#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 0.95 -2.19 2.12 9.09 -2.05 -2.96 114.58 119.54 2kkv h GLU 2 Ca 0.00 -0.06 -0.60 0.00 0.05 0.00 0.00 59.36 58.75 2kkv h GLU 2 Cb 0.00 -0.21 -0.42 0.00 -1.65 0.00 0.00 28.75 26.47 2kkv h GLU 2 CO 0.00 0.63 -0.59 -1.71 0.05 0.00 0.00 179.01 177.39 2kkv n ASN 3 N -4.47 3.79 -3.73 3.06 2.85 -1.26 -5.04 115.26 110.46 2kkv n ASN 3 Ca 0.12 -3.45 -0.14 0.00 -0.11 0.00 0.00 54.58 51.00 2kkv n ASN 3 Cb 0.16 -0.67 -0.09 0.00 1.24 0.00 0.00 39.78 40.42 2kkv n ASN 3 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2kkv s SER 4 N -2.49 -0.31 -0.24 1.20 0.01 -1.12 -5.06 113.70 105.69 2kkv s SER 4 Ca 0.40 0.40 0.16 0.00 1.31 0.00 0.00 55.95 58.22 2kkv s SER 4 Cb 0.15 0.51 0.47 0.00 0.21 0.00 0.00 66.02 67.37 2kkv s SER 4 CO -0.01 -0.34 1.16 0.61 0.41 0.00 0.00 173.24 175.07 2kkv n GLY 5 N 1.84 3.93 0.00 3.44 0.00 -1.26 -4.69 105.19 108.44 2kkv n GLY 5 Ca -0.18 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.59 0.00 -0.83 4.61 0.00 -1.26 -4.75 120.51 117.70 2kkv n ALA 6 Ca 0.23 -0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.66 2kkv n ALA 6 Cb 0.89 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.37 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 -1.75 0.00 -1.58 0.00 4.11 -1.26 -5.06 117.16 111.62 2kkv n TYR 7 Ca 0.00 -0.37 -0.51 0.00 -0.00 0.00 0.00 57.90 57.02 2kkv n TYR 7 Cb 0.00 -0.06 -0.05 0.00 -0.00 0.00 0.00 39.34 39.23 2kkv n TYR 7 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 2kkv n THR 8 N -0.46 0.43 -0.28 -3.48 -1.04 -1.26 -4.77 114.28 103.42 2kkv n THR 8 Ca 0.03 -0.11 0.08 0.00 -2.04 0.00 0.00 64.05 62.01 2kkv n THR 8 Cb 0.47 -0.79 0.31 0.00 -1.82 0.00 0.00 70.33 68.50 2kkv n THR 8 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2kkv h PHE 9 N 3.93 0.93 -0.33 -1.42 3.57 -1.95 -0.91 116.94 120.75 2kkv h PHE 9 Ca -0.46 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.03 2kkv h PHE 9 Cb 1.34 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 2kkv h PHE 9 CO 0.57 0.42 0.04 1.49 -2.23 0.00 0.00 178.31 178.60 2kkv h GLU 10 N 0.85 0.56 -0.62 1.11 4.22 -1.93 -1.54 114.58 117.23 2kkv h GLU 10 Ca 0.42 -0.16 0.01 0.00 0.08 0.00 0.00 59.36 59.71 2kkv h GLU 10 Cb 0.45 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2kkv h GLU 10 CO -0.18 0.66 0.41 1.15 -2.18 0.00 0.00 179.01 178.86 2kkv h THR 11 N 0.39 1.15 -0.74 0.32 2.02 -1.63 -1.94 112.91 112.48 2kkv h THR 11 Ca 0.10 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 2kkv h THR 11 Cb 0.38 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 2kkv h THR 11 CO 0.01 0.15 0.37 0.40 0.37 0.00 0.00 175.52 176.82 2kkv h ILE 12 N 0.83 1.23 0.00 3.11 1.08 -1.05 -1.70 117.51 121.01 2kkv h ILE 12 Ca 0.23 -0.61 -0.03 0.00 -0.39 0.00 0.00 64.86 64.06 2kkv h ILE 12 Cb -0.09 0.27 -0.00 0.00 -3.07 0.00 0.00 36.82 33.92 2kkv h ILE 12 CO -0.05 0.26 -0.15 0.00 -0.69 0.00 0.00 178.15 177.52 2kkv h ALA 13 N 1.37 1.66 -0.08 1.87 0.00 -0.53 -2.09 119.26 121.46 2kkv h ALA 13 Ca 0.26 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 2kkv h ALA 13 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kkv h ALA 13 CO -0.04 0.19 -0.82 0.00 0.00 0.00 0.00 179.25 178.58 2kkv h ARG 14 N 0.00 0.55 0.33 0.00 -0.00 -0.80 -3.02 114.38 111.44 2kkv h ARG 14 Ca -0.00 -0.49 0.00 0.00 -0.50 0.00 0.00 59.98 58.99 2kkv h ARG 14 Cb 0.29 0.12 -0.03 0.00 0.00 0.00 0.00 29.97 30.35 2kkv h ARG 14 CO 0.02 1.12 -0.39 0.93 0.00 0.00 0.00 179.97 181.65 2kkv h GLU 15 N 0.36 -0.73 0.00 0.04 4.39 -0.93 0.23 114.58 117.94 2kkv h GLU 15 Ca -0.06 0.05 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 2kkv h GLU 15 Cb 1.43 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 30.23 2kkv h GLU 15 CO 0.15 -0.49 -0.65 0.11 -1.16 0.00 0.00 179.01 176.97 2kkv h TRP 16 N -0.76 0.00 -0.41 4.33 5.08 -1.71 -3.25 115.95 119.24 2kkv h TRP 16 Ca -0.02 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.85 2kkv h TRP 16 Cb 0.70 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.85 2kkv h TRP 16 CO -0.24 0.65 -0.15 1.25 -1.28 0.00 0.00 178.44 178.67 2kkv h HIS 17 N 0.00 0.94 0.00 0.12 2.76 -1.28 -2.97 115.15 114.71 2kkv h HIS 17 Ca -0.01 -0.22 0.00 0.00 -2.20 0.00 0.00 60.37 57.94 2kkv h HIS 17 Cb 1.27 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 30.00 2kkv h HIS 17 CO 0.00 0.97 0.00 0.39 -1.30 0.00 0.00 177.93 177.99 2kkv n GLU 18 N -4.27 0.23 0.27 5.26 1.02 0.77 -0.82 120.64 123.10 2kkv n GLU 18 Ca -0.01 0.12 0.12 0.00 -0.02 0.00 0.00 57.16 57.37 2kkv n GLU 18 Cb 0.40 -1.50 0.78 0.00 -0.02 0.00 0.00 31.44 31.10 2kkv n GLU 18 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2kkv h SER 19 N 0.00 0.00 -3.64 1.62 0.02 -1.65 -3.37 113.55 106.53 2kkv h SER 19 Ca 0.00 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.31 2kkv h SER 19 Cb 0.07 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.22 2kkv h SER 19 CO 0.00 0.06 -0.75 0.20 -1.14 0.00 0.00 176.83 175.20 2kkv s ASN 20 N -6.36 4.42 0.01 3.07 0.01 0.00 -4.98 114.94 111.12 2kkv s ASN 20 Ca -0.04 -1.74 0.00 0.00 -0.71 0.00 0.00 52.86 50.37 2kkv s ASN 20 Cb 0.15 -1.41 0.00 0.00 0.41 0.00 0.00 41.25 40.40 2kkv s ASN 20 CO 0.59 -0.32 0.00 1.17 -1.51 0.00 0.00 177.10 177.03 2kkv n LYS 21 N 4.46 -1.96 0.00 -0.60 3.00 -1.26 -4.99 118.16 116.81 2kkv n LYS 21 Ca -0.04 1.73 0.00 0.00 -0.00 0.00 0.00 58.31 60.01 2kkv n LYS 21 Cb 0.42 -2.07 0.00 0.00 0.00 0.00 0.00 35.03 33.39 2kkv n LYS 21 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2kkv n ARG 22 N 0.69 0.00 0.31 1.64 1.85 -1.26 -4.60 116.66 115.28 2kkv n ARG 22 Ca 0.00 0.00 0.19 0.00 -1.00 0.00 0.00 57.85 57.04 2kkv n ARG 22 Cb 0.00 -0.22 0.97 0.00 -1.05 0.00 0.00 32.46 32.16 2kkv n ARG 22 CO 0.00 0.00 0.00 0.11 -0.01 0.00 0.00 177.63 177.73 2kkv h TRP 23 N 0.00 0.00 -0.39 2.89 0.09 -1.97 -3.23 115.95 113.33 2kkv h TRP 23 Ca 0.00 0.00 -0.72 0.00 0.09 0.00 0.00 58.89 58.26 2kkv h TRP 23 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 29.16 29.17 2kkv h TRP 23 CO 0.00 0.02 2.80 0.45 0.09 0.00 0.00 178.44 181.80 2kkv n SER 24 N -3.20 4.23 0.27 0.11 2.88 -1.26 -4.72 113.62 111.93 2kkv n SER 24 Ca -0.02 -2.90 0.13 0.00 -1.33 0.00 0.00 58.87 54.75 2kkv n SER 24 Cb 0.17 -1.63 0.78 0.00 -0.75 0.00 0.00 64.21 62.77 2kkv n SER 24 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2kkv h GLU 25 N 6.13 0.00 -0.84 -1.46 4.11 -2.00 -2.08 114.58 118.44 2kkv h GLU 25 Ca 0.52 0.00 0.15 0.00 0.07 0.00 0.00 59.36 60.10 2kkv h GLU 25 Cb 0.66 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.82 2kkv h GLU 25 CO 1.79 0.08 0.41 -0.44 0.07 0.00 0.00 179.01 180.92 2kkv h ASP 26 N 0.00 0.48 1.11 3.06 5.19 -1.91 -0.88 116.42 123.47 2kkv h ASP 26 Ca -0.00 0.10 -0.10 0.00 -0.62 0.00 0.00 57.03 56.41 2kkv h ASP 26 Cb 0.23 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.75 2kkv h ASP 26 CO 0.01 0.19 -0.48 0.45 -3.12 0.00 0.00 179.24 176.30 2kkv h HIS 27 N 0.58 0.00 -0.95 4.55 3.86 -1.78 -3.31 115.15 118.11 2kkv h HIS 27 Ca 0.46 0.00 0.20 0.00 -1.16 0.00 0.00 60.37 59.87 2kkv h HIS 27 Cb 0.67 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.06 2kkv h HIS 27 CO -0.10 0.48 0.61 -0.09 0.86 0.00 0.00 177.93 179.68 2kkv h ARG 28 N 0.00 0.52 -0.93 2.45 2.43 -1.18 0.24 114.38 117.91 2kkv h ARG 28 Ca -0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2kkv h ARG 28 Cb 1.16 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.55 2kkv h ARG 28 CO 0.06 0.35 0.54 0.77 -1.51 0.00 0.00 179.97 180.18 2kkv h SER 29 N 0.54 1.13 0.64 -3.80 0.02 -1.66 -0.49 113.55 109.93 2kkv h SER 29 Ca 0.51 -0.08 -0.27 0.00 -0.84 0.00 0.00 61.79 61.11 2kkv h SER 29 Cb 1.08 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 63.34 2kkv h SER 29 CO -0.25 0.88 -1.27 0.03 -1.14 0.00 0.00 176.83 175.09 2kkv h ARG 30 N 1.29 0.24 0.00 3.45 -0.00 -0.86 -3.09 114.38 115.40 2kkv h ARG 30 Ca 0.33 -0.41 0.00 0.00 -0.50 0.00 0.00 59.98 59.40 2kkv h ARG 30 Cb -0.03 0.15 0.00 0.00 0.00 0.00 0.00 29.97 30.10 2kkv h ARG 30 CO -0.06 1.17 0.00 -0.39 0.00 0.00 0.00 179.97 180.69 2kkv h VAL 31 N 0.06 0.00 0.37 2.04 -1.51 -0.77 -1.26 116.25 115.19 2kkv h VAL 31 Ca -0.14 -0.40 -0.02 0.00 -1.23 0.00 0.00 66.70 64.92 2kkv h VAL 31 Cb 1.96 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 32.39 2kkv h VAL 31 CO 0.19 0.00 -0.18 0.25 -1.23 0.00 0.00 177.57 176.60 2kkv h LEU 32 N 0.00 -0.43 -0.79 4.19 6.46 -1.00 -0.79 115.31 122.95 2kkv h LEU 32 Ca 0.00 -0.06 -0.13 0.00 -0.12 0.00 0.00 57.88 57.58 2kkv h LEU 32 Cb 0.55 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 2kkv h LEU 32 CO 0.00 -0.21 -0.57 0.08 -0.62 0.00 0.00 178.44 177.12 2kkv h ARG 33 N -0.63 0.10 0.00 1.25 0.11 -1.60 -2.76 114.38 110.86 2kkv h ARG 33 Ca -0.05 -0.07 -0.01 0.00 0.10 0.00 0.00 59.98 59.95 2kkv h ARG 33 Cb 0.46 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.54 2kkv h ARG 33 CO 0.08 0.64 -0.05 -0.92 0.10 0.00 0.00 179.97 179.83 2kkv h TYR 34 N 0.08 0.00 -0.26 4.08 3.20 -1.11 -2.27 116.97 120.69 2kkv h TYR 34 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2kkv h TYR 34 Cb 1.03 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 2kkv h TYR 34 CO 0.01 0.05 0.17 1.25 -1.64 0.00 0.00 178.16 178.00 2kkv h LEU 35 N 0.00 0.29 -0.44 2.82 7.12 -0.83 -1.91 115.31 122.37 2kkv h LEU 35 Ca -0.00 -0.01 -0.16 0.00 0.13 0.00 0.00 57.88 57.84 2kkv h LEU 35 Cb 0.10 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.13 2kkv h LEU 35 CO 0.01 0.21 -0.78 -0.33 -0.13 0.00 0.00 178.44 177.42 2kkv h GLU 36 N 0.35 0.00 0.00 1.25 5.08 -1.52 0.16 114.58 119.89 2kkv h GLU 36 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2kkv h GLU 36 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2kkv h GLU 36 CO -0.02 0.78 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.32 2kkv h LEU 37 N 0.00 0.00 0.00 1.33 -0.00 -1.32 -3.04 115.31 112.28 2kkv h LEU 37 Ca -0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 2kkv h LEU 37 Cb 1.38 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.04 2kkv h LEU 37 CO 0.10 0.01 -0.05 -1.22 -0.00 0.00 0.00 178.44 177.28 2kkv n TYR 38 N -2.73 -0.84 0.12 1.13 4.01 -0.73 -4.77 117.16 113.36 2kkv n TYR 38 Ca 0.03 0.15 -0.13 0.00 -0.16 0.00 0.00 57.90 57.79 2kkv n TYR 38 Cb 0.51 0.20 -0.08 0.00 -0.31 0.00 0.00 39.34 39.66 2kkv n TYR 38 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 2kkv h ILE 39 N 0.00 0.80 -2.53 -0.72 1.08 -1.28 -3.36 117.51 111.51 2kkv h ILE 39 Ca 0.00 -0.72 -0.60 0.00 -0.39 0.00 0.00 64.86 63.15 2kkv h ILE 39 Cb 0.05 1.18 -0.41 0.00 -3.07 0.00 0.00 36.82 34.57 2kkv h ILE 39 CO 0.00 0.15 -0.68 0.49 -0.69 0.00 0.00 178.15 177.41 2kkv n PHE 40 N -5.07 2.56 0.09 1.37 3.72 -0.10 -4.96 117.46 115.08 2kkv n PHE 40 Ca -0.09 -4.06 -0.10 0.00 -0.05 0.00 0.00 57.45 53.15 2kkv n PHE 40 Cb 0.25 -0.47 -0.07 0.00 -0.94 0.00 0.00 39.48 38.25 2kkv n PHE 40 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2kkv h PRO 41 N 4.77 -0.28 0.00 -1.08 0.13 -1.69 -3.27 132.00 130.58 2kkv h PRO 41 Ca 0.17 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2kkv h PRO 41 Cb 0.75 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2kkv h PRO 41 CO 0.70 0.09 -1.32 0.72 -0.23 0.00 0.00 178.00 177.96 2kkv n HIS 42 N -4.98 0.00 -0.48 1.56 8.25 -1.26 -4.45 115.22 113.86 2kkv n HIS 42 Ca -0.08 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.47 2kkv n HIS 42 Cb 0.25 -0.21 0.28 0.00 1.12 0.00 0.00 29.99 31.44 2kkv n HIS 42 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2kkv n ILE 43 N -1.77 1.44 1.81 1.59 -5.35 -1.26 -4.42 119.36 111.41 2kkv n ILE 43 Ca -0.00 -1.17 0.04 0.00 -0.27 0.00 0.00 62.75 61.35 2kkv n ILE 43 Cb 0.36 0.29 0.22 0.00 -1.74 0.00 0.00 39.64 38.76 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 0.92 -0.91 0.65 3.28 0.00 -1.23 -2.67 105.19 105.23 2kkv n GLY 44 Ca 0.21 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.63 2.35 -4.75 1.61 7.64 -1.26 -4.94 113.62 113.64 2kkv n SER 45 Ca 0.06 -1.68 -0.38 0.00 1.01 0.00 0.00 58.87 57.88 2kkv n SER 45 Cb 0.03 0.32 -0.06 0.00 -1.01 0.00 0.00 64.21 63.49 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 -2.32 6.78 0.48 6.43 0.01 -1.09 -5.07 113.70 118.92 2kkv s SER 46 Ca 0.22 0.93 -0.18 0.00 1.31 0.00 0.00 55.95 58.22 2kkv s SER 46 Cb 0.19 -2.30 -0.09 0.00 0.21 0.00 0.00 66.02 64.02 2kkv s SER 46 CO 0.48 0.07 0.97 -0.62 0.41 0.00 0.00 173.24 174.56 2kkv s ASP 47 N 0.16 6.73 0.46 2.44 2.15 -1.26 -4.88 116.67 122.47 2kkv s ASP 47 Ca 0.27 1.63 0.17 0.00 0.43 0.00 0.00 52.55 55.05 2kkv s ASP 47 Cb -0.16 -2.52 1.09 0.00 -0.30 0.00 0.00 42.92 41.02 2kkv s ASP 47 CO 0.13 -0.51 2.01 -0.29 -0.17 0.00 0.00 175.17 176.33 2kkv h ILE 48 N 1.33 1.03 -0.04 4.11 2.10 -1.94 0.86 117.51 124.96 2kkv h ILE 48 Ca -0.48 -0.61 0.00 0.00 1.08 0.00 0.00 64.86 64.85 2kkv h ILE 48 Cb 1.18 1.34 0.00 0.00 -1.09 0.00 0.00 36.82 38.25 2kkv h ILE 48 CO 0.61 0.17 0.00 -2.11 -1.08 0.00 0.00 178.15 175.74 2kkv n ARG 49 N -4.20 1.27 -3.25 2.19 -4.01 -1.26 -4.18 116.66 103.22 2kkv n ARG 49 Ca -0.02 -0.40 -0.24 0.00 -1.04 0.00 0.00 57.85 56.15 2kkv n ARG 49 Cb 0.24 -1.40 -0.08 0.00 -3.04 0.00 0.00 32.46 28.19 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 -0.45 0.49 -3.49 2.89 -0.06 0.30 -4.93 117.38 112.13 2kkv n GLN 50 Ca 0.18 -3.13 -0.22 0.00 -2.00 0.00 0.00 57.00 51.83 2kkv n GLN 50 Cb 0.18 -1.41 -0.01 0.00 -4.06 0.00 0.00 30.24 24.94 2kkv n GLN 50 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2kkv s LEU 51 N -0.62 4.02 0.28 1.69 2.01 -1.24 -4.04 118.68 120.78 2kkv s LEU 51 Ca 0.34 0.19 0.09 0.00 0.01 0.00 0.00 54.13 54.76 2kkv s LEU 51 Cb 0.12 -3.05 -0.04 0.00 0.01 0.00 0.00 46.19 43.22 2kkv s LEU 51 CO -0.15 -0.33 0.08 -0.54 1.01 0.00 0.00 176.35 176.41 2kkv s LYS 52 N -4.24 2.47 0.00 1.70 -0.14 -1.26 -4.87 119.74 113.40 2kkv s LYS 52 Ca 0.41 -1.35 0.00 0.00 -1.36 0.00 0.00 55.97 53.67 2kkv s LYS 52 Cb -0.09 -2.27 0.00 0.00 -1.68 0.00 0.00 37.83 33.79 2kkv s LYS 52 CO 0.33 0.32 0.00 2.41 -0.76 0.00 0.00 175.35 177.66 2kkv n THR 53 N -1.02 0.00 0.16 2.17 -1.04 -1.26 -4.20 114.28 109.08 2kkv n THR 53 Ca -0.06 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.00 2kkv n THR 53 Cb 0.59 -1.21 0.26 0.00 -1.82 0.00 0.00 70.33 68.14 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 -0.92 0.24 0.15 8.00 7.64 -1.26 -0.72 113.62 126.75 2kkv n SER 54 Ca 0.00 0.47 0.10 0.00 1.01 0.00 0.00 58.87 60.45 2kkv n SER 54 Cb 0.00 -0.37 0.61 0.00 -1.01 0.00 0.00 64.21 63.45 2kkv n SER 54 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2kkv h HIS 55 N 0.00 0.10 0.00 1.43 -0.00 -1.93 -0.23 115.15 114.52 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 0.82 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.20 2kkv h HIS 55 CO 0.00 0.06 0.00 1.37 -0.00 0.00 0.00 177.93 179.36 2kkv h LEU 56 N 0.10 0.00 -0.30 2.43 -0.00 -1.19 -1.81 115.31 114.54 2kkv h LEU 56 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 2kkv h LEU 56 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 2kkv h LEU 56 CO -0.01 0.00 0.00 0.25 -0.00 0.00 0.00 178.44 178.68 2kkv h LEU 57 N 0.00 0.00 0.06 0.17 5.85 -1.23 -3.24 115.31 116.91 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 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2kkv h LEU 57 CO 0.00 0.00 -0.03 0.00 -0.34 0.00 0.00 178.44 178.07 2kkv h ALA 58 N 2.22 -0.08 -0.28 1.25 0.00 -1.41 0.41 119.26 121.37 2kkv h ALA 58 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2kkv h ALA 58 Cb 0.76 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2kkv h ALA 58 CO 0.00 -0.50 -0.00 -1.35 0.00 0.00 0.00 179.25 177.39 2kkv h PRO 59 N -0.15 0.43 0.00 0.00 0.11 -1.74 -2.84 132.00 127.80 2kkv h PRO 59 Ca -0.01 -0.08 -0.05 0.00 0.11 0.00 0.00 66.00 65.97 2kkv h PRO 59 Cb 0.13 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 2kkv h PRO 59 CO 0.01 0.46 -0.26 0.82 -0.21 0.00 0.00 178.00 178.83 2kkv h ILE 60 N 0.42 0.54 0.00 4.15 1.08 -1.48 -3.22 117.51 119.00 2kkv h ILE 60 Ca 0.09 -1.34 -0.02 0.00 -0.39 0.00 0.00 64.86 63.20 2kkv h ILE 60 Cb 0.28 1.94 -0.00 0.00 -3.07 0.00 0.00 36.82 35.97 2kkv h ILE 60 CO 0.01 0.25 -0.08 0.07 -0.69 0.00 0.00 178.15 177.71 2kkv h LYS 61 N 0.00 0.00 -0.55 2.37 2.10 0.07 0.18 116.57 120.74 2kkv h LYS 61 Ca -0.00 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.76 2kkv h LYS 61 Cb 0.92 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.22 2kkv h LYS 61 CO 0.03 0.08 0.38 1.49 -2.00 0.00 0.00 179.45 179.43 2kkv h GLU 62 N 0.00 0.24 0.03 0.07 4.22 -1.70 -1.24 114.58 116.19 2kkv h GLU 62 Ca -0.00 -0.01 -0.22 0.00 0.08 0.00 0.00 59.36 59.21 2kkv h GLU 62 Cb 0.25 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2kkv h GLU 62 CO 0.01 0.16 -0.97 0.28 -2.18 0.00 0.00 179.01 176.30 2kkv h VAL 63 N 0.25 1.50 -0.30 0.32 2.07 -0.88 -2.32 116.25 116.89 2kkv h VAL 63 Ca 0.26 -2.75 -0.08 0.00 0.82 0.00 0.00 66.70 64.94 2kkv h VAL 63 Cb 0.69 2.59 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 2kkv h VAL 63 CO -0.05 0.80 -0.17 -2.24 0.02 0.00 0.00 177.57 175.93 2kkv h ASP 64 N 0.11 0.53 0.61 0.57 3.04 -1.22 0.81 116.42 120.87 2kkv h ASP 64 Ca -0.07 -0.16 -0.28 0.00 -3.24 0.00 0.00 57.03 53.29 2kkv h ASP 64 Cb 1.64 -0.14 -0.01 0.00 -1.04 0.00 0.00 39.33 39.78 2kkv h ASP 64 CO 0.15 0.72 -1.33 0.74 -2.04 0.00 0.00 179.24 177.48 2kkv h THR 65 N 0.49 1.38 0.01 1.15 2.02 -1.49 0.73 112.91 117.19 2kkv h THR 65 Ca 0.08 -3.00 -0.40 0.00 0.77 0.00 0.00 66.41 63.86 2kkv h THR 65 Cb 0.58 2.84 -0.07 0.00 -1.74 0.00 0.00 68.15 69.76 2kkv h THR 65 CO 0.04 0.86 -2.46 -1.20 0.37 0.00 0.00 175.52 173.13 2kkv n SER 66 N -3.45 1.98 -2.26 4.18 7.64 -0.87 -4.61 113.62 116.22 2kkv n SER 66 Ca -0.10 -0.06 -0.28 0.00 1.01 0.00 0.00 58.87 59.44 2kkv n SER 66 Cb 1.02 -0.49 0.03 0.00 -1.01 0.00 0.00 64.21 63.76 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 2.12 6.15 1.90 0.23 0.00 0.28 -5.01 105.19 110.86 2kkv n GLY 67 Ca -0.46 -2.62 0.00 0.00 0.00 0.00 0.00 46.02 42.94 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 -0.67 -3.51 0.28 1.61 4.01 -1.16 -4.49 118.16 114.24 2kkv n LYS 68 Ca 0.47 2.71 0.14 0.00 -0.51 0.00 0.00 58.31 61.12 2kkv n LYS 68 Cb 0.78 -3.34 0.83 0.00 -0.51 0.00 0.00 35.03 32.80 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 2.87 0.00 -0.50 2.13 2.07 -1.04 -0.97 115.15 119.71 2kkv h HIS 69 Ca 0.00 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.55 2kkv h HIS 69 Cb 0.00 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 29.94 2kkv h HIS 69 CO 0.00 0.06 0.28 0.22 -3.07 0.00 0.00 177.93 175.42 2kkv h ASP 70 N 0.00 0.43 -0.06 3.10 3.58 -1.88 0.29 116.42 121.89 2kkv h ASP 70 Ca -0.00 0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.37 2kkv h ASP 70 Cb 0.18 -0.08 0.01 0.00 1.72 0.00 0.00 39.33 41.16 2kkv h ASP 70 CO 0.01 0.30 -0.34 0.58 -2.88 0.00 0.00 179.24 176.91 2kkv h VAL 71 N 0.55 1.44 -0.64 2.25 2.07 -1.58 -3.02 116.25 117.32 2kkv h VAL 71 Ca 0.21 -1.79 0.03 0.00 0.82 0.00 0.00 66.70 65.97 2kkv h VAL 71 Cb 0.06 2.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 2kkv h VAL 71 CO -0.11 0.51 0.39 0.00 0.02 0.00 0.00 177.57 178.38 2kkv h ALA 72 N 0.40 0.83 -0.07 1.67 0.00 -0.94 0.20 119.26 121.36 2kkv h ALA 72 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2kkv h ALA 72 Cb 1.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2kkv h ALA 72 CO 0.07 0.13 0.01 1.96 0.00 0.00 0.00 179.25 181.43 2kkv h GLN 73 N 0.76 0.11 -0.14 0.00 1.08 -0.53 0.19 115.11 116.58 2kkv h GLN 73 Ca 0.26 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.42 2kkv h GLN 73 Cb 0.04 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2kkv h GLN 73 CO -0.11 0.31 0.04 -0.09 -0.95 0.00 0.00 178.83 178.03 2kkv h ARG 74 N -0.11 0.19 0.09 1.46 2.43 -1.33 0.21 114.38 117.32 2kkv h ARG 74 Ca 0.02 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2kkv h ARG 74 Cb 0.25 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2kkv h ARG 74 CO 0.00 0.17 -0.04 1.25 -1.51 0.00 0.00 179.97 179.84 2kkv h LEU 75 N 0.19 -0.10 -1.14 3.80 6.46 -0.19 -3.14 115.31 121.19 2kkv h LEU 75 Ca 0.05 -0.41 -0.07 0.00 -0.12 0.00 0.00 57.88 57.33 2kkv h LEU 75 Cb 0.06 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 2kkv h LEU 75 CO -0.00 0.39 -0.10 0.06 -0.62 0.00 0.00 178.44 178.16 2kkv h GLN 76 N -0.63 0.48 -0.07 1.25 -0.00 -0.13 0.04 115.11 116.05 2kkv h GLN 76 Ca -0.01 -0.13 0.02 0.00 -0.00 0.00 0.00 58.65 58.53 2kkv h GLN 76 Cb 0.51 -0.06 -0.00 0.00 -0.00 0.00 0.00 27.48 27.93 2kkv h GLN 76 CO 0.02 0.59 0.06 1.96 -0.00 0.00 0.00 178.83 181.46 2kkv h GLN 77 N 0.45 0.00 0.00 0.06 1.08 -1.05 -0.72 115.11 114.93 2kkv h GLN 77 Ca 0.09 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.21 2kkv h GLN 77 Cb 0.46 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 2kkv h GLN 77 CO 0.03 0.00 -0.38 0.00 -0.95 0.00 0.00 178.83 177.52 2kkv h ARG 78 N 0.00 0.00 -0.13 1.46 -0.00 -0.93 -2.57 114.38 112.21 2kkv h ARG 78 Ca 0.03 0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.42 2kkv h ARG 78 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.11 2kkv h ARG 78 CO -0.00 0.38 -0.35 0.28 0.00 0.00 0.00 179.97 180.29 2kkv h VAL 79 N 0.00 1.28 -0.25 2.04 2.07 -1.06 -2.05 116.25 118.28 2kkv h VAL 79 Ca -0.00 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 2kkv h VAL 79 Cb 0.93 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 2kkv h VAL 79 CO 0.05 0.41 0.07 0.74 0.02 0.00 0.00 177.57 178.87 2kkv h THR 80 N 0.23 1.12 0.00 2.57 2.02 -1.34 -1.43 112.91 116.07 2kkv h THR 80 Ca 0.03 -0.39 -0.13 0.00 0.77 0.00 0.00 66.41 66.69 2kkv h THR 80 Cb 0.73 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 2kkv h THR 80 CO 0.06 0.14 -0.62 0.00 0.37 0.00 0.00 175.52 175.46 2kkv h ALA 81 N 1.74 0.91 -0.69 6.16 0.00 -1.33 -3.05 119.26 123.00 2kkv h ALA 81 Ca 0.09 -0.57 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 2kkv h ALA 81 Cb 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2kkv h ALA 81 CO -0.01 0.78 0.24 0.82 0.00 0.00 0.00 179.25 181.08 2kkv h ILE 82 N 0.00 1.25 -0.38 0.00 2.04 -0.90 -2.42 117.51 117.10 2kkv h ILE 82 Ca -0.01 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 2kkv h ILE 82 Cb 1.15 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 2kkv h ILE 82 CO 0.08 0.33 0.10 0.24 0.00 0.00 0.00 178.15 178.90 2kkv h MET 83 N 1.00 0.56 0.01 2.37 2.86 -1.39 0.66 114.93 121.01 2kkv h MET 83 Ca 0.23 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.78 2kkv h MET 83 Cb 0.27 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 2kkv h MET 83 CO -0.01 0.51 -0.05 -0.09 1.06 0.00 0.00 176.91 178.33 2kkv h ARG 84 N 0.55 -0.08 -0.65 1.72 1.12 -1.37 0.50 114.38 116.15 2kkv h ARG 84 Ca 0.13 0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 58.96 2kkv h ARG 84 Cb 0.20 0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.15 2kkv h ARG 84 CO -0.01 -0.06 0.25 -0.92 -3.11 0.00 0.00 179.97 176.13 2kkv h TYR 85 N -0.09 1.00 -0.50 2.20 3.20 -1.16 -1.75 116.97 119.87 2kkv h TYR 85 Ca 0.01 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 2kkv h TYR 85 Cb 0.10 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 2kkv h TYR 85 CO -0.11 0.79 0.16 0.00 -1.64 0.00 0.00 178.16 177.36 2kkv h ALA 86 N 1.11 1.34 -0.12 1.82 0.00 -0.55 -1.05 119.26 121.81 2kkv h ALA 86 Ca 0.22 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2kkv h ALA 86 Cb 0.22 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kkv h ALA 86 CO -0.02 0.48 -0.32 0.28 0.00 0.00 0.00 179.25 179.67 2kkv h VAL 87 N 0.73 1.38 -0.30 0.00 2.07 -0.60 0.46 116.25 119.99 2kkv h VAL 87 Ca 0.17 -1.62 -0.08 0.00 0.82 0.00 0.00 66.70 65.98 2kkv h VAL 87 Cb 0.21 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 2kkv h VAL 87 CO -0.01 0.48 -0.18 -0.61 0.02 0.00 0.00 177.57 177.27 2kkv h GLN 88 N 0.02 0.53 -0.38 1.57 4.15 -1.05 -0.24 115.11 119.72 2kkv h GLN 88 Ca -0.01 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.24 2kkv h GLN 88 Cb 0.93 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.58 2kkv h GLN 88 CO 0.07 0.69 0.00 0.09 -1.93 0.00 0.00 178.83 177.75 2kkv n ASN 89 N -4.16 1.95 -3.52 -0.69 4.13 -0.42 -4.94 115.26 107.60 2kkv n ASN 89 Ca 0.00 -2.02 -0.25 0.00 1.68 0.00 0.00 54.58 53.99 2kkv n ASN 89 Cb 0.36 -0.25 0.05 0.00 -1.54 0.00 0.00 39.78 38.40 2kkv n ASN 89 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2kkv n ASP 90 N 0.51 -5.46 -0.12 6.41 8.00 -0.10 -4.94 116.55 120.86 2kkv n ASP 90 Ca 0.12 -0.89 -0.21 0.00 0.71 0.00 0.00 54.79 54.52 2kkv n ASP 90 Cb 0.32 -4.12 -0.12 0.00 -0.02 0.00 0.00 41.12 37.18 2kkv n ASP 90 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2kkv n TYR 91 N -3.84 0.11 -4.37 1.24 4.01 0.16 -5.02 117.16 109.44 2kkv n TYR 91 Ca -0.10 0.03 -0.26 0.00 -0.16 0.00 0.00 57.90 57.41 2kkv n TYR 91 Cb 0.61 -1.01 -0.12 0.00 -0.31 0.00 0.00 39.34 38.50 2kkv n TYR 91 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2kkv s ILE 92 N -2.52 2.11 -0.17 -0.72 -4.36 -1.20 -4.79 121.20 109.55 2kkv s ILE 92 Ca -0.35 -1.84 0.16 0.00 -0.26 0.00 0.00 60.65 58.36 2kkv s ILE 92 Cb 0.10 -1.93 -0.23 0.00 1.25 0.00 0.00 42.46 41.65 2kkv s ILE 92 CO 0.59 -0.08 0.08 0.47 0.24 0.00 0.00 174.94 176.24 2kkv n ASP 93 N 0.61 0.51 -4.89 4.36 8.00 -1.26 -4.60 116.55 119.28 2kkv n ASP 93 Ca -0.15 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.01 2kkv n ASP 93 Cb 0.55 1.00 -0.05 0.00 -0.02 0.00 0.00 41.12 42.59 2kkv n ASP 93 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2kkv s SER 94 N -5.19 6.51 -0.83 -2.24 0.01 -1.26 -5.06 113.70 105.65 2kkv s SER 94 Ca -0.09 0.59 -0.07 0.00 1.31 0.00 0.00 55.95 57.69 2kkv s SER 94 Cb 0.06 -2.10 0.21 0.00 0.21 0.00 0.00 66.02 64.40 2kkv s SER 94 CO 0.75 0.19 0.73 0.20 0.41 0.00 0.00 173.24 175.51 2kkv s ASN 95 N -1.93 6.23 0.03 2.44 -0.87 -1.26 -4.93 114.94 114.64 2kkv s ASN 95 Ca 0.32 -3.12 -0.25 0.00 -1.57 0.00 0.00 52.86 48.24 2kkv s ASN 95 Cb -0.13 -2.04 -0.17 0.00 -0.02 0.00 0.00 41.25 38.89 2kkv s ASN 95 CO 0.19 -0.38 1.40 -0.65 -2.57 0.00 0.00 177.10 175.09 2kkv h PRO 96 N 6.98 -0.25 -3.50 -0.60 0.11 -1.89 -3.26 132.00 129.60 2kkv h PRO 96 Ca 0.09 0.02 -0.73 0.00 0.11 0.00 0.00 66.00 65.49 2kkv h PRO 96 Cb 0.94 0.06 -0.09 0.00 0.11 0.00 0.00 31.00 32.01 2kkv h PRO 96 CO 0.80 0.03 2.66 0.00 -0.21 0.00 0.00 178.00 181.29 2kkv n ALA 97 N -2.35 5.87 -0.03 -0.75 0.00 -1.26 -4.41 120.51 117.57 2kkv n ALA 97 Ca -0.09 -4.05 -0.03 0.00 0.00 0.00 0.00 53.44 49.27 2kkv n ALA 97 Cb 0.21 -3.19 -0.01 0.00 0.00 0.00 0.00 19.45 16.46 2kkv n ALA 97 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kkv n SER 98 N 4.32 0.72 -3.77 0.00 2.88 -1.23 -4.50 113.62 112.02 2kkv n SER 98 Ca 0.51 0.17 -0.29 0.00 -1.33 0.00 0.00 58.87 57.94 2kkv n SER 98 Cb 0.34 -0.60 -0.13 0.00 -0.75 0.00 0.00 64.21 63.08 2kkv n SER 98 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2kkv s ASP 99 N -4.64 3.84 -0.23 -3.46 2.15 -1.26 -4.95 116.67 108.11 2kkv s ASP 99 Ca -0.10 -3.09 0.14 0.00 0.43 0.00 0.00 52.55 49.93 2kkv s ASP 99 Cb 0.01 -1.25 0.81 0.00 -0.30 0.00 0.00 42.92 42.20 2kkv s ASP 99 CO 0.15 -0.20 1.74 1.15 -0.17 0.00 0.00 175.17 177.84 2kkv n MET 100 N 2.94 4.82 -3.42 4.34 0.00 -1.26 -4.77 117.12 119.78 2kkv n MET 100 Ca 0.13 -3.16 -0.43 0.00 0.00 0.00 0.00 57.70 54.25 2kkv n MET 100 Cb 0.36 -2.25 -0.02 0.00 0.00 0.00 0.00 33.22 31.31 2kkv n MET 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kkv s ALA 101 N -2.75 4.59 0.00 3.17 0.00 -1.26 -4.43 121.76 121.08 2kkv s ALA 101 Ca 0.54 -3.83 0.00 0.00 0.00 0.00 0.00 51.96 48.68 2kkv s ALA 101 Cb 0.41 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 20.16 2kkv s ALA 101 CO 0.16 -2.19 0.00 0.41 0.00 0.00 0.00 175.76 174.14 2kkv n GLY 102 N 2.65 0.00 0.05 0.00 0.00 -1.26 -5.00 105.19 101.62 2kkv n GLY 102 Ca 0.23 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 3.07 -0.07 4.61 0.00 -1.26 -4.10 120.51 122.76 2kkv n ALA 103 Ca 0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 53.44 53.01 2kkv n ALA 103 Cb 0.00 -1.12 -0.14 0.00 0.00 0.00 0.00 19.45 18.19 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 -2.04 1.46 -2.61 0.00 -0.00 -1.26 -4.96 117.00 107.59 2kkv n LEU 104 Ca 0.03 0.10 -0.21 0.00 -0.00 0.00 0.00 56.01 55.93 2kkv n LEU 104 Cb 0.43 -0.24 0.01 0.00 -0.00 0.00 0.00 43.42 43.63 2kkv n LEU 104 CO 0.37 0.65 -0.12 -0.24 -0.00 0.00 0.00 177.39 178.06 2kkv n SER 105 N -3.09 -5.84 0.12 1.45 2.88 -1.26 -4.88 113.62 103.00 2kkv n SER 105 Ca -0.32 -0.16 -0.02 0.00 -1.33 0.00 0.00 58.87 57.04 2kkv n SER 105 Cb 1.07 -4.75 0.07 0.00 -0.75 0.00 0.00 64.21 59.84 2kkv n SER 105 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2kkv h THR 106 N -0.73 1.36 -4.06 2.46 2.02 -1.94 -3.45 112.91 108.57 2kkv h THR 106 Ca -0.49 -2.53 -0.48 0.00 0.77 0.00 0.00 66.41 63.68 2kkv h THR 106 Cb 1.35 2.42 0.04 0.00 -1.74 0.00 0.00 68.15 70.22 2kkv h THR 106 CO 0.55 0.69 0.41 -0.89 0.37 0.00 0.00 175.52 176.65 2kkv s THR 107 N -3.16 3.56 0.18 3.16 2.01 -1.26 -5.05 115.64 115.07 2kkv s THR 107 Ca 0.01 1.01 0.01 0.00 0.31 0.00 0.00 61.69 63.03 2kkv s THR 107 Cb 0.11 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 69.14 2kkv s THR 107 CO 0.77 -0.18 0.02 -0.75 -0.69 0.00 0.00 174.62 173.79 2kkv s LYS 108 N -3.13 1.13 0.05 4.92 2.47 -1.26 -5.09 119.74 118.83 2kkv s LYS 108 Ca 0.68 -1.55 -0.02 0.00 -1.56 0.00 0.00 55.97 53.51 2kkv s LYS 108 Cb -0.20 -0.22 -0.01 0.00 -1.46 0.00 0.00 37.83 35.94 2kkv s LYS 108 CO 0.24 -0.16 -0.05 0.00 0.16 0.00 0.00 175.35 175.54 2kkv n ALA 109 N -0.26 2.73 -1.01 3.13 0.00 -1.26 -5.14 120.51 118.70 2kkv n ALA 109 Ca -0.06 -0.11 0.05 0.00 0.00 0.00 0.00 53.44 53.32 2kkv n ALA 109 Cb 0.64 0.26 -0.01 0.00 0.00 0.00 0.00 19.45 20.33 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 -3.55 -0.77 -3.85 0.00 1.74 -1.26 -5.04 116.66 103.92 2kkv n ARG 110 Ca -0.03 0.51 -0.06 0.00 -0.77 0.00 0.00 57.85 57.51 2kkv n ARG 110 Cb 0.14 -0.94 0.02 0.00 -1.02 0.00 0.00 32.46 30.66 2kkv n ARG 110 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2kkv s HIS 111 N -0.62 0.09 0.39 -1.55 -3.43 -1.26 -5.17 115.29 103.74 2kkv s HIS 111 Ca 0.00 -0.61 -0.06 0.00 -0.80 0.00 0.00 55.06 53.59 2kkv s HIS 111 Cb 0.00 0.76 -0.05 0.00 -1.43 0.00 0.00 32.58 31.86 2kkv s HIS 111 CO 0.00 -1.20 0.68 0.71 -2.00 0.00 0.00 174.74 172.93 2kkv s TYR 112 N -2.24 3.50 0.92 0.38 2.02 -1.26 -5.08 117.35 115.60 2kkv s TYR 112 Ca 0.19 0.78 -0.11 0.00 -0.37 0.00 0.00 57.07 57.55 2kkv s TYR 112 Cb -0.04 -2.24 0.15 0.00 -0.40 0.00 0.00 41.96 39.43 2kkv s TYR 112 CO 0.08 -0.05 1.09 -1.25 -1.57 0.00 0.00 175.55 173.85 2kkv s PRO 113 N -4.07 1.02 -0.31 -1.71 0.04 -1.26 -4.96 135.00 123.75 2kkv s PRO 113 Ca 0.47 0.90 0.09 0.00 0.04 0.00 0.00 61.00 62.50 2kkv s PRO 113 Cb -0.10 -1.78 0.60 0.00 0.04 0.00 0.00 34.50 33.26 2kkv s PRO 113 CO 0.35 -2.42 1.63 -0.11 0.04 0.00 0.00 177.00 176.49 2kkv n LEU 114 N -4.02 5.10 -4.56 -3.56 7.94 -1.26 -4.99 117.00 111.65 2kkv n LEU 114 Ca 0.07 -3.48 -0.51 0.00 -1.11 0.00 0.00 56.01 50.99 2kkv n LEU 114 Cb 0.55 -0.69 -0.06 0.00 0.53 0.00 0.00 43.42 43.75 2kkv n LEU 114 CO 0.55 1.01 1.66 -0.62 -1.11 0.00 0.00 177.39 178.87 2kkv n GLU 115 N -0.80 1.44 -3.97 1.96 1.02 -1.26 -4.91 120.64 114.12 2kkv n GLU 115 Ca 0.39 0.46 -0.33 0.00 -0.02 0.00 0.00 57.16 57.66 2kkv n GLU 115 Cb 1.23 -2.52 -0.14 0.00 -0.02 0.00 0.00 31.44 29.99 2kkv n GLU 115 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2kkv s HIS 116 N 6.02 3.51 -0.18 -0.32 2.46 -1.26 -5.08 115.29 120.44 2kkv s HIS 116 Ca 1.03 -2.52 -0.00 0.00 0.47 0.00 0.00 55.06 54.04 2kkv s HIS 116 Cb -0.80 -2.55 0.00 0.00 -0.13 0.00 0.00 32.58 29.10 2kkv s HIS 116 CO 0.51 -0.91 -0.15 -1.58 -2.47 0.00 0.00 174.74 170.14 2kkv s HIS 117 N 1.06 2.81 0.01 3.88 5.04 -1.26 -5.10 115.29 121.73 2kkv s HIS 117 Ca 0.02 -1.24 0.00 0.00 -1.54 0.00 0.00 55.06 52.31 2kkv s HIS 117 Cb -0.20 -1.94 -0.00 0.00 0.04 0.00 0.00 32.58 30.48 2kkv s HIS 117 CO -0.05 -0.61 0.00 0.72 -2.34 0.00 0.00 174.74 172.46 2kkv n HIS 118 N 4.40 -0.00 -1.62 3.88 8.25 -1.26 -4.92 115.22 123.95 2kkv n HIS 118 Ca -0.20 -0.06 -0.09 0.00 -0.26 0.00 0.00 57.72 57.12 2kkv n HIS 118 Cb 0.51 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.60 2kkv n HIS 118 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kkv n HIS 119 N -0.02 -0.17 -3.88 4.41 8.25 -1.26 -4.98 115.22 117.58 2kkv n HIS 119 Ca -0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 2kkv n HIS 119 Cb 0.01 -1.95 -0.02 0.00 1.12 0.00 0.00 29.99 29.15 2kkv n HIS 119 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kkv s HIS 120 N -2.37 -0.09 -2.18 4.41 5.04 -1.26 -5.38 115.29 113.46 2kkv s HIS 120 Ca 0.00 -0.36 0.17 0.00 -1.54 0.00 0.00 55.06 53.34 2kkv s HIS 120 Cb 0.00 0.63 0.14 0.00 0.04 0.00 0.00 32.58 33.39 2kkv s HIS 120 CO 0.00 -1.21 1.05 1.58 -2.34 0.00 0.00 174.74 173.82