 174.74 171.73 2kkv s HIS 117 N -2.22 1.77 -0.76 0.38 3.76 -1.26 -5.10 115.29 111.86 2kkv s HIS 117 Ca 0.40 -0.60 -0.15 0.00 -0.15 0.00 0.00 55.06 54.57 2kkv s HIS 117 Cb -0.09 -0.87 0.20 0.00 1.11 0.00 0.00 32.58 32.93 2kkv s HIS 117 CO 0.33 0.34 0.71 -1.01 -0.85 0.00 0.00 174.74 174.26 2kkv s HIS 118 N -2.98 3.64 -0.35 1.40 3.76 -1.26 -4.71 115.29 114.80 2kkv s HIS 118 Ca 0.24 -1.82 0.04 0.00 -0.15 0.00 0.00 55.06 53.38 2kkv s HIS 118 Cb 0.00 -3.82 0.31 0.00 1.11 0.00 0.00 32.58 30.18 2kkv s HIS 118 CO 0.08 -1.00 1.34 1.58 -0.85 0.00 0.00 174.74 175.89 2kkv n HIS 119 N 4.30 -0.85 -3.63 1.40 -0.00 -1.26 -5.15 115.22 110.03 2kkv n HIS 119 Ca 0.07 -0.98 -0.04 0.00 -0.00 0.00 0.00 57.72 56.77 2kkv n HIS 119 Cb 0.45 1.26 -0.05 0.00 -0.00 0.00 0.00 29.99 31.65 2kkv n HIS 119 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kkv s HIS 120 N 0.08 -0.12 0.00 1.57 5.04 -1.26 -5.32 115.29 115.28 2kkv s HIS 120 Ca 0.19 0.24 0.00 0.00 -1.54 0.00 0.00 55.06 53.95 2kkv s HIS 120 Cb 0.28 0.48 0.00 0.00 0.04 0.00 0.00 32.58 33.38 2kkv s HIS 120 CO -0.16 -0.09 0.00 1.58 -2.34 0.00 0.00 174.74 173.72