#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkv s GLU 2 N 0.00 4.64 0.01 0.03 8.01 -1.26 -4.96 118.70 125.17 2kkv s GLU 2 Ca 0.00 1.78 -0.30 0.00 0.01 0.00 0.00 54.97 56.46 2kkv s GLU 2 Cb 0.00 -3.21 -0.06 0.00 -4.31 0.00 0.00 34.13 26.55 2kkv s GLU 2 CO 0.00 0.19 1.49 1.21 0.01 0.00 0.00 175.26 178.17 2kkv s ASN 3 N -0.73 6.77 -0.22 -0.19 3.84 -1.26 -4.88 114.94 118.27 2kkv s ASN 3 Ca 0.45 2.22 0.13 0.00 0.21 0.00 0.00 52.86 55.87 2kkv s ASN 3 Cb -0.31 -2.56 0.45 0.00 -0.55 0.00 0.00 41.25 38.28 2kkv s ASN 3 CO 0.39 -0.79 1.19 -1.20 -2.79 0.00 0.00 177.10 173.90 2kkv n SER 4 N 5.66 2.81 -2.26 -4.21 7.64 -1.26 -4.94 113.62 117.06 2kkv n SER 4 Ca 0.14 -3.38 -0.15 0.00 1.01 0.00 0.00 58.87 56.50 2kkv n SER 4 Cb 0.43 -0.42 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 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 -0.70 3.00 2.99 0.23 0.00 -1.26 -4.74 105.19 104.71 2kkv n GLY 5 Ca 0.25 -1.13 -0.21 0.00 0.00 0.00 0.00 46.02 44.93 2kkv n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kkv s ALA 6 N 1.42 0.94 -0.71 4.61 0.00 -1.26 -5.10 121.76 121.66 2kkv s ALA 6 Ca 0.61 -0.31 -0.22 0.00 0.00 0.00 0.00 51.96 52.04 2kkv s ALA 6 Cb 0.27 -0.40 0.08 0.00 0.00 0.00 0.00 23.12 23.07 2kkv s ALA 6 CO -0.01 0.11 0.99 0.71 0.00 0.00 0.00 175.76 177.57 2kkv s TYR 7 N 0.42 2.75 0.00 0.00 2.02 -1.26 -4.69 117.35 116.59 2kkv s TYR 7 Ca -0.07 -0.71 0.00 0.00 -0.37 0.00 0.00 57.07 55.92 2kkv s TYR 7 Cb -0.11 -4.29 0.00 0.00 -0.40 0.00 0.00 41.96 37.15 2kkv s TYR 7 CO 0.01 -1.62 0.00 0.25 -1.57 0.00 0.00 175.55 172.62 2kkv n THR 8 N 5.86 0.00 0.19 -0.71 -2.24 -1.26 -4.99 114.28 111.13 2kkv n THR 8 Ca 0.01 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.83 2kkv n THR 8 Cb 0.46 -0.17 0.36 0.00 -2.10 0.00 0.00 70.33 68.87 2kkv n THR 8 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2kkv h PHE 9 N 0.73 0.00 -0.23 4.78 3.57 -1.94 -3.14 116.94 120.72 2kkv h PHE 9 Ca 0.00 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 2kkv h PHE 9 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2kkv h PHE 9 CO 0.00 0.39 -0.11 1.49 -2.23 0.00 0.00 178.31 177.85 2kkv h GLU 10 N 0.00 0.47 -0.47 1.11 4.81 -1.95 -3.27 114.58 115.28 2kkv h GLU 10 Ca -0.00 -0.21 0.09 0.00 -0.13 0.00 0.00 59.36 59.11 2kkv h GLU 10 Cb 0.78 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.07 2kkv h GLU 10 CO 0.05 0.75 0.03 1.15 -0.73 0.00 0.00 179.01 180.26 2kkv h THR 11 N 0.18 0.66 -0.32 0.32 2.02 -1.82 0.41 112.91 114.37 2kkv h THR 11 Ca 0.05 -0.05 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 2kkv h THR 11 Cb 0.61 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2kkv h THR 11 CO 0.03 0.03 -0.31 0.40 0.37 0.00 0.00 175.52 176.04 2kkv h ILE 12 N 0.15 1.29 0.00 3.11 2.04 -1.67 -0.60 117.51 121.83 2kkv h ILE 12 Ca 0.24 -1.48 -0.11 0.00 1.00 0.00 0.00 64.86 64.52 2kkv h ILE 12 Cb 0.34 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 2kkv h ILE 12 CO -0.37 0.48 -0.51 0.00 0.00 0.00 0.00 178.15 177.75 2kkv h ALA 13 N 0.73 1.08 -0.28 1.87 0.00 -1.50 -2.92 119.26 118.24 2kkv h ALA 13 Ca 0.05 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 2kkv h ALA 13 Cb 0.88 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2kkv h ALA 13 CO 0.08 0.64 -0.36 -0.09 0.00 0.00 0.00 179.25 179.51 2kkv h ARG 14 N 0.00 0.64 0.41 0.00 2.43 0.12 -2.94 114.38 115.04 2kkv h ARG 14 Ca -0.01 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 2kkv h ARG 14 Cb 0.95 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.47 2kkv h ARG 14 CO 0.07 0.91 -0.46 1.49 -1.51 0.00 0.00 179.97 180.46 2kkv h GLU 15 N 0.54 -0.87 0.00 0.20 4.22 -0.90 0.56 114.58 118.32 2kkv h GLU 15 Ca 0.05 0.06 -0.07 0.00 0.08 0.00 0.00 59.36 59.48 2kkv h GLU 15 Cb 0.87 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2kkv h GLU 15 CO 0.08 -0.58 -0.35 0.11 -2.18 0.00 0.00 179.01 176.08 2kkv h TRP 16 N -0.90 0.00 0.00 0.92 5.08 -1.69 -2.92 115.95 116.44 2kkv h TRP 16 Ca -0.04 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.86 2kkv h TRP 16 Cb 0.81 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.96 2kkv h TRP 16 CO -0.26 0.35 -0.35 1.25 -1.28 0.00 0.00 178.44 178.15 2kkv h HIS 17 N 0.00 0.00 0.00 0.12 2.76 -1.19 -2.48 115.15 114.36 2kkv h HIS 17 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2kkv h HIS 17 Cb 0.99 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.95 2kkv h HIS 17 CO 0.00 0.35 0.00 0.93 -1.30 0.00 0.00 177.93 177.91 2kkv h GLU 18 N 0.00 0.00 0.00 5.26 5.08 -0.70 -0.66 114.58 123.56 2kkv h GLU 18 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kkv h GLU 18 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2kkv h GLU 18 CO 0.04 0.00 0.00 0.77 -1.00 0.00 0.00 179.01 178.82 2kkv h SER 19 N 0.00 0.00 0.03 1.42 0.02 -1.56 -2.70 113.55 110.77 2kkv h SER 19 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kkv h SER 19 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2kkv h SER 19 CO 0.00 0.00 -0.18 -3.20 -1.14 0.00 0.00 176.83 172.31 2kkv n ASN 20 N -2.36 1.97 -0.37 3.07 5.15 -0.26 -5.06 115.26 117.39 2kkv n ASN 20 Ca 0.04 -1.52 0.03 0.00 -0.60 0.00 0.00 54.58 52.53 2kkv n ASN 20 Cb 0.36 0.15 -0.02 0.00 -0.53 0.00 0.00 39.78 39.74 2kkv n ASN 20 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2kkv n LYS 21 N 0.29 -0.91 -1.66 1.20 4.76 -1.02 -5.08 118.16 115.74 2kkv n LYS 21 Ca 0.14 0.73 0.00 0.00 -2.87 0.00 0.00 58.31 56.30 2kkv n LYS 21 Cb 0.45 -0.99 0.00 0.00 -1.84 0.00 0.00 35.03 32.65 2kkv n LYS 21 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2kkv n ARG 22 N -2.33 -3.36 0.08 1.97 0.63 -1.26 -4.89 116.66 107.50 2kkv n ARG 22 Ca -0.02 2.60 0.00 0.00 -0.92 0.00 0.00 57.85 59.51 2kkv n ARG 22 Cb 0.16 -2.90 0.00 0.00 0.45 0.00 0.00 32.46 30.17 2kkv n ARG 22 CO 0.00 0.00 0.00 -2.67 -2.51 0.00 0.00 177.63 172.45 2kkv n TRP 23 N 1.16 -1.36 -2.22 -0.14 2.14 -1.26 -4.88 117.44 110.88 2kkv n TRP 23 Ca 0.00 0.24 0.00 0.00 2.07 0.00 0.00 57.50 59.81 2kkv n TRP 23 Cb 0.00 0.54 0.00 0.00 -0.81 0.00 0.00 31.31 31.04 2kkv n TRP 23 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 2kkv n SER 24 N -3.02 -8.91 0.18 -0.67 2.88 -1.26 -4.12 113.62 98.70 2kkv n SER 24 Ca 0.00 1.62 0.02 0.00 -1.33 0.00 0.00 58.87 59.18 2kkv n SER 24 Cb 0.00 -5.04 0.32 0.00 -0.75 0.00 0.00 64.21 58.74 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 4.37 0.00 -0.02 -1.46 3.07 -1.98 0.21 114.58 118.78 2kkv h GLU 25 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 2kkv h GLU 25 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2kkv h GLU 25 CO 0.00 0.43 -0.09 0.22 -1.40 0.00 0.00 179.01 178.17 2kkv h ASP 26 N 0.00 0.11 0.81 1.42 3.58 -2.03 -3.15 116.42 117.17 2kkv h ASP 26 Ca -0.00 -0.65 -0.05 0.00 0.42 0.00 0.00 57.03 56.74 2kkv h ASP 26 Cb 0.78 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 2kkv h ASP 26 CO 0.06 0.75 -0.24 -0.74 -2.88 0.00 0.00 179.24 176.18 2kkv h HIS 27 N -0.51 0.00 -0.87 0.28 2.76 -1.83 -3.30 115.15 111.67 2kkv h HIS 27 Ca -0.01 0.00 0.23 0.00 -2.20 0.00 0.00 60.37 58.39 2kkv h HIS 27 Cb 0.74 0.00 -0.13 0.00 1.55 0.00 0.00 27.41 29.57 2kkv h HIS 27 CO 0.15 0.24 0.29 -0.09 -1.30 0.00 0.00 177.93 177.22 2kkv h ARG 28 N 0.00 0.26 -0.59 5.26 9.65 -0.52 0.24 114.38 128.67 2kkv h ARG 28 Ca -0.00 -0.02 0.12 0.00 -1.10 0.00 0.00 59.98 58.98 2kkv h ARG 28 Cb 0.71 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.20 2kkv h ARG 28 CO 0.03 0.17 0.40 0.77 2.80 0.00 0.00 179.97 184.15 2kkv h SER 29 N 0.27 0.26 0.40 -3.80 0.02 -1.71 0.32 113.55 109.30 2kkv h SER 29 Ca 0.55 0.01 -0.32 0.00 -0.84 0.00 0.00 61.79 61.19 2kkv h SER 29 Cb 1.08 -0.04 0.02 0.00 0.14 0.00 0.00 62.40 63.60 2kkv h SER 29 CO -0.60 0.15 -1.45 0.03 -1.14 0.00 0.00 176.83 173.81 2kkv h ARG 30 N 0.28 0.40 -0.58 3.45 -0.00 -0.81 -3.17 114.38 113.96 2kkv h ARG 30 Ca 0.28 -0.69 -0.08 0.00 -0.50 0.00 0.00 59.98 59.00 2kkv h ARG 30 Cb 0.72 0.26 -0.02 0.00 0.00 0.00 0.00 29.97 30.92 2kkv h ARG 30 CO -0.06 1.32 0.05 0.28 0.00 0.00 0.00 179.97 181.55 2kkv h VAL 31 N 0.11 1.25 -0.65 2.04 2.07 -0.42 -1.71 116.25 118.94 2kkv h VAL 31 Ca -0.23 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.22 2kkv h VAL 31 Cb 2.08 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.58 2kkv h VAL 31 CO 0.23 0.38 0.25 -0.07 0.02 0.00 0.00 177.57 178.37 2kkv h LEU 32 N 0.89 0.89 -0.80 2.57 4.07 -0.52 0.10 115.31 122.51 2kkv h LEU 32 Ca 0.17 -0.13 -0.13 0.00 0.08 0.00 0.00 57.88 57.88 2kkv h LEU 32 Cb 0.45 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 2kkv h LEU 32 CO 0.02 0.80 -0.59 -0.09 -1.08 0.00 0.00 178.44 177.50 2kkv h ARG 33 N 0.95 0.03 -0.09 1.13 1.12 -1.46 -3.08 114.38 112.97 2kkv h ARG 33 Ca 0.22 -0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 59.03 2kkv h ARG 33 Cb 0.20 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.16 2kkv h ARG 33 CO -0.02 0.61 -0.09 -0.92 -3.11 0.00 0.00 179.97 176.44 2kkv h TYR 34 N 0.02 0.27 0.00 2.20 3.20 -0.36 -3.21 116.97 119.10 2kkv h TYR 34 Ca -0.01 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 2kkv h TYR 34 Cb 1.05 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.26 2kkv h TYR 34 CO 0.00 0.65 -0.04 1.37 -1.64 0.00 0.00 178.16 178.50 2kkv h LEU 35 N -0.19 0.00 -0.84 2.82 8.10 -0.85 0.10 115.31 124.46 2kkv h LEU 35 Ca 0.02 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.88 2kkv h LEU 35 Cb 0.60 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.81 2kkv h LEU 35 CO 0.02 0.04 -0.50 -0.33 -4.11 0.00 0.00 178.44 173.56 2kkv h GLU 36 N 0.00 0.20 0.00 0.17 5.08 -1.54 -1.10 114.58 117.39 2kkv h GLU 36 Ca -0.00 -0.11 -0.32 0.00 -1.00 0.00 0.00 59.36 57.93 2kkv h GLU 36 Cb 0.46 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 2kkv h GLU 36 CO 0.01 0.66 -2.19 1.28 -1.00 0.00 0.00 179.01 177.76 2kkv n LEU 37 N -3.95 1.17 -0.07 1.33 4.32 -0.90 -2.68 117.00 116.21 2kkv n LEU 37 Ca -0.02 -0.05 -0.13 0.00 -0.02 0.00 0.00 56.01 55.80 2kkv n LEU 37 Cb 0.54 -0.04 -0.14 0.00 -1.62 0.00 0.00 43.42 42.15 2kkv n LEU 37 CO 0.43 0.59 -0.99 0.00 -1.22 0.00 0.00 177.39 176.20 2kkv n TYR 38 N -2.82 0.42 -0.07 -1.77 9.36 -0.02 -4.45 117.16 117.79 2kkv n TYR 38 Ca -0.32 0.13 -0.06 0.00 3.32 0.00 0.00 57.90 60.97 2kkv n TYR 38 Cb 1.00 -1.07 -0.02 0.00 -0.63 0.00 0.00 39.34 38.62 2kkv n TYR 38 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 2kkv n ILE 39 N -3.02 1.20 -3.64 2.97 2.08 -0.97 -4.86 119.36 113.13 2kkv n ILE 39 Ca -0.31 0.22 -0.28 0.00 0.56 0.00 0.00 62.75 62.94 2kkv n ILE 39 Cb 1.08 -2.20 -0.12 0.00 -0.75 0.00 0.00 39.64 37.65 2kkv n ILE 39 CO 0.00 0.00 0.00 0.72 0.56 0.00 0.00 176.55 177.83 2kkv s PHE 40 N -2.40 1.99 -0.03 1.39 -0.12 -0.45 -5.00 117.98 113.36 2kkv s PHE 40 Ca -0.20 -2.56 -0.21 0.00 -0.05 0.00 0.00 56.93 53.91 2kkv s PHE 40 Cb 0.03 -1.71 -0.14 0.00 -0.63 0.00 0.00 43.02 40.57 2kkv s PHE 40 CO 0.30 -0.74 0.92 -1.35 -0.05 0.00 0.00 175.22 174.30 2kkv h PRO 41 N 6.07 -0.39 -0.00 1.99 0.11 -1.73 -2.86 132.00 135.19 2kkv h PRO 41 Ca 0.12 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2kkv h PRO 41 Cb 0.88 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2kkv h PRO 41 CO 0.49 -0.06 -0.81 0.72 -0.21 0.00 0.00 178.00 178.13 2kkv n HIS 42 N -5.07 0.00 0.38 0.65 8.25 -1.26 -4.21 115.22 113.96 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 0.26 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.51 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 -1.36 0.37 1.41 1.59 -5.35 -1.26 -4.19 119.36 110.58 2kkv n ILE 43 Ca 0.03 -0.69 0.10 0.00 -0.27 0.00 0.00 62.75 61.93 2kkv n ILE 43 Cb 0.28 1.06 0.42 0.00 -1.74 0.00 0.00 39.64 39.65 2kkv n ILE 43 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kkv n GLY 44 N 1.12 -0.03 1.27 3.28 0.00 -1.08 -3.52 105.19 106.23 2kkv n GLY 44 Ca 0.14 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 0.05 3.72 -4.25 1.61 7.64 -1.26 -4.90 113.62 116.23 2kkv n SER 45 Ca 0.16 -2.21 -0.23 0.00 1.01 0.00 0.00 58.87 57.59 2kkv n SER 45 Cb 0.26 -0.48 -0.13 0.00 -1.01 0.00 0.00 64.21 62.86 2kkv n SER 45 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2kkv s SER 46 N -0.90 2.32 0.45 6.43 0.15 -1.23 -5.14 113.70 115.78 2kkv s SER 46 Ca 0.42 -0.63 -0.16 0.00 0.70 0.00 0.00 55.95 56.29 2kkv s SER 46 Cb 0.25 -0.13 -0.08 0.00 -1.71 0.00 0.00 66.02 64.34 2kkv s SER 46 CO 0.24 0.05 0.90 -0.62 1.20 0.00 0.00 173.24 175.01 2kkv s ASP 47 N -1.68 6.68 0.21 5.45 2.15 -1.26 -4.95 116.67 123.26 2kkv s ASP 47 Ca 0.05 1.45 0.23 0.00 0.43 0.00 0.00 52.55 54.71 2kkv s ASP 47 Cb -0.10 -2.45 0.92 0.00 -0.30 0.00 0.00 42.92 40.99 2kkv s ASP 47 CO 0.03 -0.45 1.69 0.00 -0.17 0.00 0.00 175.17 176.27 2kkv n ILE 48 N -1.18 0.81 0.28 4.11 3.06 -1.26 -1.56 119.36 123.61 2kkv n ILE 48 Ca 0.05 0.17 0.14 0.00 -2.50 0.00 0.00 62.75 60.62 2kkv n ILE 48 Cb 0.54 -1.06 0.80 0.00 0.54 0.00 0.00 39.64 40.45 2kkv n ILE 48 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 2kkv h ARG 49 N 0.00 0.00 -2.71 9.51 2.43 -1.92 -3.29 114.38 118.39 2kkv h ARG 49 Ca 0.00 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.56 2kkv h ARG 49 Cb 0.39 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.54 2kkv h ARG 49 CO 0.00 0.08 -0.73 0.94 -1.51 0.00 0.00 179.97 178.75 2kkv n GLN 50 N -3.63 1.33 -2.72 0.20 -0.06 -0.60 -4.89 117.38 107.01 2kkv n GLN 50 Ca -0.02 -4.03 -0.26 0.00 -2.00 0.00 0.00 57.00 50.69 2kkv n GLN 50 Cb 0.20 -2.03 0.01 0.00 -4.06 0.00 0.00 30.24 24.35 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 -1.08 3.60 0.27 1.69 1.98 -1.24 -4.69 118.68 119.22 2kkv s LEU 51 Ca 0.29 0.76 0.10 0.00 -2.89 0.00 0.00 54.13 52.39 2kkv s LEU 51 Cb 0.01 -3.67 -0.05 0.00 0.66 0.00 0.00 46.19 43.14 2kkv s LEU 51 CO -0.16 -0.65 -0.14 -0.54 -1.89 0.00 0.00 176.35 172.97 2kkv s LYS 52 N -4.72 1.60 0.00 1.98 -0.14 -1.26 -5.08 119.74 112.12 2kkv s LYS 52 Ca 0.48 -1.76 0.00 0.00 -1.36 0.00 0.00 55.97 53.32 2kkv s LYS 52 Cb -0.10 -1.49 0.00 0.00 -1.68 0.00 0.00 37.83 34.56 2kkv s LYS 52 CO 0.43 0.21 0.00 0.25 -0.76 0.00 0.00 175.35 175.48 2kkv n THR 53 N -0.59 0.00 0.08 2.17 -2.24 -1.26 -4.72 114.28 107.72 2kkv n THR 53 Ca -0.06 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.75 2kkv n THR 53 Cb 0.61 -1.57 0.17 0.00 -2.10 0.00 0.00 70.33 67.44 2kkv n THR 53 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2kkv n SER 54 N -0.86 0.16 -0.21 3.42 7.64 -1.26 -1.14 113.62 121.37 2kkv n SER 54 Ca 0.00 0.42 0.04 0.00 1.01 0.00 0.00 58.87 60.34 2kkv n SER 54 Cb 0.00 -0.40 0.31 0.00 -1.01 0.00 0.00 64.21 63.11 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 0.85 0.00 1.43 -0.00 -1.99 -1.26 115.15 114.18 2kkv h HIS 55 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 2kkv h HIS 55 Cb 0.49 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 2kkv h HIS 55 CO 0.00 0.48 0.00 1.37 -0.00 0.00 0.00 177.93 179.78 2kkv h LEU 56 N 0.87 0.00 -0.39 2.43 -0.00 -1.42 -2.89 115.31 113.90 2kkv h LEU 56 Ca 0.31 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.19 2kkv h LEU 56 Cb 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.80 2kkv h LEU 56 CO -0.10 0.00 -0.01 0.25 -0.00 0.00 0.00 178.44 178.58 2kkv h LEU 57 N 0.00 0.00 0.16 0.17 5.85 -1.40 -3.33 115.31 116.76 2kkv h LEU 57 Ca 0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 2kkv h LEU 57 Cb 0.56 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 2kkv h LEU 57 CO 0.00 0.01 -0.21 0.00 -0.34 0.00 0.00 178.44 177.90 2kkv h ALA 58 N 1.99 -0.39 -0.63 1.25 0.00 -1.55 0.30 119.26 120.23 2kkv h ALA 58 Ca -0.00 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.94 2kkv h ALA 58 Cb 0.88 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 2kkv h ALA 58 CO 0.00 -0.76 0.30 -1.35 0.00 0.00 0.00 179.25 177.45 2kkv h PRO 59 N -0.43 0.53 -0.02 0.00 0.11 -1.79 -2.09 132.00 128.31 2kkv h PRO 59 Ca 0.02 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.01 2kkv h PRO 59 Cb 0.43 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 2kkv h PRO 59 CO -0.09 0.35 -0.39 0.82 -0.21 0.00 0.00 178.00 178.48 2kkv h ILE 60 N 0.55 1.29 0.00 4.15 1.08 -1.61 -2.60 117.51 120.36 2kkv h ILE 60 Ca 0.30 -1.37 -0.06 0.00 -0.39 0.00 0.00 64.86 63.34 2kkv h ILE 60 Cb 0.28 1.71 -0.01 0.00 -3.07 0.00 0.00 36.82 35.73 2kkv h ILE 60 CO -0.23 0.39 -0.28 0.50 -0.69 0.00 0.00 178.15 177.84 2kkv h LYS 61 N 0.03 0.00 -0.11 2.37 1.63 0.28 -2.16 116.57 118.61 2kkv h LYS 61 Ca 0.00 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 2kkv h LYS 61 Cb 0.71 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 2kkv h LYS 61 CO 0.05 0.28 0.01 1.49 -3.45 0.00 0.00 179.45 177.83 2kkv h GLU 62 N 0.00 0.04 -0.79 1.90 4.81 -1.17 0.19 114.58 119.56 2kkv h GLU 62 Ca -0.00 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2kkv h GLU 62 Cb 0.70 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.03 2kkv h GLU 62 CO 0.04 0.03 0.38 0.28 -0.73 0.00 0.00 179.01 179.01 2kkv h VAL 63 N 0.04 1.25 0.45 0.32 2.07 -1.52 0.20 116.25 119.06 2kkv h VAL 63 Ca 0.05 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 2kkv h VAL 63 Cb 0.05 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 2kkv h VAL 63 CO -0.08 0.30 -0.44 -0.78 0.02 0.00 0.00 177.57 176.59 2kkv h ASP 64 N 1.12 -1.18 1.83 0.57 3.58 -0.98 -1.58 116.42 119.77 2kkv h ASP 64 Ca 0.27 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.82 2kkv h ASP 64 Cb 0.12 0.39 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2kkv h ASP 64 CO -0.03 -0.59 0.00 0.74 -2.88 0.00 0.00 179.24 176.47 2kkv h THR 65 N -0.89 0.00 -0.07 2.25 2.02 -0.45 -2.65 112.91 113.11 2kkv h THR 65 Ca -0.04 -0.91 -0.13 0.00 0.77 0.00 0.00 66.41 66.10 2kkv h THR 65 Cb 0.78 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 2kkv h THR 65 CO -0.06 0.00 -0.56 -1.28 0.37 0.00 0.00 175.52 174.00 2kkv h SER 66 N 0.00 0.22 0.00 4.18 0.87 -0.53 -3.46 113.55 114.82 2kkv h SER 66 Ca 0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2kkv h SER 66 Cb 0.91 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2kkv h SER 66 CO 0.00 0.73 0.00 0.61 -0.53 0.00 0.00 176.83 177.64 2kkv n GLY 67 N 0.14 -0.35 3.45 5.77 0.00 -1.04 -5.06 105.19 108.10 2kkv n GLY 67 Ca -0.02 -0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 2kkv n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kkv s LYS 68 N 0.00 4.07 -0.05 1.61 -0.14 -0.62 -4.79 119.74 119.82 2kkv s LYS 68 Ca 0.00 -2.59 -0.22 0.00 -1.36 0.00 0.00 55.97 51.79 2kkv s LYS 68 Cb 0.00 -5.01 -0.17 0.00 -1.68 0.00 0.00 37.83 30.97 2kkv s LYS 68 CO 0.00 -1.72 0.91 0.45 -0.76 0.00 0.00 175.35 174.23 2kkv h HIS 69 N 7.21 -0.15 -0.18 3.18 3.86 -1.69 -3.21 115.15 124.17 2kkv h HIS 69 Ca 0.29 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.50 2kkv h HIS 69 Cb 0.88 0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.40 2kkv h HIS 69 CO 1.07 0.33 0.10 0.22 0.86 0.00 0.00 177.93 180.51 2kkv h ASP 70 N -0.82 0.22 -0.46 2.45 1.82 -1.88 -1.74 116.42 116.01 2kkv h ASP 70 Ca -0.02 -0.07 -0.05 0.00 -0.39 0.00 0.00 57.03 56.50 2kkv h ASP 70 Cb 0.55 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.48 2kkv h ASP 70 CO 0.03 0.23 0.13 -0.37 -1.61 0.00 0.00 179.24 177.64 2kkv h VAL 71 N 0.19 1.22 -0.34 2.25 -1.51 -1.98 -1.28 116.25 114.80 2kkv h VAL 71 Ca 0.06 -0.79 -0.07 0.00 -1.23 0.00 0.00 66.70 64.67 2kkv h VAL 71 Cb 0.05 0.68 -0.01 0.00 -2.13 0.00 0.00 31.29 29.89 2kkv h VAL 71 CO -0.01 0.29 -0.06 0.00 -1.23 0.00 0.00 177.57 176.56 2kkv h ALA 72 N 1.37 0.46 -0.42 5.19 0.00 -1.49 0.24 119.26 124.61 2kkv h ALA 72 Ca 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2kkv h ALA 72 Cb 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2kkv h ALA 72 CO -0.00 0.28 0.20 1.96 0.00 0.00 0.00 179.25 181.69 2kkv h GLN 73 N 0.42 0.61 -0.20 0.00 1.08 -1.09 0.27 115.11 116.20 2kkv h GLN 73 Ca 0.09 -0.09 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 2kkv h GLN 73 Cb 0.55 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 2kkv h GLN 73 CO 0.03 0.53 -0.01 0.00 -0.95 0.00 0.00 178.83 178.44 2kkv h ARG 74 N 0.54 0.28 -0.01 1.46 3.08 -1.10 -1.54 114.38 117.09 2kkv h ARG 74 Ca 0.14 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 2kkv h ARG 74 Cb 0.13 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2kkv h ARG 74 CO -0.02 0.32 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.08 2kkv h LEU 75 N 0.28 0.06 -0.62 3.04 4.07 -0.25 -3.15 115.31 118.74 2kkv h LEU 75 Ca 0.07 -0.66 -0.01 0.00 0.08 0.00 0.00 57.88 57.36 2kkv h LEU 75 Cb 0.21 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 41.90 2kkv h LEU 75 CO 0.00 0.71 0.36 0.06 -1.08 0.00 0.00 178.44 178.50 2kkv h GLN 76 N -0.59 0.86 0.00 1.13 3.07 -0.32 -1.33 115.11 117.93 2kkv h GLN 76 Ca -0.00 -0.09 -0.00 0.00 0.09 0.00 0.00 58.65 58.65 2kkv h GLN 76 Cb 0.71 -0.17 -0.00 0.00 0.08 0.00 0.00 27.48 28.10 2kkv h GLN 76 CO 0.01 0.63 -0.01 0.37 0.09 0.00 0.00 178.83 179.93 2kkv h GLN 77 N 0.84 0.00 0.00 0.06 4.15 -1.41 -2.07 115.11 116.69 2kkv h GLN 77 Ca 0.22 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.62 2kkv h GLN 77 Cb 0.01 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.70 2kkv h GLN 77 CO -0.04 0.01 -0.11 -0.09 -1.93 0.00 0.00 178.83 176.67 2kkv h ARG 78 N 0.00 0.00 -0.51 1.69 9.65 -1.19 -2.81 114.38 121.21 2kkv h ARG 78 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2kkv h ARG 78 Cb 0.01 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.57 2kkv h ARG 78 CO 0.00 0.11 0.33 0.28 2.80 0.00 0.00 179.97 183.49 2kkv h VAL 79 N 0.00 1.13 -0.80 0.20 2.07 -1.35 -1.57 116.25 115.94 2kkv h VAL 79 Ca -0.00 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2kkv h VAL 79 Cb 0.55 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 2kkv h VAL 79 CO 0.01 0.13 0.48 0.71 0.02 0.00 0.00 177.57 178.92 2kkv h THR 80 N 0.69 1.23 -0.47 2.57 1.35 -1.67 0.53 112.91 117.13 2kkv h THR 80 Ca 0.18 -0.51 -0.12 0.00 -0.55 0.00 0.00 66.41 65.42 2kkv h THR 80 Cb -0.06 0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 66.46 2kkv h THR 80 CO -0.04 0.24 -0.17 0.00 -0.25 0.00 0.00 175.52 175.30 2kkv h ALA 81 N 1.25 0.66 -0.46 6.62 0.00 -1.50 -2.19 119.26 123.65 2kkv h ALA 81 Ca 0.29 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2kkv h ALA 81 Cb -0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2kkv h ALA 81 CO -0.05 0.61 0.29 0.82 0.00 0.00 0.00 179.25 180.92 2kkv h ILE 82 N 0.80 1.08 -0.88 0.00 2.04 -0.73 -1.78 117.51 118.03 2kkv h ILE 82 Ca 0.11 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.81 2kkv h ILE 82 Cb 0.74 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 2kkv h ILE 82 CO 0.06 0.11 0.58 0.24 0.00 0.00 0.00 178.15 179.13 2kkv h MET 83 N 0.58 1.07 -0.41 2.37 2.86 -0.77 -0.80 114.93 119.83 2kkv h MET 83 Ca 0.18 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2kkv h MET 83 Cb -0.02 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.38 2kkv h MET 83 CO -0.06 0.71 0.24 -0.09 1.06 0.00 0.00 176.91 178.77 2kkv h ARG 84 N 1.10 0.56 -0.04 1.72 2.43 -0.69 -0.68 114.38 118.78 2kkv h ARG 84 Ca 0.35 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.36 2kkv h ARG 84 Cb 0.02 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 2kkv h ARG 84 CO -0.10 0.42 -0.45 1.88 -1.51 0.00 0.00 179.97 180.21 2kkv h TYR 85 N 0.54 0.10 -0.11 2.20 0.05 -0.87 0.04 116.97 118.92 2kkv h TYR 85 Ca 0.15 -0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.81 2kkv h TYR 85 Cb 0.01 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 2kkv h TYR 85 CO -0.03 0.52 -0.34 0.00 -1.05 0.00 0.00 178.16 177.26 2kkv h ALA 86 N 1.48 1.24 0.15 3.88 0.00 -0.58 0.47 119.26 125.90 2kkv h ALA 86 Ca 0.00 -0.35 -0.29 0.00 0.00 0.00 0.00 54.91 54.26 2kkv h ALA 86 Cb 0.82 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.55 2kkv h ALA 86 CO 0.06 0.52 -1.29 0.28 0.00 0.00 0.00 179.25 178.83 2kkv h VAL 87 N 0.18 1.37 -0.45 0.00 2.07 -0.69 0.72 116.25 119.46 2kkv h VAL 87 Ca 0.02 -2.75 -0.01 0.00 0.82 0.00 0.00 66.70 64.78 2kkv h VAL 87 Cb 0.69 2.86 -0.02 0.00 -1.52 0.00 0.00 31.29 33.30 2kkv h VAL 87 CO 0.05 0.82 0.23 -0.61 0.02 0.00 0.00 177.57 178.08 2kkv h GLN 88 N 0.16 0.64 -0.00 1.57 -0.00 -0.74 -1.19 115.11 115.55 2kkv h GLN 88 Ca -0.18 -0.09 0.00 0.00 -0.00 0.00 0.00 58.65 58.38 2kkv h GLN 88 Cb 1.98 -0.12 0.00 0.00 0.00 0.00 0.00 27.48 29.34 2kkv h GLN 88 CO 0.23 0.54 -0.08 0.09 0.00 0.00 0.00 178.83 179.61 2kkv n ASN 89 N -4.66 0.17 -3.43 -0.69 5.03 0.13 -4.95 115.26 106.85 2kkv n ASN 89 Ca 0.01 -0.07 -0.18 0.00 0.87 0.00 0.00 54.58 55.22 2kkv n ASN 89 Cb 0.10 -0.24 0.03 0.00 -1.02 0.00 0.00 39.78 38.65 2kkv n ASN 89 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2kkv n ASP 90 N -1.29 -6.26 -0.00 6.41 2.03 -0.39 -4.93 116.55 112.12 2kkv n ASP 90 Ca 0.11 -0.65 0.05 0.00 0.52 0.00 0.00 54.79 54.82 2kkv n ASP 90 Cb 0.29 -3.99 -0.06 0.00 -0.72 0.00 0.00 41.12 36.64 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 -2.98 0.00 -4.56 -0.67 4.01 0.11 -5.01 117.16 108.06 2kkv n TYR 91 Ca -0.10 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.38 2kkv n TYR 91 Cb 0.58 -0.01 -0.11 0.00 -0.31 0.00 0.00 39.34 39.50 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 -2.06 1.78 -0.23 -0.72 -4.36 -1.24 -4.85 121.20 109.53 2kkv s ILE 92 Ca 0.04 -2.02 -0.10 0.00 -0.26 0.00 0.00 60.65 58.32 2kkv s ILE 92 Cb 0.08 -2.90 -0.10 0.00 1.25 0.00 0.00 42.46 40.79 2kkv s ILE 92 CO 0.45 -0.02 -0.28 -0.67 0.24 0.00 0.00 174.94 174.66 2kkv n ASP 93 N -0.87 1.69 -4.99 4.36 2.03 -1.26 -4.88 116.55 112.64 2kkv n ASP 93 Ca -0.04 0.23 -0.19 0.00 0.52 0.00 0.00 54.79 55.30 2kkv n ASP 93 Cb 0.67 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 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 -6.93 5.87 -0.76 1.67 0.01 -1.26 -5.07 113.70 107.23 2kkv s SER 94 Ca -0.31 -0.13 -0.04 0.00 1.31 0.00 0.00 55.95 56.77 2kkv s SER 94 Cb 0.12 -1.18 0.19 0.00 0.21 0.00 0.00 66.02 65.36 2kkv s SER 94 CO 0.41 -0.56 0.62 0.20 0.41 0.00 0.00 173.24 174.32 2kkv s ASN 95 N -4.22 5.72 0.26 2.44 -0.87 -1.26 -4.99 114.94 112.02 2kkv s ASN 95 Ca 0.48 -3.21 0.00 0.00 -1.57 0.00 0.00 52.86 48.56 2kkv s ASN 95 Cb -0.10 -1.92 0.00 0.00 -0.02 0.00 0.00 41.25 39.22 2kkv s ASN 95 CO 0.33 -0.31 0.00 -0.81 -2.57 0.00 0.00 177.10 173.74 2kkv n PRO 96 N 3.05 0.82 -2.86 -0.60 -0.05 -1.26 -4.91 135.00 129.18 2kkv n PRO 96 Ca 0.14 0.00 -0.08 0.00 -0.05 0.00 0.00 63.50 63.51 2kkv n PRO 96 Cb 0.38 0.00 0.01 0.00 -0.05 0.00 0.00 33.50 33.84 2kkv n PRO 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2kkv n ALA 97 N -3.00 -3.07 0.00 0.55 0.00 -1.26 -4.98 120.51 108.75 2kkv n ALA 97 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 53.44 54.40 2kkv n ALA 97 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 16.44 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 -0.03 0.09 -1.54 0.00 2.88 -1.26 -4.63 113.62 109.13 2kkv n SER 98 Ca 0.08 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.52 2kkv n SER 98 Cb 0.37 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.88 2kkv n SER 98 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2kkv n ASP 99 N -2.26 4.02 0.00 -3.46 2.03 -1.26 -3.17 116.55 112.45 2kkv n ASP 99 Ca 0.00 -2.68 0.00 0.00 0.52 0.00 0.00 54.79 52.63 2kkv n ASP 99 Cb 0.04 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.70 2kkv n ASP 99 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 2kkv n MET 100 N 0.07 2.76 -3.51 -0.67 0.00 -1.26 -4.81 117.12 109.70 2kkv n MET 100 Ca 0.23 -1.43 -0.11 0.00 0.00 0.00 0.00 57.70 56.38 2kkv n MET 100 Cb 0.84 -0.99 -0.02 0.00 0.00 0.00 0.00 33.22 33.06 2kkv n MET 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kkv n ALA 101 N -0.47 -0.41 0.00 3.17 0.00 -1.19 -4.75 120.51 116.87 2kkv n ALA 101 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 53.44 52.15 2kkv n ALA 101 Cb 0.25 1.04 0.00 0.00 0.00 0.00 0.00 19.45 20.74 2kkv n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kkv n GLY 102 N -0.47 0.30 0.05 0.00 0.00 -1.26 -4.75 105.19 99.06 2kkv n GLY 102 Ca -0.00 -1.32 -0.03 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.00 1.88 0.00 4.61 0.00 -1.26 -4.98 120.51 119.76 2kkv n ALA 103 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.76 2kkv n ALA 103 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.35 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 -2.33 0.00 -0.00 0.00 -0.00 -1.26 -0.83 117.00 112.58 2kkv n LEU 104 Ca -0.16 0.00 0.15 0.00 -0.00 0.00 0.00 56.01 56.00 2kkv n LEU 104 Cb 0.77 0.00 0.76 0.00 -0.00 0.00 0.00 43.42 44.94 2kkv n LEU 104 CO 0.26 0.00 1.02 -1.20 -0.00 0.00 0.00 177.39 177.47 2kkv n SER 105 N 0.00 0.02 -4.24 1.45 7.64 -1.26 -4.62 113.62 112.61 2kkv n SER 105 Ca 0.00 -0.17 -0.35 0.00 1.01 0.00 0.00 58.87 59.36 2kkv n SER 105 Cb 0.00 -0.27 -0.14 0.00 -1.01 0.00 0.00 64.21 62.79 2kkv n SER 105 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kkv s THR 106 N -2.56 3.17 -0.02 0.44 2.01 -0.01 -5.08 115.64 113.58 2kkv s THR 106 Ca 0.29 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.40 2kkv s THR 106 Cb 0.20 -2.59 0.03 0.00 0.01 0.00 0.00 72.50 70.15 2kkv s THR 106 CO 0.46 0.20 0.01 0.42 -0.69 0.00 0.00 174.62 175.03 2kkv s THR 107 N 1.38 0.06 -0.03 -0.82 -4.23 -1.26 -4.78 115.64 105.96 2kkv s THR 107 Ca 0.01 0.15 -0.03 0.00 -1.18 0.00 0.00 61.69 60.64 2kkv s THR 107 Cb -0.16 -0.18 0.01 0.00 1.34 0.00 0.00 72.50 73.51 2kkv s THR 107 CO -0.03 0.12 0.09 -0.75 -0.54 0.00 0.00 174.62 173.51 2kkv s LYS 108 N 1.03 0.10 0.00 3.99 2.36 -1.26 -5.04 119.74 120.92 2kkv s LYS 108 Ca -0.09 0.13 0.00 0.00 -2.55 0.00 0.00 55.97 53.45 2kkv s LYS 108 Cb -0.13 0.04 0.00 0.00 -1.05 0.00 0.00 37.83 36.69 2kkv s LYS 108 CO -0.02 -0.02 0.00 0.00 1.55 0.00 0.00 175.35 176.86 2kkv n ALA 109 N 3.07 1.00 -1.55 3.13 0.00 -1.26 -5.10 120.51 119.81 2kkv n ALA 109 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.01 2kkv n ALA 109 Cb 0.59 0.04 0.08 0.00 0.00 0.00 0.00 19.45 20.16 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 -1.00 2.32 -0.09 0.00 1.81 -1.26 -4.77 118.95 115.96 2kkv s ARG 110 Ca 0.00 0.74 -0.04 0.00 -1.72 0.00 0.00 55.73 54.71 2kkv s ARG 110 Cb 0.00 -1.94 0.01 0.00 -0.45 0.00 0.00 34.95 32.58 2kkv s ARG 110 CO 0.00 -1.48 0.08 0.72 -0.68 0.00 0.00 175.30 173.94 2kkv n HIS 111 N -3.35 -1.76 -3.92 -0.53 8.25 -1.26 -5.03 115.22 107.62 2kkv n HIS 111 Ca 0.07 0.97 -0.32 0.00 -0.26 0.00 0.00 57.72 58.18 2kkv n HIS 111 Cb 0.55 -2.49 -0.13 0.00 1.12 0.00 0.00 29.99 29.04 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 -0.36 3.43 0.01 4.41 5.04 -1.26 -5.09 117.35 123.52 2kkv s TYR 112 Ca -0.09 -2.99 -0.30 0.00 -2.44 0.00 0.00 57.07 51.25 2kkv s TYR 112 Cb 0.01 -2.95 -0.04 0.00 0.35 0.00 0.00 41.96 39.32 2kkv s TYR 112 CO 0.32 -0.84 1.15 -2.14 -1.34 0.00 0.00 175.55 172.70 2kkv s PRO 113 N 0.23 4.43 0.17 4.97 0.02 -1.26 -4.92 135.00 138.63 2kkv s PRO 113 Ca 0.14 1.66 -0.13 0.00 0.02 0.00 0.00 61.00 62.70 2kkv s PRO 113 Cb -0.23 -3.44 0.06 0.00 0.02 0.00 0.00 34.50 30.91 2kkv s PRO 113 CO -0.03 -0.28 1.72 -0.07 -0.33 0.00 0.00 177.00 178.01 2kkv h LEU 114 N 7.29 0.77 0.93 -5.54 3.38 -2.08 -3.46 115.31 116.60 2kkv h LEU 114 Ca -0.39 -0.16 -0.39 0.00 0.09 0.00 0.00 57.88 57.03 2kkv h LEU 114 Cb 1.20 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2kkv h LEU 114 CO 0.82 0.72 -0.57 1.21 0.09 0.00 0.00 178.44 180.71 2kkv n GLU 115 N -4.51 -4.13 -3.56 1.13 2.13 -1.26 -4.93 120.64 105.51 2kkv n GLU 115 Ca 0.03 0.73 -0.41 0.00 0.66 0.00 0.00 57.16 58.17 2kkv n GLU 115 Cb 0.15 -5.51 -0.10 0.00 0.27 0.00 0.00 31.44 26.25 2kkv n GLU 115 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2kkv s HIS 116 N -3.05 3.32 -0.35 4.31 2.46 -1.26 -5.03 115.29 115.68 2kkv s HIS 116 Ca 0.32 -1.42 0.00 0.00 0.47 0.00 0.00 55.06 54.43 2kkv s HIS 116 Cb -0.16 -3.00 0.09 0.00 -0.13 0.00 0.00 32.58 29.39 2kkv s HIS 116 CO 0.40 -0.84 0.09 -1.58 -2.47 0.00 0.00 174.74 170.34 2kkv s HIS 117 N 1.46 3.57 -0.02 3.88 5.04 -1.26 -5.09 115.29 122.88 2kkv s HIS 117 Ca 0.03 -2.51 -0.22 0.00 -1.54 0.00 0.00 55.06 50.82 2kkv s HIS 117 Cb -0.23 -2.83 -0.05 0.00 0.04 0.00 0.00 32.58 29.51 2kkv s HIS 117 CO 0.03 -0.93 0.65 -1.58 -2.34 0.00 0.00 174.74 170.57 2kkv s HIS 118 N 1.08 3.66 -0.30 3.88 2.46 -1.26 -4.98 115.29 119.82 2kkv s HIS 118 Ca 0.05 1.25 -0.28 0.00 0.47 0.00 0.00 55.06 56.56 2kkv s HIS 118 Cb -0.21 -2.70 -0.04 0.00 -0.13 0.00 0.00 32.58 29.50 2kkv s HIS 118 CO -0.05 0.26 2.13 -1.58 -2.47 0.00 0.00 174.74 173.03 2kkv s HIS 119 N 0.14 1.33 -0.30 3.88 2.46 -1.26 -4.93 115.29 116.61 2kkv s HIS 119 Ca 0.34 0.73 0.03 0.00 0.47 0.00 0.00 55.06 56.62 2kkv s HIS 119 Cb -0.18 -3.93 0.08 0.00 -0.13 0.00 0.00 32.58 28.42 2kkv s HIS 119 CO 0.18 -3.50 -0.00 -1.58 -2.47 0.00 0.00 174.74 167.37 2kkv s HIS 120 N 8.60 3.23 -2.12 3.88 5.04 -1.26 -5.36 115.29 127.29 2kkv s HIS 120 Ca 0.94 -2.52 0.31 0.00 -1.54 0.00 0.00 55.06 52.25 2kkv s HIS 120 Cb -0.27 -2.35 1.71 0.00 0.04 0.00 0.00 32.58 31.71 2kkv s HIS 120 CO 0.33 -0.90 2.12 1.58 -2.34 0.00 0.00 174.74 175.53