#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkv n GLU 2 N 0.00 0.67 -0.45 0.03 2.13 -1.26 -5.09 120.64 116.67 2kkv n GLU 2 Ca 0.00 0.10 0.06 0.00 0.66 0.00 0.00 57.16 57.98 2kkv n GLU 2 Cb 0.00 -1.61 -0.02 0.00 0.27 0.00 0.00 31.44 30.09 2kkv n GLU 2 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2kkv n ASN 3 N -2.90 -5.97 -3.57 4.31 4.13 -1.26 -5.01 115.26 105.00 2kkv n ASN 3 Ca -0.29 0.48 -0.15 0.00 1.68 0.00 0.00 54.58 56.29 2kkv n ASN 3 Cb 1.11 -1.35 -0.07 0.00 -1.54 0.00 0.00 39.78 37.93 2kkv n ASN 3 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2kkv s SER 4 N -4.88 0.96 0.00 6.41 0.01 -1.26 -5.18 113.70 109.76 2kkv s SER 4 Ca 0.00 -1.53 0.00 0.00 1.31 0.00 0.00 55.95 55.74 2kkv s SER 4 Cb 0.00 0.55 -0.00 0.00 0.21 0.00 0.00 66.02 66.77 2kkv s SER 4 CO 0.00 -1.09 -0.02 -0.83 0.41 0.00 0.00 173.24 171.72 2kkv s GLY 5 N -3.26 0.11 -0.12 3.44 0.00 -1.26 -5.15 107.32 101.09 2kkv s GLY 5 Ca 0.36 -0.16 -0.10 0.00 0.00 0.00 0.00 44.72 44.82 2kkv s GLY 5 CO 0.20 -0.16 0.30 0.00 0.00 0.00 0.00 173.10 173.44 2kkv s ALA 6 N -0.29 -0.75 0.00 3.20 0.00 -1.26 -5.05 121.76 117.62 2kkv s ALA 6 Ca -0.02 0.91 0.03 0.00 0.00 0.00 0.00 51.96 52.88 2kkv s ALA 6 Cb -0.02 -0.54 0.05 0.00 0.00 0.00 0.00 23.12 22.61 2kkv s ALA 6 CO -0.00 -0.16 0.83 2.48 0.00 0.00 0.00 175.76 178.91 2kkv n TYR 7 N 3.13 0.00 -2.74 0.00 0.18 -1.26 -5.01 117.16 111.47 2kkv n TYR 7 Ca -0.15 -0.26 -0.22 0.00 1.88 0.00 0.00 57.90 59.15 2kkv n TYR 7 Cb 0.57 0.27 0.09 0.00 -0.38 0.00 0.00 39.34 39.89 2kkv n TYR 7 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2kkv s THR 8 N 0.00 2.17 0.39 -3.48 -4.23 -1.26 -4.83 115.64 104.39 2kkv s THR 8 Ca 0.04 -0.73 0.05 0.00 -1.18 0.00 0.00 61.69 59.87 2kkv s THR 8 Cb 0.04 -2.44 0.26 0.00 1.34 0.00 0.00 72.50 71.71 2kkv s THR 8 CO -0.02 0.00 2.04 0.15 -0.54 0.00 0.00 174.62 176.25 2kkv h PHE 9 N -0.27 0.63 -0.79 3.99 3.57 -1.97 -1.76 116.94 120.34 2kkv h PHE 9 Ca -0.34 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.16 2kkv h PHE 9 Cb 1.27 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.76 2kkv h PHE 9 CO 0.02 0.40 0.45 1.49 -2.23 0.00 0.00 178.31 178.44 2kkv h GLU 10 N 0.68 1.09 -0.68 1.11 4.22 -1.99 -2.31 114.58 116.69 2kkv h GLU 10 Ca 0.18 -0.11 0.05 0.00 0.08 0.00 0.00 59.36 59.56 2kkv h GLU 10 Cb -0.08 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 28.91 2kkv h GLU 10 CO -0.04 0.79 0.45 1.15 -2.18 0.00 0.00 179.01 179.18 2kkv h THR 11 N 1.10 1.06 -0.17 0.32 2.02 -1.68 0.38 112.91 115.95 2kkv h THR 11 Ca 0.28 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 2kkv h THR 11 Cb -0.00 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 2kkv h THR 11 CO -0.05 0.14 -0.02 0.40 0.37 0.00 0.00 175.52 176.37 2kkv h ILE 12 N 0.77 1.27 0.00 3.11 1.08 -1.39 -2.31 117.51 120.04 2kkv h ILE 12 Ca 0.28 -0.92 -0.11 0.00 -0.39 0.00 0.00 64.86 63.73 2kkv h ILE 12 Cb 0.15 1.53 -0.02 0.00 -3.07 0.00 0.00 36.82 35.42 2kkv h ILE 12 CO -0.08 0.27 -0.50 0.00 -0.69 0.00 0.00 178.15 177.15 2kkv h ALA 13 N 0.75 1.06 -0.81 1.87 0.00 -1.22 -2.85 119.26 118.05 2kkv h ALA 13 Ca 0.05 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 2kkv h ALA 13 Cb 0.42 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2kkv h ALA 13 CO 0.01 0.63 0.37 -0.09 0.00 0.00 0.00 179.25 180.16 2kkv h ARG 14 N 0.00 1.18 0.63 0.00 9.65 -0.12 -2.78 114.38 122.95 2kkv h ARG 14 Ca -0.01 -0.19 -0.02 0.00 -1.10 0.00 0.00 59.98 58.66 2kkv h ARG 14 Cb 0.95 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 29.31 2kkv h ARG 14 CO 0.07 0.93 -0.48 1.49 2.80 0.00 0.00 179.97 184.77 2kkv h GLU 15 N 1.17 -1.04 0.06 0.20 4.57 -1.17 -2.52 114.58 115.85 2kkv h GLU 15 Ca 0.28 0.07 -0.24 0.00 -1.18 0.00 0.00 59.36 58.29 2kkv h GLU 15 Cb 0.15 0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 2kkv h GLU 15 CO -0.03 -0.69 -1.10 0.11 -1.18 0.00 0.00 179.01 176.12 2kkv h TRP 16 N -1.08 0.25 -0.21 0.92 5.08 -1.65 -3.23 115.95 116.04 2kkv h TRP 16 Ca -0.08 -0.18 -0.12 0.00 1.08 0.00 0.00 58.89 59.59 2kkv h TRP 16 Cb 0.90 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 27.03 2kkv h TRP 16 CO -0.17 1.12 -0.39 1.25 -1.28 0.00 0.00 178.44 178.97 2kkv h HIS 17 N 0.04 0.57 0.00 0.12 2.76 -1.54 -2.26 115.15 114.84 2kkv h HIS 17 Ca -0.07 -0.16 0.00 0.00 -2.20 0.00 0.00 60.37 57.94 2kkv h HIS 17 Cb 1.84 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.67 2kkv h HIS 17 CO 0.03 0.80 0.00 -1.91 -1.30 0.00 0.00 177.93 175.56 2kkv n GLU 18 N -4.03 0.11 -0.31 5.26 4.07 -0.95 -1.96 120.64 122.83 2kkv n GLU 18 Ca -0.01 0.13 0.07 0.00 -0.06 0.00 0.00 57.16 57.29 2kkv n GLU 18 Cb 0.50 -1.64 0.21 0.00 -0.06 0.00 0.00 31.44 30.44 2kkv n GLU 18 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 2kkv n SER 19 N -1.84 3.41 -0.92 4.31 3.41 -1.09 -4.69 113.62 116.21 2kkv n SER 19 Ca 0.06 -2.47 0.00 0.00 -0.26 0.00 0.00 58.87 56.20 2kkv n SER 19 Cb 0.35 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 2kkv n SER 19 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2kkv n ASN 20 N 0.07 0.00 -0.21 4.04 2.85 -0.83 -4.97 115.26 116.21 2kkv n ASN 20 Ca 0.16 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.53 2kkv n ASN 20 Cb 0.65 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.61 2kkv n ASN 20 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 2kkv h LYS 21 N 0.00 -0.24 -3.16 1.20 3.11 -1.90 -3.43 116.57 112.16 2kkv h LYS 21 Ca 0.00 0.02 -0.15 0.00 -2.81 0.00 0.00 60.65 57.71 2kkv h LYS 21 Cb 0.00 0.06 -0.23 0.00 -1.00 0.00 0.00 32.23 31.05 2kkv h LYS 21 CO 0.00 -0.16 -0.40 -0.98 -2.81 0.00 0.00 179.45 175.10 2kkv s ARG 22 N -5.76 0.41 0.30 1.90 1.04 -1.26 -5.13 118.95 110.44 2kkv s ARG 22 Ca -0.14 0.12 -0.29 0.00 -1.04 0.00 0.00 55.73 54.37 2kkv s ARG 22 Cb 0.12 0.19 -0.13 0.00 -2.04 0.00 0.00 34.95 33.09 2kkv s ARG 22 CO 0.65 -0.08 1.37 0.91 -0.04 0.00 0.00 175.30 178.11 2kkv n TRP 23 N 2.34 2.31 -1.31 5.89 5.03 -1.26 -4.88 117.44 125.55 2kkv n TRP 23 Ca -0.16 0.47 0.02 0.00 3.03 0.00 0.00 57.50 60.86 2kkv n TRP 23 Cb 0.57 -2.45 0.03 0.00 -1.03 0.00 0.00 31.31 28.42 2kkv n TRP 23 CO 0.00 0.00 0.00 0.43 -0.03 0.00 0.00 177.69 178.09 2kkv n SER 24 N 1.47 0.69 -0.32 -0.99 7.64 -1.26 -4.91 113.62 115.93 2kkv n SER 24 Ca 0.08 -1.93 0.18 0.00 1.01 0.00 0.00 58.87 58.21 2kkv n SER 24 Cb 0.34 -0.16 0.39 0.00 -1.01 0.00 0.00 64.21 63.77 2kkv n SER 24 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2kkv h GLU 25 N 0.00 0.37 0.07 1.43 4.11 -1.97 0.67 114.58 119.26 2kkv h GLU 25 Ca 0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 2kkv h GLU 25 Cb 1.11 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2kkv h GLU 25 CO 0.00 0.24 -0.03 0.22 0.07 0.00 0.00 179.01 179.51 2kkv h ASP 26 N 0.38 -0.08 0.75 3.06 3.58 -2.03 -3.28 116.42 118.80 2kkv h ASP 26 Ca 0.65 -0.51 -0.07 0.00 0.42 0.00 0.00 57.03 57.51 2kkv h ASP 26 Cb 1.34 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.40 2kkv h ASP 26 CO -0.57 0.52 -0.34 0.45 -2.88 0.00 0.00 179.24 176.42 2kkv h HIS 27 N -0.73 0.00 -0.80 0.28 3.86 -1.68 -2.96 115.15 113.13 2kkv h HIS 27 Ca -0.01 0.00 0.15 0.00 -1.16 0.00 0.00 60.37 59.35 2kkv h HIS 27 Cb 0.59 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.00 2kkv h HIS 27 CO 0.12 0.34 0.53 -0.09 0.86 0.00 0.00 177.93 179.69 2kkv h ARG 28 N 0.00 0.46 -0.50 2.45 9.65 0.25 0.19 114.38 126.87 2kkv h ARG 28 Ca -0.00 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2kkv h ARG 28 Cb 0.81 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.26 2kkv h ARG 28 CO 0.04 0.30 0.30 0.77 2.80 0.00 0.00 179.97 184.19 2kkv h SER 29 N 0.47 0.60 -0.09 -3.80 0.02 -1.63 0.50 113.55 109.62 2kkv h SER 29 Ca 0.40 -0.03 -0.18 0.00 -0.84 0.00 0.00 61.79 61.13 2kkv h SER 29 Cb 0.85 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 63.25 2kkv h SER 29 CO -0.14 0.46 -0.66 0.03 -1.14 0.00 0.00 176.83 175.37 2kkv h ARG 30 N 0.69 0.61 -0.59 3.45 2.47 -1.16 -2.82 114.38 117.03 2kkv h ARG 30 Ca 0.18 -0.54 -0.07 0.00 -1.26 0.00 0.00 59.98 58.29 2kkv h ARG 30 Cb -0.03 0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.39 2kkv h ARG 30 CO -0.03 1.15 0.08 0.28 0.56 0.00 0.00 179.97 182.01 2kkv h VAL 31 N 0.24 1.25 -0.19 2.04 2.07 -0.88 -1.99 116.25 118.79 2kkv h VAL 31 Ca -0.06 -0.99 0.04 0.00 0.82 0.00 0.00 66.70 66.51 2kkv h VAL 31 Cb 1.32 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 2kkv h VAL 31 CO 0.14 0.37 -0.05 0.25 0.02 0.00 0.00 177.57 178.29 2kkv h LEU 32 N 0.91 -0.18 -0.90 2.57 6.46 0.01 0.18 115.31 124.35 2kkv h LEU 32 Ca 0.18 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.97 2kkv h LEU 32 Cb 0.42 0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.43 2kkv h LEU 32 CO 0.01 -0.07 0.44 -0.09 -0.62 0.00 0.00 178.44 178.12 2kkv h ARG 33 N -0.00 1.23 0.03 1.25 2.43 -1.31 -0.82 114.38 117.18 2kkv h ARG 33 Ca 0.09 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2kkv h ARG 33 Cb 0.14 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2kkv h ARG 33 CO -0.20 0.92 -0.02 -0.92 -1.51 0.00 0.00 179.97 178.25 2kkv h TYR 34 N 1.22 -0.04 -0.11 2.20 3.20 -0.60 -2.30 116.97 120.54 2kkv h TYR 34 Ca 0.30 -0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.98 2kkv h TYR 34 Cb 0.08 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 2kkv h TYR 34 CO 0.01 0.08 -0.72 1.37 -1.64 0.00 0.00 178.16 177.27 2kkv h LEU 35 N -0.15 0.62 -0.84 2.82 8.10 -0.46 -1.72 115.31 123.66 2kkv h LEU 35 Ca -0.00 -0.39 -0.12 0.00 0.11 0.00 0.00 57.88 57.47 2kkv h LEU 35 Cb 0.14 -0.18 -0.02 0.00 -0.44 0.00 0.00 40.66 40.16 2kkv h LEU 35 CO 0.01 1.14 -0.57 -0.33 -4.11 0.00 0.00 178.44 174.58 2kkv h GLU 36 N 0.36 0.01 0.06 0.17 5.08 -1.18 0.20 114.58 119.28 2kkv h GLU 36 Ca -0.03 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 2kkv h GLU 36 Cb 1.30 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.56 2kkv h GLU 36 CO 0.13 0.58 -0.48 -0.07 -1.00 0.00 0.00 179.01 178.17 2kkv h LEU 37 N 0.01 0.33 0.12 1.33 4.07 -1.33 -3.10 115.31 116.73 2kkv h LEU 37 Ca -0.01 -0.89 -0.28 0.00 0.08 0.00 0.00 57.88 56.79 2kkv h LEU 37 Cb 1.02 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.65 2kkv h LEU 37 CO 0.08 1.19 -1.40 1.88 -1.08 0.00 0.00 178.44 179.10 2kkv h TYR 38 N -0.49 0.46 0.00 1.13 0.05 -1.33 -3.37 116.97 113.43 2kkv h TYR 38 Ca -0.08 -0.34 -0.08 0.00 0.05 0.00 0.00 58.73 58.28 2kkv h TYR 38 Cb 1.31 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 39.02 2kkv h TYR 38 CO 0.20 1.55 -1.33 -0.89 -1.05 0.00 0.00 178.16 176.64 2kkv n ILE 39 N -3.91 0.82 -2.85 -2.88 2.08 0.66 -4.37 119.36 108.91 2kkv n ILE 39 Ca -0.24 -0.61 -0.27 0.00 0.56 0.00 0.00 62.75 62.18 2kkv n ILE 39 Cb 0.91 -0.48 -0.03 0.00 -0.75 0.00 0.00 39.64 39.29 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 -2.73 3.87 -0.06 1.39 3.72 -1.05 -4.76 117.46 117.84 2kkv n PHE 40 Ca -0.06 -3.81 -0.12 0.00 -0.05 0.00 0.00 57.45 53.41 2kkv n PHE 40 Cb 0.69 -0.41 -0.11 0.00 -0.94 0.00 0.00 39.48 38.72 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 2.90 -0.01 0.00 -1.08 0.11 -1.72 -3.30 132.00 128.90 2kkv h PRO 41 Ca 0.16 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.96 2kkv h PRO 41 Cb 0.59 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.65 2kkv h PRO 41 CO 0.82 0.80 -2.20 1.58 -0.21 0.00 0.00 178.00 178.79 2kkv n HIS 42 N -4.66 0.00 0.52 0.65 -0.00 -1.26 -4.49 115.22 105.98 2kkv n HIS 42 Ca -0.08 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.69 2kkv n HIS 42 Cb 0.39 -0.84 0.18 0.00 -0.00 0.00 0.00 29.99 29.72 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 -2.83 0.82 0.83 3.57 -5.35 -1.26 -4.11 119.36 111.03 2kkv n ILE 43 Ca -0.32 -0.59 0.09 0.00 -0.27 0.00 0.00 62.75 61.67 2kkv n ILE 43 Cb 1.00 0.05 0.46 0.00 -1.74 0.00 0.00 39.64 39.40 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 0.85 -0.99 1.58 3.28 0.00 -1.24 -2.09 105.19 106.59 2kkv n GLY 44 Ca 0.13 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.35 4.70 -4.76 1.61 7.64 -1.26 -4.95 113.62 115.25 2kkv n SER 45 Ca 0.08 -2.45 -0.39 0.00 1.01 0.00 0.00 58.87 57.12 2kkv n SER 45 Cb 0.17 -0.58 -0.06 0.00 -1.01 0.00 0.00 64.21 62.74 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 -0.87 7.01 0.39 6.43 0.01 -0.89 -5.07 113.70 120.71 2kkv s SER 46 Ca 0.50 1.20 -0.08 0.00 1.31 0.00 0.00 55.95 58.89 2kkv s SER 46 Cb 0.33 -2.38 -0.06 0.00 0.21 0.00 0.00 66.02 64.12 2kkv s SER 46 CO 0.24 0.10 0.71 -0.62 0.41 0.00 0.00 173.24 174.08 2kkv s ASP 47 N -0.22 6.45 0.59 2.44 2.15 -1.26 -4.85 116.67 121.97 2kkv s ASP 47 Ca 0.32 0.98 0.36 0.00 0.43 0.00 0.00 52.55 54.63 2kkv s ASP 47 Cb -0.19 -2.26 1.79 0.00 -0.30 0.00 0.00 42.92 41.97 2kkv s ASP 47 CO 0.18 -0.38 2.16 -0.29 -0.17 0.00 0.00 175.17 176.67 2kkv h ILE 48 N 0.99 0.19 -0.00 4.11 6.09 -1.93 -1.27 117.51 125.69 2kkv h ILE 48 Ca -0.47 -0.32 0.00 0.00 -1.37 0.00 0.00 64.86 62.69 2kkv h ILE 48 Cb 1.19 1.26 0.00 0.00 0.47 0.00 0.00 36.82 39.74 2kkv h ILE 48 CO 0.64 0.04 -0.01 0.54 -3.07 0.00 0.00 178.15 176.29 2kkv n ARG 49 N -3.28 1.14 -3.06 2.19 1.74 -1.26 -4.34 116.66 109.79 2kkv n ARG 49 Ca -0.02 -0.29 -0.17 0.00 -0.77 0.00 0.00 57.85 56.60 2kkv n ARG 49 Cb 0.19 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.10 2kkv n ARG 49 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2kkv n GLN 50 N -0.67 0.50 -2.55 5.56 -0.06 -0.48 -4.98 117.38 114.70 2kkv n GLN 50 Ca 0.21 -2.62 -0.27 0.00 -2.00 0.00 0.00 57.00 52.32 2kkv n GLN 50 Cb 0.20 -1.48 0.01 0.00 -4.06 0.00 0.00 30.24 24.91 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 -0.14 3.49 0.49 1.69 2.01 -1.25 -4.37 118.68 120.60 2kkv s LEU 51 Ca 0.32 0.84 0.04 0.00 0.01 0.00 0.00 54.13 55.35 2kkv s LEU 51 Cb 0.09 -3.75 -0.01 0.00 0.01 0.00 0.00 46.19 42.53 2kkv s LEU 51 CO -0.15 -0.75 0.15 -0.54 1.01 0.00 0.00 176.35 176.07 2kkv s LYS 52 N -4.83 2.20 0.00 1.70 3.01 -1.26 -4.81 119.74 115.75 2kkv s LYS 52 Ca 0.50 -2.16 0.00 0.00 -1.01 0.00 0.00 55.97 53.30 2kkv s LYS 52 Cb -0.10 -1.79 0.00 0.00 -1.01 0.00 0.00 37.83 34.93 2kkv s LYS 52 CO 0.45 -0.36 0.00 0.25 0.51 0.00 0.00 175.35 176.20 2kkv n THR 53 N -1.37 0.00 0.28 2.17 -2.24 -1.26 -3.18 114.28 108.68 2kkv n THR 53 Ca -0.09 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.82 2kkv n THR 53 Cb 0.66 -1.73 0.74 0.00 -2.10 0.00 0.00 70.33 67.90 2kkv n THR 53 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2kkv h SER 54 N 0.00 0.00 0.37 3.42 0.02 -1.90 -2.38 113.55 113.08 2kkv h SER 54 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2kkv h SER 54 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2kkv h SER 54 CO 0.00 0.00 -0.16 1.12 -1.14 0.00 0.00 176.83 176.65 2kkv h HIS 55 N 0.00 0.00 0.00 3.45 2.07 -1.98 0.45 115.15 119.14 2kkv h HIS 55 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2kkv h HIS 55 Cb 0.53 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.51 2kkv h HIS 55 CO 0.00 0.16 0.00 1.37 -3.07 0.00 0.00 177.93 176.39 2kkv h LEU 56 N 0.00 0.00 0.00 6.12 8.10 -1.77 -2.88 115.31 124.88 2kkv h LEU 56 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2kkv h LEU 56 Cb 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.61 2kkv h LEU 56 CO 0.02 0.00 -0.59 0.25 -4.11 0.00 0.00 178.44 174.01 2kkv h LEU 57 N 0.00 0.00 -0.40 0.17 5.85 -1.10 -3.37 115.31 116.46 2kkv h LEU 57 Ca 0.00 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.70 2kkv h LEU 57 Cb 0.53 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.49 2kkv h LEU 57 CO 0.00 0.05 -0.13 0.00 -0.34 0.00 0.00 178.44 178.02 2kkv h ALA 58 N 2.31 0.21 -0.85 1.25 0.00 -1.45 -1.51 119.26 119.22 2kkv h ALA 58 Ca 0.00 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2kkv h ALA 58 Cb 0.85 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 2kkv h ALA 58 CO 0.00 -0.48 0.56 -1.35 0.00 0.00 0.00 179.25 177.97 2kkv h PRO 59 N -0.04 0.97 0.00 0.00 0.11 -1.79 -1.80 132.00 129.46 2kkv h PRO 59 Ca 0.19 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.21 2kkv h PRO 59 Cb 0.34 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.22 2kkv h PRO 59 CO -0.43 0.64 -0.16 0.82 -0.21 0.00 0.00 178.00 178.66 2kkv h ILE 60 N 1.00 0.52 -0.12 4.15 5.03 -1.53 -3.10 117.51 123.47 2kkv h ILE 60 Ca 0.35 -0.77 0.04 0.00 -0.12 0.00 0.00 64.86 64.36 2kkv h ILE 60 Cb 0.12 1.52 -0.00 0.00 -3.03 0.00 0.00 36.82 35.42 2kkv h ILE 60 CO -0.12 0.15 0.13 0.50 -0.68 0.00 0.00 178.15 178.14 2kkv h LYS 61 N 0.00 0.00 -0.26 2.37 3.11 -0.68 -2.10 116.57 119.01 2kkv h LYS 61 Ca -0.00 0.00 0.08 0.00 -2.81 0.00 0.00 60.65 57.91 2kkv h LYS 61 Cb 0.51 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.73 2kkv h LYS 61 CO 0.02 0.00 0.19 1.05 -2.81 0.00 0.00 179.45 177.90 2kkv h GLU 62 N 0.00 0.00 -0.02 1.90 -0.00 -1.70 0.59 114.58 115.36 2kkv h GLU 62 Ca 0.06 -0.00 -0.17 0.00 -0.00 0.00 0.00 59.36 59.25 2kkv h GLU 62 Cb 0.31 -0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.05 2kkv h GLU 62 CO -0.00 0.00 -0.74 -0.24 -0.00 0.00 0.00 179.01 178.03 2kkv h VAL 63 N 0.00 1.47 -0.30 -1.06 3.04 -1.64 -1.83 116.25 115.93 2kkv h VAL 63 Ca 0.12 -2.39 -0.05 0.00 -1.01 0.00 0.00 66.70 63.38 2kkv h VAL 63 Cb 0.50 2.29 -0.01 0.00 -2.01 0.00 0.00 31.29 32.06 2kkv h VAL 63 CO -0.00 0.69 0.00 -0.78 -1.01 0.00 0.00 177.57 176.47 2kkv h ASP 64 N 0.09 0.52 0.54 3.17 1.82 -0.95 -1.62 116.42 119.98 2kkv h ASP 64 Ca -0.02 -0.31 -0.06 0.00 -0.39 0.00 0.00 57.03 56.26 2kkv h ASP 64 Cb 1.31 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 41.17 2kkv h ASP 64 CO 0.11 0.70 -0.26 0.74 -1.61 0.00 0.00 179.24 178.91 2kkv h THR 65 N 0.33 0.85 0.00 2.25 2.02 -1.29 -0.99 112.91 116.08 2kkv h THR 65 Ca 0.09 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.22 2kkv h THR 65 Cb 0.43 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 2kkv h THR 65 CO 0.02 0.26 0.00 -1.20 0.37 0.00 0.00 175.52 174.96 2kkv n SER 66 N -3.73 0.00 0.00 4.18 7.64 -0.70 -4.83 113.62 116.19 2kkv n SER 66 Ca -0.01 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.69 2kkv n SER 66 Cb 0.37 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 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 0.26 1.71 3.28 0.23 0.00 -0.38 -5.02 105.19 105.27 2kkv n GLY 67 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.68 2kkv n GLY 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kkv n LYS 68 N -0.79 3.63 0.07 1.61 3.00 -0.63 -4.75 118.16 120.29 2kkv n LYS 68 Ca 0.00 -4.15 -0.07 0.00 -0.00 0.00 0.00 58.31 54.08 2kkv n LYS 68 Cb 0.00 -2.76 0.07 0.00 0.00 0.00 0.00 35.03 32.34 2kkv n LYS 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2kkv h HIS 69 N 6.53 0.42 0.12 5.64 3.86 -1.78 -3.26 115.15 126.67 2kkv h HIS 69 Ca 0.26 -0.18 0.01 0.00 -1.16 0.00 0.00 60.37 59.30 2kkv h HIS 69 Cb 0.80 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 29.18 2kkv h HIS 69 CO 0.97 0.89 -0.20 0.22 0.86 0.00 0.00 177.93 180.67 2kkv h ASP 70 N 0.22 -0.57 -0.28 2.45 3.58 -1.95 -1.51 116.42 118.37 2kkv h ASP 70 Ca -0.02 0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.46 2kkv h ASP 70 Cb 1.22 0.21 -0.02 0.00 1.72 0.00 0.00 39.33 42.47 2kkv h ASP 70 CO 0.11 -0.29 0.06 -0.37 -2.88 0.00 0.00 179.24 175.88 2kkv h VAL 71 N -0.39 1.18 0.04 2.25 -1.51 -1.97 -0.19 116.25 115.66 2kkv h VAL 71 Ca 0.02 -0.66 -0.00 0.00 -1.23 0.00 0.00 66.70 64.83 2kkv h VAL 71 Cb 0.41 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 2kkv h VAL 71 CO -0.11 0.24 -0.02 0.00 -1.23 0.00 0.00 177.57 176.45 2kkv h ALA 72 N 1.55 -0.05 -0.47 5.19 0.00 -1.57 -1.68 119.26 122.22 2kkv h ALA 72 Ca 0.12 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2kkv h ALA 72 Cb 0.24 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2kkv h ALA 72 CO 0.00 -0.35 0.26 0.37 0.00 0.00 0.00 179.25 179.53 2kkv h GLN 73 N -0.40 0.49 -0.64 0.00 5.75 -0.91 -0.20 115.11 119.21 2kkv h GLN 73 Ca -0.00 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 2kkv h GLN 73 Cb 0.37 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 2kkv h GLN 73 CO 0.01 0.33 0.35 0.00 -2.65 0.00 0.00 178.83 176.86 2kkv h ARG 74 N 0.51 0.90 -0.23 1.69 3.08 -1.03 -1.46 114.38 117.83 2kkv h ARG 74 Ca 0.20 -0.11 -0.19 0.00 0.07 0.00 0.00 59.98 59.95 2kkv h ARG 74 Cb 0.08 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.95 2kkv h ARG 74 CO -0.12 0.68 -0.62 -0.07 -1.07 0.00 0.00 179.97 178.77 2kkv h LEU 75 N 0.87 0.90 -0.70 3.04 -0.00 -0.78 0.94 115.31 119.58 2kkv h LEU 75 Ca 0.22 -0.52 -0.11 0.00 -0.00 0.00 0.00 57.88 57.48 2kkv h LEU 75 Cb 0.05 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.43 2kkv h LEU 75 CO -0.04 1.30 -0.13 0.06 -0.00 0.00 0.00 178.44 179.63 2kkv h GLN 76 N 0.59 0.86 0.00 1.13 3.07 -0.98 -1.44 115.11 118.34 2kkv h GLN 76 Ca -0.01 -0.31 -0.01 0.00 0.09 0.00 0.00 58.65 58.41 2kkv h GLN 76 Cb 1.22 -0.06 -0.00 0.00 0.08 0.00 0.00 27.48 28.72 2kkv h GLN 76 CO 0.13 0.94 -0.05 0.37 0.09 0.00 0.00 178.83 180.32 2kkv h GLN 77 N 0.77 0.00 -0.17 0.06 5.75 -1.18 -3.06 115.11 117.28 2kkv h GLN 77 Ca 0.12 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.46 2kkv h GLN 77 Cb 0.65 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.21 2kkv h GLN 77 CO 0.05 0.05 -0.52 -0.09 -2.65 0.00 0.00 178.83 175.66 2kkv h ARG 78 N 0.00 0.65 -0.57 1.69 9.65 0.08 -3.13 114.38 122.75 2kkv h ARG 78 Ca -0.00 -0.47 -0.02 0.00 -1.10 0.00 0.00 59.98 58.39 2kkv h ARG 78 Cb 0.69 0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.32 2kkv h ARG 78 CO 0.01 1.09 0.30 0.28 2.80 0.00 0.00 179.97 184.45 2kkv h VAL 79 N 0.33 1.20 -0.57 0.20 2.07 -1.20 -1.55 116.25 116.73 2kkv h VAL 79 Ca -0.02 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 2kkv h VAL 79 Cb 1.14 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 2kkv h VAL 79 CO 0.11 0.22 0.29 0.71 0.02 0.00 0.00 177.57 178.92 2kkv h THR 80 N 0.78 1.18 -0.36 2.57 1.35 -1.61 0.16 112.91 116.98 2kkv h THR 80 Ca 0.20 -0.50 -0.12 0.00 -0.55 0.00 0.00 66.41 65.44 2kkv h THR 80 Cb 0.08 0.44 -0.01 0.00 -1.73 0.00 0.00 68.15 66.93 2kkv h THR 80 CO -0.03 0.21 -0.24 0.00 -0.25 0.00 0.00 175.52 175.21 2kkv h ALA 81 N 1.52 0.51 -0.44 6.62 0.00 -1.40 -2.24 119.26 123.84 2kkv h ALA 81 Ca 0.20 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2kkv h ALA 81 Cb 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2kkv h ALA 81 CO -0.03 0.50 -0.04 0.82 0.00 0.00 0.00 179.25 180.49 2kkv h ILE 82 N 0.58 1.27 -0.53 0.00 2.04 -0.66 -2.79 117.51 117.42 2kkv h ILE 82 Ca 0.07 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.82 2kkv h ILE 82 Cb 0.80 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 2kkv h ILE 82 CO 0.07 0.38 0.34 -0.03 0.00 0.00 0.00 178.15 178.91 2kkv h MET 83 N 0.64 0.70 -0.88 2.37 4.05 -0.67 -2.27 114.93 118.88 2kkv h MET 83 Ca 0.12 -0.05 0.06 0.00 -0.28 0.00 0.00 59.70 59.55 2kkv h MET 83 Cb 0.56 -0.16 -0.06 0.00 -0.80 0.00 0.00 31.60 31.14 2kkv h MET 83 CO 0.03 0.47 0.55 -0.09 0.23 0.00 0.00 176.91 178.10 2kkv h ARG 84 N 0.72 0.97 0.00 0.39 9.65 -1.12 -1.46 114.38 123.54 2kkv h ARG 84 Ca 0.19 -0.06 -0.10 0.00 -1.10 0.00 0.00 59.98 58.91 2kkv h ARG 84 Cb -0.06 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.28 2kkv h ARG 84 CO -0.04 0.64 -0.48 1.88 2.80 0.00 0.00 179.97 184.78 2kkv h TYR 85 N 1.00 0.00 0.00 2.20 0.05 -1.40 0.08 116.97 118.91 2kkv h TYR 85 Ca 0.38 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 59.09 2kkv h TYR 85 Cb 0.16 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 2kkv h TYR 85 CO -0.03 0.48 -0.33 0.00 -1.05 0.00 0.00 178.16 177.23 2kkv h ALA 86 N 1.52 1.00 0.08 3.88 0.00 -1.19 -3.19 119.26 121.37 2kkv h ALA 86 Ca -0.00 -0.30 -0.30 0.00 0.00 0.00 0.00 54.91 54.30 2kkv h ALA 86 Cb 0.85 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2kkv h ALA 86 CO 0.06 0.42 -1.59 0.28 0.00 0.00 0.00 179.25 178.42 2kkv h VAL 87 N 0.00 1.06 -0.90 0.00 2.07 -0.52 -2.47 116.25 115.49 2kkv h VAL 87 Ca -0.00 -2.76 0.02 0.00 0.82 0.00 0.00 66.70 64.77 2kkv h VAL 87 Cb 0.86 2.66 -0.05 0.00 -1.52 0.00 0.00 31.29 33.24 2kkv h VAL 87 CO 0.04 0.77 0.60 0.06 0.02 0.00 0.00 177.57 179.06 2kkv h GLN 88 N 0.05 1.16 -0.01 1.57 3.07 -1.00 -0.38 115.11 119.57 2kkv h GLN 88 Ca -0.26 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.41 2kkv h GLN 88 Cb 2.00 -0.26 0.00 0.00 0.08 0.00 0.00 27.48 29.30 2kkv h GLN 88 CO 0.13 0.76 -0.12 0.09 0.09 0.00 0.00 178.83 179.78 2kkv n ASN 89 N -4.41 1.07 -2.93 0.06 3.02 -1.22 -4.98 115.26 105.86 2kkv n ASN 89 Ca 0.11 -1.08 -0.11 0.00 -0.03 0.00 0.00 54.58 53.48 2kkv n ASN 89 Cb 0.05 0.05 0.01 0.00 -0.61 0.00 0.00 39.78 39.28 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 -0.40 -7.70 -0.06 6.41 2.03 -0.15 -4.98 116.55 111.69 2kkv n ASP 90 Ca 0.16 0.42 -0.05 0.00 0.52 0.00 0.00 54.79 55.83 2kkv n ASP 90 Cb 0.33 -5.02 -0.11 0.00 -0.72 0.00 0.00 41.12 35.60 2kkv n ASP 90 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2kkv n TYR 91 N -0.41 0.00 -4.24 -0.67 4.01 -0.93 -5.02 117.16 109.90 2kkv n TYR 91 Ca 0.09 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.66 2kkv n TYR 91 Cb 0.49 -0.63 -0.13 0.00 -0.31 0.00 0.00 39.34 38.75 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 -2.40 0.72 -0.84 -0.72 -4.36 -1.26 -4.97 121.20 107.36 2kkv s ILE 92 Ca -0.07 -0.70 0.25 0.00 -0.26 0.00 0.00 60.65 59.87 2kkv s ILE 92 Cb 0.05 -0.66 0.01 0.00 1.25 0.00 0.00 42.46 43.10 2kkv s ILE 92 CO 0.56 -0.03 1.35 0.47 0.24 0.00 0.00 174.94 177.53 2kkv n ASP 93 N 2.24 0.57 -4.83 4.36 8.00 -1.26 -4.85 116.55 120.79 2kkv n ASP 93 Ca -0.17 -0.11 -0.35 0.00 0.71 0.00 0.00 54.79 54.87 2kkv n ASP 93 Cb 0.56 0.27 -0.06 0.00 -0.02 0.00 0.00 41.12 41.87 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 -3.51 6.96 -0.61 -2.24 0.01 -1.26 -5.05 113.70 108.00 2kkv s SER 94 Ca 0.09 1.30 0.03 0.00 1.31 0.00 0.00 55.95 58.68 2kkv s SER 94 Cb 0.16 -2.38 0.15 0.00 0.21 0.00 0.00 66.02 64.16 2kkv s SER 94 CO 0.72 0.03 0.38 0.20 0.41 0.00 0.00 173.24 174.98 2kkv s ASN 95 N -1.74 4.66 0.46 2.44 -0.87 -1.26 -5.03 114.94 113.60 2kkv s ASN 95 Ca 0.43 -3.32 0.00 0.00 -1.57 0.00 0.00 52.86 48.39 2kkv s ASN 95 Cb -0.16 -1.67 0.00 0.00 -0.02 0.00 0.00 41.25 39.40 2kkv s ASN 95 CO 0.20 -0.19 0.00 -2.65 -2.57 0.00 0.00 177.10 171.89 2kkv n PRO 96 N 2.72 0.43 -1.90 -0.60 -0.02 -1.26 -4.41 135.00 129.95 2kkv n PRO 96 Ca 0.11 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.41 2kkv n PRO 96 Cb 0.34 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.77 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 -3.00 -0.44 -2.75 3.55 0.00 -1.19 -4.95 120.51 111.72 2kkv n ALA 97 Ca 0.00 0.24 -0.35 0.00 0.00 0.00 0.00 53.44 53.32 2kkv n ALA 97 Cb 0.00 -1.91 -0.05 0.00 0.00 0.00 0.00 19.45 17.48 2kkv n ALA 97 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2kkv s SER 98 N -2.35 6.51 -1.60 0.00 0.01 -1.26 -4.13 113.70 110.88 2kkv s SER 98 Ca 0.00 0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.84 2kkv s SER 98 Cb 0.00 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 64.13 2kkv s SER 98 CO 0.00 0.28 0.00 -0.67 0.41 0.00 0.00 173.24 173.26 2kkv n ASP 99 N 1.29 -4.83 -0.11 2.44 2.03 -1.26 -4.55 116.55 111.56 2kkv n ASP 99 Ca -0.13 0.35 -0.23 0.00 0.52 0.00 0.00 54.79 55.30 2kkv n ASP 99 Cb 0.53 -3.71 -0.12 0.00 -0.72 0.00 0.00 41.12 37.11 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 -2.55 0.64 -1.75 -0.67 2.81 -1.26 -4.46 117.12 109.88 2kkv n MET 100 Ca -0.16 0.25 -0.40 0.00 -1.81 0.00 0.00 57.70 55.59 2kkv n MET 100 Cb 0.52 -1.56 -0.01 0.00 -0.71 0.00 0.00 33.22 31.45 2kkv n MET 100 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kkv n ALA 101 N -3.57 7.08 -2.09 3.04 0.00 -1.26 -4.74 120.51 118.96 2kkv n ALA 101 Ca -0.45 -3.89 0.00 0.00 0.00 0.00 0.00 53.44 49.10 2kkv n ALA 101 Cb 0.93 -2.99 0.00 0.00 0.00 0.00 0.00 19.45 17.39 2kkv n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kkv n GLY 102 N 2.40 2.36 5.14 0.00 0.00 -1.26 -4.99 105.19 108.84 2kkv n GLY 102 Ca 0.68 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.78 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 -3.00 0.00 1.37 4.61 0.00 -1.26 -3.37 120.51 118.86 2kkv n ALA 103 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2kkv n ALA 103 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 2kkv n ALA 103 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2kkv n LEU 104 N 0.00 1.02 -0.38 0.00 -0.00 -1.26 -3.69 117.00 112.69 2kkv n LEU 104 Ca 0.00 -0.51 0.05 0.00 -0.00 0.00 0.00 56.01 55.54 2kkv n LEU 104 Cb 0.00 -0.16 0.16 0.00 -0.00 0.00 0.00 43.42 43.42 2kkv n LEU 104 CO 0.00 0.23 0.62 -1.54 -0.00 0.00 0.00 177.39 176.71 2kkv n SER 105 N 0.00 1.12 -4.56 1.45 3.41 -1.22 -4.79 113.62 109.04 2kkv n SER 105 Ca 0.06 -1.92 -0.33 0.00 -0.26 0.00 0.00 58.87 56.42 2kkv n SER 105 Cb 0.18 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 63.96 2kkv n SER 105 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2kkv s THR 106 N -1.74 3.45 0.23 6.66 -4.23 -1.24 -4.97 115.64 113.80 2kkv s THR 106 Ca 0.17 -0.13 -0.19 0.00 -1.18 0.00 0.00 61.69 60.36 2kkv s THR 106 Cb 0.09 -4.07 -0.08 0.00 1.34 0.00 0.00 72.50 69.78 2kkv s THR 106 CO 0.12 -1.02 0.72 0.42 -0.54 0.00 0.00 174.62 174.33 2kkv s THR 107 N 9.25 4.59 -0.02 3.99 -4.23 -1.26 -5.08 115.64 122.88 2kkv s THR 107 Ca 0.66 1.23 0.03 0.00 -1.18 0.00 0.00 61.69 62.43 2kkv s THR 107 Cb -0.09 -3.82 -0.00 0.00 1.34 0.00 0.00 72.50 69.93 2kkv s THR 107 CO 0.08 0.16 -0.09 -0.54 -0.54 0.00 0.00 174.62 173.68 2kkv s LYS 108 N -2.10 0.87 0.00 3.99 -0.14 -1.26 -5.03 119.74 116.06 2kkv s LYS 108 Ca 0.44 -0.32 0.00 0.00 -1.36 0.00 0.00 55.97 54.73 2kkv s LYS 108 Cb -0.16 -0.83 0.00 0.00 -1.68 0.00 0.00 37.83 35.17 2kkv s LYS 108 CO 0.20 0.15 0.00 0.00 -0.76 0.00 0.00 175.35 174.95 2kkv n ALA 109 N 3.09 1.91 -1.44 5.17 0.00 -1.26 -5.18 120.51 122.80 2kkv n ALA 109 Ca -0.16 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.46 2kkv n ALA 109 Cb 0.55 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.92 2kkv n ALA 109 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2kkv n ARG 110 N -1.49 -3.23 -2.21 0.00 0.63 -1.26 -5.02 116.66 104.07 2kkv n ARG 110 Ca 0.00 2.57 -0.02 0.00 -0.92 0.00 0.00 57.85 59.48 2kkv n ARG 110 Cb 0.00 -3.81 -0.02 0.00 0.45 0.00 0.00 32.46 29.08 2kkv n ARG 110 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2kkv n HIS 111 N -4.32 -2.74 -3.24 -0.14 8.25 -1.26 -5.08 115.22 106.68 2kkv n HIS 111 Ca -0.08 1.47 -0.02 0.00 -0.26 0.00 0.00 57.72 58.83 2kkv n HIS 111 Cb 0.68 -3.06 -0.04 0.00 1.12 0.00 0.00 29.99 28.69 2kkv n HIS 111 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2kkv s TYR 112 N -0.64 -1.27 -0.52 4.41 5.04 -1.26 -5.12 117.35 117.99 2kkv s TYR 112 Ca -0.12 1.22 -0.27 0.00 -2.44 0.00 0.00 57.07 55.46 2kkv s TYR 112 Cb 0.01 0.28 0.03 0.00 0.35 0.00 0.00 41.96 42.63 2kkv s TYR 112 CO 0.50 -0.84 1.09 -1.25 -1.34 0.00 0.00 175.55 173.71 2kkv s PRO 113 N 2.71 3.56 -0.06 4.97 0.05 -1.26 -4.90 135.00 140.07 2kkv s PRO 113 Ca 0.16 0.26 -0.22 0.00 0.05 0.00 0.00 61.00 61.25 2kkv s PRO 113 Cb -0.15 -3.97 -0.17 0.00 0.05 0.00 0.00 34.50 30.26 2kkv s PRO 113 CO -0.20 -1.46 0.89 1.25 0.05 0.00 0.00 177.00 177.53 2kkv h LEU 114 N 11.29 -0.12 1.59 -3.56 5.85 -2.07 -3.46 115.31 124.82 2kkv h LEU 114 Ca -0.24 -0.46 -0.34 0.00 0.84 0.00 0.00 57.88 57.68 2kkv h LEU 114 Cb 1.06 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 42.03 2kkv h LEU 114 CO 1.12 0.49 -0.35 -0.62 -0.34 0.00 0.00 178.44 178.75 2kkv n GLU 115 N -4.86 -1.56 -3.25 1.25 1.02 -1.26 -4.89 120.64 107.09 2kkv n GLU 115 Ca -0.08 0.92 -0.46 0.00 -0.02 0.00 0.00 57.16 57.53 2kkv n GLU 115 Cb 0.28 -5.34 -0.04 0.00 -0.02 0.00 0.00 31.44 26.33 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 -2.55 3.36 -0.37 -0.32 2.46 -1.26 -4.97 115.29 111.64 2kkv s HIS 116 Ca 0.00 -1.47 0.01 0.00 0.47 0.00 0.00 55.06 54.07 2kkv s HIS 116 Cb 0.00 -3.89 0.11 0.00 -0.13 0.00 0.00 32.58 28.68 2kkv s HIS 116 CO 0.00 -1.10 0.15 -3.38 -2.47 0.00 0.00 174.74 167.94 2kkv s HIS 117 N 1.41 2.23 -0.26 3.88 -3.43 -1.26 -5.04 115.29 112.82 2kkv s HIS 117 Ca 0.12 -2.28 -0.04 0.00 -0.80 0.00 0.00 55.06 52.06 2kkv s HIS 117 Cb -0.20 -2.04 0.10 0.00 -1.43 0.00 0.00 32.58 29.00 2kkv s HIS 117 CO -0.01 -0.85 0.16 -1.01 -2.00 0.00 0.00 174.74 171.03 2kkv s HIS 118 N 0.93 0.12 -0.01 0.38 3.76 -1.26 -5.13 115.29 114.08 2kkv s HIS 118 Ca 0.13 -0.59 0.03 0.00 -0.15 0.00 0.00 55.06 54.48 2kkv s HIS 118 Cb -0.21 -0.75 -0.00 0.00 1.11 0.00 0.00 32.58 32.72 2kkv s HIS 118 CO -0.12 -0.78 -0.10 -3.38 -0.85 0.00 0.00 174.74 169.51 2kkv s HIS 119 N 2.17 0.97 0.21 1.40 -3.43 -1.26 -4.98 115.29 110.36 2kkv s HIS 119 Ca 0.08 -0.20 0.00 0.00 -0.80 0.00 0.00 55.06 54.13 2kkv s HIS 119 Cb -0.16 -0.65 0.00 0.00 -1.43 0.00 0.00 32.58 30.35 2kkv s HIS 119 CO -0.30 -0.05 0.00 -2.39 -2.00 0.00 0.00 174.74 170.00 2kkv n HIS 120 N 2.98 -3.24 0.00 0.38 1.44 -1.26 -5.36 115.22 110.16 2kkv n HIS 120 Ca -0.15 0.71 0.00 0.00 -2.01 0.00 0.00 57.72 56.27 2kkv n HIS 120 Cb 0.56 2.01 0.00 0.00 0.12 0.00 0.00 29.99 32.67 2kkv n HIS 120 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11