#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kkx n ASN 4 N 0.00 -3.59 -0.02 1.20 2.85 -1.26 -4.70 115.26 109.74 1kkx n ASN 4 Ca 0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.44 1kkx n ASN 4 Cb 0.00 -2.39 -0.03 0.00 1.24 0.00 0.00 39.78 38.59 1kkx n ASN 4 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1kkx n LYS 5 N -0.70 2.55 -0.32 1.20 3.00 -1.26 -4.61 118.16 118.03 1kkx n LYS 5 Ca 0.00 0.01 0.35 0.00 -0.00 0.00 0.00 58.31 58.67 1kkx n LYS 5 Cb 0.25 -1.12 0.74 0.00 0.00 0.00 0.00 35.03 34.91 1kkx n LYS 5 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1kkx h GLN 6 N 0.00 0.00 -0.39 1.64 4.20 -2.01 0.37 115.11 118.92 1kkx h GLN 6 Ca -0.12 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1kkx h GLN 6 Cb 1.26 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 1kkx h GLN 6 CO 0.00 0.00 0.22 1.88 -0.67 0.00 0.00 178.83 180.26 1kkx h TYR 7 N 0.00 0.53 -0.30 2.96 -1.99 -1.97 -2.10 116.97 114.09 1kkx h TYR 7 Ca 0.57 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 61.30 1kkx h TYR 7 Cb 2.36 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 40.90 1kkx h TYR 7 CO 0.00 0.40 0.20 0.93 -0.00 0.00 0.00 178.16 179.70 1kkx h GLU 8 N 0.50 0.37 0.14 4.88 3.07 -0.56 0.31 114.58 123.29 1kkx h GLU 8 Ca 0.14 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 1kkx h GLU 8 Cb 0.05 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1kkx h GLU 8 CO -0.02 0.25 -0.07 -0.07 -1.40 0.00 0.00 179.01 177.70 1kkx h LEU 9 N 0.38 -0.16 -1.42 1.33 3.38 -1.25 -1.73 115.31 115.85 1kkx h LEU 9 Ca 0.12 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.18 1kkx h LEU 9 Cb 0.00 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1kkx h LEU 9 CO -0.03 -0.11 0.48 2.19 0.09 0.00 0.00 178.44 181.07 1kkx h PHE 10 N -0.19 0.70 -0.06 1.13 -5.15 -1.42 -2.64 116.94 109.31 1kkx h PHE 10 Ca -0.02 0.02 0.01 0.00 -0.20 0.00 0.00 57.97 57.78 1kkx h PHE 10 Cb 0.14 -0.23 -0.02 0.00 0.22 0.00 0.00 35.95 36.06 1kkx h PHE 10 CO 0.19 0.34 -0.19 1.98 -2.00 0.00 0.00 178.31 178.63 1kkx h MET 11 N 0.67 -0.18 -0.21 6.09 4.05 -0.27 0.51 114.93 125.59 1kkx h MET 11 Ca 0.33 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.83 1kkx h MET 11 Cb 0.41 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.25 1kkx h MET 11 CO -0.12 -0.12 0.30 0.87 0.23 0.00 0.00 176.91 178.07 1kkx h LYS 12 N -0.19 0.00 0.25 0.39 1.79 -1.05 -2.11 116.57 115.65 1kkx h LYS 12 Ca 0.01 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1kkx h LYS 12 Cb 0.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1kkx h LYS 12 CO -0.16 0.00 -0.12 0.77 -1.08 0.00 0.00 179.45 178.86 1kkx h SER 13 N 0.00 -0.29 0.25 0.86 0.02 -0.32 -3.03 113.55 111.05 1kkx h SER 13 Ca 0.10 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1kkx h SER 13 Cb 0.69 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 1kkx h SER 13 CO -0.00 0.21 -0.40 0.25 -1.14 0.00 0.00 176.83 175.75 1kkx h LEU 14 N -1.00 -1.15 -0.44 5.07 7.12 0.51 -2.67 115.31 122.74 1kkx h LEU 14 Ca -0.03 0.11 0.08 0.00 0.13 0.00 0.00 57.88 58.16 1kkx h LEU 14 Cb 0.44 0.40 -0.09 0.00 -0.53 0.00 0.00 40.66 40.88 1kkx h LEU 14 CO 0.06 -0.48 -0.39 0.16 -0.13 0.00 0.00 178.44 177.66 1kkx h ILE 15 N -0.69 0.15 -1.26 4.05 3.07 -1.61 0.98 117.51 122.20 1kkx h ILE 15 Ca -0.03 0.00 0.37 0.00 1.55 0.00 0.00 64.86 66.75 1kkx h ILE 15 Cb 0.64 0.15 -0.05 0.00 -0.27 0.00 0.00 36.82 37.29 1kkx h ILE 15 CO -0.13 0.00 0.96 -0.08 -1.05 0.00 0.00 178.15 177.85 1kkx h GLU 16 N -0.28 0.00 0.05 0.16 4.22 -1.43 0.55 114.58 117.85 1kkx h GLU 16 Ca 0.16 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.49 1kkx h GLU 16 Cb 0.57 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.83 1kkx h GLU 16 CO -0.59 0.00 -0.49 -0.97 -2.18 0.00 0.00 179.01 174.78 1kkx h ASN 17 N 0.00 0.34 -0.61 1.04 -1.24 0.13 -0.33 115.58 114.91 1kkx h ASN 17 Ca 0.60 -0.88 0.01 0.00 0.71 0.00 0.00 56.30 56.74 1kkx h ASN 17 Cb 2.50 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 41.41 1kkx h ASN 17 CO -0.01 1.18 0.40 0.00 -1.29 0.00 0.00 177.43 177.72 1kkx h LYS 19 N 0.82 0.00 0.00 0.00 1.57 -0.77 1.30 116.57 119.50 1kkx h LYS 19 Ca 0.22 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.85 1kkx h LYS 19 Cb -0.10 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1kkx h LYS 19 CO -0.05 0.09 -1.75 0.36 -0.57 0.00 0.00 179.45 177.53 1kkx n LYS 20 N -3.15 0.65 -0.20 3.15 -0.00 -0.14 -3.86 118.16 114.61 1kkx n LYS 20 Ca 0.02 0.05 0.05 0.00 -0.00 0.00 0.00 58.31 58.43 1kkx n LYS 20 Cb 0.48 -1.67 0.14 0.00 -0.00 0.00 0.00 35.03 33.98 1kkx n LYS 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1kkx n ARG 21 N -2.67 1.88 -2.42 -1.58 0.00 0.55 -4.89 116.66 107.53 1kkx n ARG 21 Ca -0.13 -1.15 -0.08 0.00 -0.00 0.00 0.00 57.85 56.50 1kkx n ARG 21 Cb 0.81 -1.35 0.04 0.00 0.00 0.00 0.00 32.46 31.96 1kkx n ARG 21 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1kkx n ASN 22 N 0.38 -3.95 -3.74 6.15 5.15 -1.17 -4.21 115.26 113.87 1kkx n ASN 22 Ca 0.11 -0.35 -0.27 0.00 -0.60 0.00 0.00 54.58 53.47 1kkx n ASN 22 Cb 0.33 -2.84 0.01 0.00 -0.53 0.00 0.00 39.78 36.75 1kkx n ASN 22 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1kkx n MET 23 N -2.39 -1.61 -0.07 1.20 2.81 0.45 -4.75 117.12 112.75 1kkx n MET 23 Ca -0.05 0.88 0.00 0.00 -1.81 0.00 0.00 57.70 56.72 1kkx n MET 23 Cb 0.56 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 30.80 1kkx n MET 23 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1kkx n PRO 24 N -2.19 0.61 0.00 0.03 -0.04 -1.23 -3.02 135.00 129.16 1kkx n PRO 24 Ca -0.28 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.18 1kkx n PRO 24 Cb 0.69 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 1kkx n PRO 24 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1kkx n LEU 25 N 0.94 0.00 0.00 1.53 -0.00 -1.26 -4.29 117.00 113.92 1kkx n LEU 25 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1kkx n LEU 25 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.72 1kkx n LEU 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 1kkx n GLN 26 N -1.24 -0.03 0.00 1.47 6.02 -1.17 -4.83 117.38 117.61 1kkx n GLN 26 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1kkx n GLN 26 Cb 0.00 -2.93 0.00 0.00 1.02 0.00 0.00 30.24 28.33 1kkx n GLN 26 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1kkx n SER 27 N -0.02 0.00 -4.66 1.08 7.64 -1.26 -5.13 113.62 111.28 1kkx n SER 27 Ca 0.00 0.00 -0.52 0.00 1.01 0.00 0.00 58.87 59.36 1kkx n SER 27 Cb 0.01 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.15 1kkx n SER 27 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1kkx n ILE 28 N 0.00 0.20 0.16 0.44 -0.00 -1.26 -4.84 119.36 114.06 1kkx n ILE 28 Ca 0.00 -0.04 0.04 0.00 -0.00 0.00 0.00 62.75 62.75 1kkx n ILE 28 Cb 0.00 -1.27 0.19 0.00 -0.00 0.00 0.00 39.64 38.56 1kkx n ILE 28 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 1kkx n PRO 29 N 4.33 2.78 -0.93 0.38 -0.04 -1.26 -4.96 135.00 135.31 1kkx n PRO 29 Ca 0.21 -1.48 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 1kkx n PRO 29 Cb 0.21 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 1kkx n PRO 29 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1kkx n GLU 30 N 0.32 0.00 -2.81 0.54 1.02 -1.26 -4.74 120.64 113.71 1kkx n GLU 30 Ca 0.13 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.84 1kkx n GLU 30 Cb 0.67 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.07 1kkx n GLU 30 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1kkx s ILE 31 N -0.17 4.48 0.00 -3.67 1.09 -1.26 -3.69 121.20 117.99 1kkx s ILE 31 Ca 0.00 -1.39 0.00 0.00 -1.10 0.00 0.00 60.65 58.16 1kkx s ILE 31 Cb 0.00 -4.88 0.00 0.00 -1.06 0.00 0.00 42.46 36.52 1kkx s ILE 31 CO 0.00 -1.66 0.00 0.61 -0.10 0.00 0.00 174.94 173.79 1kkx n GLY 32 N 5.85 0.19 1.90 6.18 0.00 -1.26 -4.15 105.19 113.90 1kkx n GLY 32 Ca 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.28 1kkx n GLY 32 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kkx n ASN 33 N 0.00 -3.65 0.00 1.61 5.15 -1.24 -4.95 115.26 112.18 1kkx n ASN 33 Ca 0.00 0.09 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 1kkx n ASN 33 Cb 0.00 -2.22 0.00 0.00 -0.53 0.00 0.00 39.78 37.03 1kkx n ASN 33 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 1kkx n ARG 34 N -0.71 0.00 0.00 1.20 -4.01 -1.26 -5.10 116.66 106.77 1kkx n ARG 34 Ca 0.02 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.83 1kkx n ARG 34 Cb 0.26 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.68 1kkx n ARG 34 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 1kkx n LYS 35 N 0.00 0.00 -3.47 2.89 5.02 -1.26 -5.06 118.16 116.28 1kkx n LYS 35 Ca 0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 1kkx n LYS 35 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.05 1kkx n LYS 35 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1kkx n ILE 36 N 0.00 -4.21 -0.11 -0.18 5.41 -1.26 -4.88 119.36 114.12 1kkx n ILE 36 Ca 0.00 0.14 0.11 0.00 1.00 0.00 0.00 62.75 64.00 1kkx n ILE 36 Cb 0.00 -3.71 0.27 0.00 -0.71 0.00 0.00 39.64 35.49 1kkx n ILE 36 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1kkx n ASN 37 N -0.14 3.69 0.03 4.38 5.15 -1.26 -4.51 115.26 122.60 1kkx n ASN 37 Ca -0.07 -1.99 0.22 0.00 -0.60 0.00 0.00 54.58 52.14 1kkx n ASN 37 Cb 0.67 -0.38 0.66 0.00 -0.53 0.00 0.00 39.78 40.20 1kkx n ASN 37 CO 0.00 0.00 0.00 0.17 1.40 0.00 0.00 177.26 178.83 1kkx h LEU 38 N 4.17 0.00 0.12 1.20 -0.00 -1.90 0.23 115.31 119.14 1kkx h LEU 38 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.59 1kkx h LEU 38 Cb 0.97 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.64 1kkx h LEU 38 CO 0.00 0.00 -1.27 0.15 -0.00 0.00 0.00 178.44 177.32 1kkx h PHE 39 N 0.00 0.66 0.00 0.17 3.57 -1.93 -2.90 116.94 116.51 1kkx h PHE 39 Ca 0.26 -0.46 0.00 0.00 3.53 0.00 0.00 57.97 61.30 1kkx h PHE 39 Cb 1.57 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.28 1kkx h PHE 39 CO 0.00 1.35 0.00 0.98 -2.23 0.00 0.00 178.31 178.41 1kkx n TYR 40 N -3.62 0.00 0.01 0.41 4.19 0.81 0.24 117.16 119.20 1kkx n TYR 40 Ca -0.11 0.00 0.23 0.00 3.31 0.00 0.00 57.90 61.33 1kkx n TYR 40 Cb 1.02 -0.50 0.68 0.00 0.49 0.00 0.00 39.34 41.03 1kkx n TYR 40 CO 0.00 0.00 0.00 1.37 0.91 0.00 0.00 176.86 179.14 1kkx h LEU 41 N 0.00 0.00 -0.01 2.98 -0.00 -1.71 1.01 115.31 117.58 1kkx h LEU 41 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1kkx h LEU 41 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1kkx h LEU 41 CO 0.00 0.00 -0.00 0.22 -0.00 0.00 0.00 178.44 178.66 1kkx h TYR 42 N 0.00 0.02 -1.55 0.17 3.20 -1.17 -2.16 116.97 115.48 1kkx h TYR 42 Ca 0.28 -0.00 0.45 0.00 3.14 0.00 0.00 58.73 62.59 1kkx h TYR 42 Cb 1.55 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.75 1kkx h TYR 42 CO 0.00 0.41 1.23 0.52 -1.64 0.00 0.00 178.16 178.67 1kkx h MET 43 N -0.38 0.00 0.13 1.82 2.86 0.55 1.79 114.93 121.71 1kkx h MET 43 Ca 0.00 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.36 1kkx h MET 43 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1kkx h MET 43 CO 0.00 0.00 -1.34 -0.07 1.06 0.00 0.00 176.91 176.56 1kkx h LEU 44 N 0.00 0.43 -2.15 1.22 3.38 -1.24 -3.22 115.31 113.73 1kkx h LEU 44 Ca 0.73 -0.50 0.05 0.00 0.09 0.00 0.00 57.88 58.25 1kkx h LEU 44 Cb 3.18 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 43.78 1kkx h LEU 44 CO -0.01 1.40 0.29 1.62 0.09 0.00 0.00 178.44 181.83 1kkx h VAL 45 N 0.08 0.23 -1.91 1.22 3.04 0.32 -1.26 116.25 117.97 1kkx h VAL 45 Ca -0.17 0.00 0.55 0.00 -1.01 0.00 0.00 66.70 66.07 1kkx h VAL 45 Cb 2.00 0.74 -0.08 0.00 -2.01 0.00 0.00 31.29 31.94 1kkx h VAL 45 CO 0.20 0.00 1.41 1.67 -1.01 0.00 0.00 177.57 179.84 1kkx n GLN 46 N -3.38 0.00 -0.42 4.17 -0.06 -1.08 0.29 117.38 116.89 1kkx n GLN 46 Ca 0.01 1.07 0.37 0.00 -2.00 0.00 0.00 57.00 56.46 1kkx n GLN 46 Cb 0.40 -2.50 0.63 0.00 -4.06 0.00 0.00 30.24 24.71 1kkx n GLN 46 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1kkx n LYS 47 N -3.86 -0.04 -0.03 3.69 3.00 -0.48 -1.67 118.16 118.78 1kkx n LYS 47 Ca 0.43 1.22 -0.03 0.00 -0.00 0.00 0.00 58.31 59.93 1kkx n LYS 47 Cb 1.98 -2.37 -0.03 0.00 0.00 0.00 0.00 35.03 34.62 1kkx n LYS 47 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1kkx n PHE 48 N -4.74 0.00 0.00 5.64 7.35 0.15 -5.01 117.46 120.85 1kkx n PHE 48 Ca 0.38 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.07 1kkx n PHE 48 Cb 1.45 -0.22 0.00 0.00 0.35 0.00 0.00 39.48 41.05 1kkx n PHE 48 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1kkx n GLY 49 N 3.07 2.38 3.23 7.13 0.00 -0.67 -4.93 105.19 115.40 1kkx n GLY 49 Ca -0.09 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 1kkx n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kkx s GLY 50 N -0.95 1.89 0.36 -0.02 0.00 -1.26 -4.58 107.32 102.76 1kkx s GLY 50 Ca 0.00 -1.99 0.18 0.00 0.00 0.00 0.00 44.72 42.91 1kkx s GLY 50 CO 0.00 0.86 1.65 0.00 0.00 0.00 0.00 173.10 175.60 1kkx h ALA 51 N 8.20 2.11 -1.15 3.20 0.00 -1.91 -0.27 119.26 129.44 1kkx h ALA 51 Ca -0.21 0.19 0.39 0.00 0.00 0.00 0.00 54.91 55.28 1kkx h ALA 51 Cb 1.07 0.19 -0.14 0.00 0.00 0.00 0.00 17.79 18.91 1kkx h ALA 51 CO 0.65 -0.75 0.70 0.38 0.00 0.00 0.00 179.25 180.24 1kkx h ASP 52 N 0.24 0.34 0.00 0.00 3.04 -1.99 0.28 116.42 118.33 1kkx h ASP 52 Ca 0.76 0.17 -0.15 0.00 -3.24 0.00 0.00 57.03 54.57 1kkx h ASP 52 Cb 1.89 0.15 -0.02 0.00 -1.04 0.00 0.00 39.33 40.31 1kkx h ASP 52 CO -0.60 -0.21 -1.21 1.67 -2.04 0.00 0.00 179.24 176.85 1kkx n GLN 53 N -4.90 0.53 0.25 4.15 -0.06 -0.13 -3.76 117.38 113.45 1kkx n GLN 53 Ca 0.35 0.41 0.15 0.00 -2.00 0.00 0.00 57.00 55.92 1kkx n GLN 53 Cb 1.25 -1.61 0.66 0.00 -4.06 0.00 0.00 30.24 26.49 1kkx n GLN 53 CO 0.00 0.00 0.00 -0.24 -0.20 0.00 0.00 177.06 176.62 1kkx h VAL 54 N -1.00 0.09 0.08 1.69 3.04 -1.30 0.39 116.25 119.23 1kkx h VAL 54 Ca -0.23 0.00 -0.23 0.00 -1.01 0.00 0.00 66.70 65.23 1kkx h VAL 54 Cb 1.04 0.52 -0.01 0.00 -2.01 0.00 0.00 31.29 30.83 1kkx h VAL 54 CO -0.14 0.00 -1.21 0.71 -1.01 0.00 0.00 177.57 175.92 1kkx h THR 55 N 0.00 1.09 -0.56 3.17 1.35 -0.64 -2.22 112.91 115.10 1kkx h THR 55 Ca 0.07 -2.34 -0.37 0.00 -0.55 0.00 0.00 66.41 63.22 1kkx h THR 55 Cb 1.09 2.69 -0.16 0.00 -1.73 0.00 0.00 68.15 70.04 1kkx h THR 55 CO -0.00 0.61 0.48 -2.11 -0.25 0.00 0.00 175.52 174.25 1kkx n ARG 56 N -4.11 1.91 -0.41 4.72 1.85 0.05 -4.82 116.66 115.85 1kkx n ARG 56 Ca -0.25 -1.82 0.00 0.00 -1.00 0.00 0.00 57.85 54.78 1kkx n ARG 56 Cb 0.80 -1.71 0.00 0.00 -1.05 0.00 0.00 32.46 30.50 1kkx n ARG 56 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 1kkx n THR 57 N 0.07 0.00 0.01 8.89 5.66 -0.76 -4.97 114.28 123.18 1kkx n THR 57 Ca 0.35 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 61.24 1kkx n THR 57 Cb 0.67 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.31 1kkx n THR 57 CO 0.00 0.00 0.00 0.06 -3.05 0.00 0.00 175.07 172.08 1kkx h GLN 58 N 0.00 0.07 -1.03 1.09 3.07 -1.87 -3.35 115.11 113.09 1kkx h GLN 58 Ca 0.00 -0.11 0.30 0.00 0.09 0.00 0.00 58.65 58.92 1kkx h GLN 58 Cb 0.00 0.04 -0.04 0.00 0.08 0.00 0.00 27.48 27.56 1kkx h GLN 58 CO 0.00 0.75 0.93 1.96 0.09 0.00 0.00 178.83 182.56 1kkx h GLN 59 N 0.02 0.00 -0.54 0.06 4.20 -1.91 0.90 115.11 117.84 1kkx h GLN 59 Ca -0.24 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.36 1kkx h GLN 59 Cb 1.97 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.73 1kkx h GLN 59 CO 0.10 0.00 -0.07 -1.49 -0.67 0.00 0.00 178.83 176.71 1kkx h TRP 60 N 0.00 1.08 -0.53 2.96 -0.00 -1.53 -1.81 115.95 116.12 1kkx h TRP 60 Ca 0.49 -0.20 0.15 0.00 -0.00 0.00 0.00 58.89 59.33 1kkx h TRP 60 Cb 2.34 -0.28 -0.02 0.00 -0.00 0.00 0.00 29.16 31.20 1kkx h TRP 60 CO 0.00 0.99 0.54 1.03 -0.00 0.00 0.00 178.44 181.00 1kkx h SER 61 N 0.89 0.00 0.01 -3.49 0.87 0.61 0.20 113.55 112.64 1kkx h SER 61 Ca 0.15 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1kkx h SER 61 Cb 0.61 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1kkx h SER 61 CO 0.04 0.00 -0.01 0.24 -0.53 0.00 0.00 176.83 176.57 1kkx h MET 62 N 0.00 -0.02 0.00 2.24 2.86 -1.37 -2.55 114.93 116.09 1kkx h MET 62 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1kkx h MET 62 Cb 1.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.99 1kkx h MET 62 CO -0.00 0.78 0.00 0.28 1.06 0.00 0.00 176.91 179.03 1kkx n VAL 63 N -4.69 0.00 -0.32 -2.22 0.31 0.21 -0.59 118.33 111.03 1kkx n VAL 63 Ca -0.09 1.29 0.19 0.00 -0.01 0.00 0.00 64.34 65.72 1kkx n VAL 63 Cb 0.39 -2.27 0.37 0.00 -0.91 0.00 0.00 33.84 31.42 1kkx n VAL 63 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1kkx n ALA 64 N -1.45 0.65 0.12 3.52 0.00 0.44 0.12 120.51 123.91 1kkx n ALA 64 Ca 0.00 1.01 -0.02 0.00 0.00 0.00 0.00 53.44 54.42 1kkx n ALA 64 Cb 0.00 -0.82 0.13 0.00 0.00 0.00 0.00 19.45 18.76 1kkx n ALA 64 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1kkx h GLN 65 N 0.00 0.00 -0.10 0.00 1.08 -1.42 0.34 115.11 115.00 1kkx h GLN 65 Ca 0.65 -0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.89 1kkx h GLN 65 Cb 1.50 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.89 1kkx h GLN 65 CO -0.84 0.68 -0.14 -0.09 -0.95 0.00 0.00 178.83 177.48 1kkx h ARG 66 N 0.00 -0.17 -0.21 1.46 9.65 0.34 -1.06 114.38 124.39 1kkx h ARG 66 Ca -0.01 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1kkx h ARG 66 Cb 1.19 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 1kkx h ARG 66 CO 0.09 -0.12 0.00 1.47 2.80 0.00 0.00 179.97 184.21 1kkx n LEU 67 N -5.28 1.39 -3.26 3.80 -0.00 -1.10 -4.92 117.00 107.63 1kkx n LEU 67 Ca -0.03 -0.65 -0.16 0.00 -0.00 0.00 0.00 56.01 55.17 1kkx n LEU 67 Cb 0.20 -0.14 0.08 0.00 -0.00 0.00 0.00 43.42 43.56 1kkx n LEU 67 CO 0.23 0.32 0.09 0.00 -0.00 0.00 0.00 177.39 178.03 1kkx n GLN 68 N 0.20 -5.31 -0.03 1.47 6.02 -0.40 -4.75 117.38 114.58 1kkx n GLN 68 Ca 0.12 0.81 -0.03 0.00 -0.01 0.00 0.00 57.00 57.88 1kkx n GLN 68 Cb 0.25 -5.66 -0.04 0.00 1.02 0.00 0.00 30.24 25.81 1kkx n GLN 68 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 1kkx n ILE 69 N -3.77 0.40 -3.40 5.09 0.13 0.11 -5.01 119.36 112.92 1kkx n ILE 69 Ca -0.23 -0.21 -0.22 0.00 -1.10 0.00 0.00 62.75 60.99 1kkx n ILE 69 Cb 0.65 -0.82 -0.02 0.00 -0.84 0.00 0.00 39.64 38.61 1kkx n ILE 69 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 1kkx n SER 70 N -2.37 -2.93 -3.17 9.51 3.41 -0.93 -4.86 113.62 112.27 1kkx n SER 70 Ca -0.10 -0.37 -0.25 0.00 -0.26 0.00 0.00 58.87 57.88 1kkx n SER 70 Cb 0.67 -2.47 -0.06 0.00 -0.26 0.00 0.00 64.21 62.09 1kkx n SER 70 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1kkx n ASP 71 N -2.17 3.15 -0.48 4.04 -0.08 -1.26 -4.94 116.55 114.81 1kkx n ASP 71 Ca 0.01 -3.38 0.38 0.00 -1.51 0.00 0.00 54.79 50.29 1kkx n ASP 71 Cb 0.52 -0.62 0.61 0.00 2.34 0.00 0.00 41.12 43.98 1kkx n ASP 71 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1kkx n TYR 72 N 0.42 0.34 -0.09 -0.67 4.11 -1.26 0.32 117.16 120.32 1kkx n TYR 72 Ca 0.28 0.34 -0.10 0.00 -0.00 0.00 0.00 57.90 58.43 1kkx n TYR 72 Cb 0.45 -0.76 0.05 0.00 -0.00 0.00 0.00 39.34 39.09 1kkx n TYR 72 CO 0.00 0.00 0.00 -0.56 -0.00 0.00 0.00 176.86 176.30 1kkx h GLN 73 N 0.00 0.82 -0.07 -3.48 -0.00 -1.92 -2.26 115.11 108.20 1kkx h GLN 73 Ca 0.75 -0.37 -0.08 0.00 -0.00 0.00 0.00 58.65 58.95 1kkx h GLN 73 Cb 2.69 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 30.15 1kkx h GLN 73 CO -0.23 1.00 -0.35 0.37 -0.00 0.00 0.00 178.83 179.62 1kkx h GLN 74 N 0.69 0.13 0.00 0.06 4.15 0.46 -2.55 115.11 118.06 1kkx h GLN 74 Ca 0.08 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1kkx h GLN 74 Cb 0.84 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.52 1kkx h GLN 74 CO 0.07 0.47 0.00 1.28 -1.93 0.00 0.00 178.83 178.72 1kkx n LEU 75 N -4.10 0.00 0.15 -2.39 7.99 -0.68 0.04 117.00 118.01 1kkx n LEU 75 Ca -0.01 1.00 0.10 0.00 -0.01 0.00 0.00 56.01 57.08 1kkx n LEU 75 Cb 0.41 -0.50 0.53 0.00 -0.11 0.00 0.00 43.42 43.75 1kkx n LEU 75 CO 0.40 -0.50 0.80 1.21 -1.51 0.00 0.00 177.39 177.79 1kkx n GLU 76 N -2.35 0.12 0.08 3.23 2.13 -1.15 0.25 120.64 122.96 1kkx n GLU 76 Ca 0.00 0.62 -0.02 0.00 0.66 0.00 0.00 57.16 58.42 1kkx n GLU 76 Cb 0.00 -1.93 0.23 0.00 0.27 0.00 0.00 31.44 30.01 1kkx n GLU 76 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1kkx h SER 77 N 0.00 0.30 0.28 4.31 0.87 -0.33 1.44 113.55 120.42 1kkx h SER 77 Ca 0.00 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 1kkx h SER 77 Cb 0.03 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1kkx h SER 77 CO 0.00 0.65 -0.14 0.16 -0.53 0.00 0.00 176.83 176.97 1kkx h ILE 78 N 0.25 0.45 0.53 2.23 3.07 0.74 0.81 117.51 125.59 1kkx h ILE 78 Ca 0.03 -0.85 -0.03 0.00 1.55 0.00 0.00 64.86 65.56 1kkx h ILE 78 Cb 0.76 0.75 0.01 0.00 -0.27 0.00 0.00 36.82 38.07 1kkx h ILE 78 CO 0.06 0.11 -0.25 0.22 -1.05 0.00 0.00 178.15 177.24 1kkx h TYR 79 N -0.98 -0.66 0.10 0.16 5.03 -0.87 -2.65 116.97 117.10 1kkx h TYR 79 Ca -0.04 -0.02 -0.14 0.00 2.58 0.00 0.00 58.73 61.12 1kkx h TYR 79 Cb 0.48 0.22 0.01 0.00 1.55 0.00 0.00 36.73 38.99 1kkx h TYR 79 CO 0.04 -0.40 -0.61 0.35 -1.32 0.00 0.00 178.16 176.23 1kkx h PHE 80 N -1.18 0.39 0.00 -3.82 3.04 0.17 1.52 116.94 117.06 1kkx h PHE 80 Ca -0.07 -0.28 -0.20 0.00 3.98 0.00 0.00 57.97 61.40 1kkx h PHE 80 Cb 0.56 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 39.02 1kkx h PHE 80 CO 0.00 1.23 -0.94 0.00 -2.02 0.00 0.00 178.31 176.58 1kkx h ARG 81 N -0.55 0.00 0.03 1.11 -0.00 0.65 -3.06 114.38 112.56 1kkx h ARG 81 Ca -0.11 0.00 -0.36 0.00 -0.50 0.00 0.00 59.98 59.01 1kkx h ARG 81 Cb 1.47 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 31.38 1kkx h ARG 81 CO 0.10 0.94 -2.20 -0.89 0.00 0.00 0.00 179.97 177.93 1kkx n ILE 82 N -3.38 1.55 -2.72 2.04 5.41 0.27 -4.07 119.36 118.46 1kkx n ILE 82 Ca 0.00 -0.71 -0.07 0.00 1.00 0.00 0.00 62.75 62.96 1kkx n ILE 82 Cb 0.90 -1.15 0.07 0.00 -0.71 0.00 0.00 39.64 38.76 1kkx n ILE 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1kkx n LEU 83 N -3.12 -2.35 0.00 1.39 0.00 -1.02 -4.37 117.00 107.53 1kkx n LEU 83 Ca -0.34 -3.03 0.00 0.00 0.00 0.00 0.00 56.01 52.65 1kkx n LEU 83 Cb 1.06 0.83 0.00 0.00 0.00 0.00 0.00 43.42 45.31 1kkx n LEU 83 CO 0.38 1.91 0.40 -0.11 0.00 0.00 0.00 177.39 179.98 1kkx n LEU 84 N 1.20 0.00 -0.06 -1.96 7.94 0.52 -3.57 117.00 121.06 1kkx n LEU 84 Ca 0.06 0.81 -0.02 0.00 -1.11 0.00 0.00 56.01 55.75 1kkx n LEU 84 Cb 0.67 -0.31 -0.02 0.00 0.53 0.00 0.00 43.42 44.30 1kkx n LEU 84 CO -0.00 -0.31 0.46 -0.81 -1.11 0.00 0.00 177.39 175.62 1kkx n PRO 85 N -1.64 -0.07 -0.29 1.96 -0.04 -1.26 -2.82 135.00 130.84 1kkx n PRO 85 Ca 0.00 1.01 -0.12 0.00 -0.04 0.00 0.00 63.50 64.35 1kkx n PRO 85 Cb 0.00 -1.51 -0.09 0.00 -0.04 0.00 0.00 33.50 31.86 1kkx n PRO 85 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1kkx h TYR 86 N 0.00 -1.77 -0.98 0.54 0.05 -1.95 0.19 116.97 113.05 1kkx h TYR 86 Ca 0.02 0.11 0.24 0.00 0.05 0.00 0.00 58.73 59.15 1kkx h TYR 86 Cb 0.06 0.87 -0.13 0.00 1.01 0.00 0.00 36.73 38.55 1kkx h TYR 86 CO -0.89 -0.43 0.55 0.93 -1.05 0.00 0.00 178.16 177.27 1kkx h GLU 87 N -0.18 0.51 -0.34 4.88 5.08 -1.59 0.99 114.58 123.94 1kkx h GLU 87 Ca 0.13 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1kkx h GLU 87 Cb 0.50 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1kkx h GLU 87 CO -0.78 0.34 0.00 -2.13 -1.00 0.00 0.00 179.01 175.43 1kkx n ARG 88 N -4.93 1.73 -0.08 2.33 0.63 0.52 -4.08 116.66 112.79 1kkx n ARG 88 Ca 0.26 -1.03 -0.22 0.00 -0.92 0.00 0.00 57.85 55.95 1kkx n ARG 88 Cb 0.74 -1.28 -0.12 0.00 0.45 0.00 0.00 32.46 32.25 1kkx n ARG 88 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 1kkx n HIS 89 N 0.31 1.05 0.90 -0.14 -0.00 0.34 -4.26 115.22 113.43 1kkx n HIS 89 Ca 0.09 0.39 0.04 0.00 0.46 0.00 0.00 57.72 58.71 1kkx n HIS 89 Cb 0.27 -1.11 0.14 0.00 -0.12 0.00 0.00 29.99 29.17 1kkx n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1kkx n MET 90 N -4.21 1.85 -0.02 1.57 0.00 -1.22 -3.59 117.12 111.51 1kkx n MET 90 Ca -0.33 -1.11 -0.01 0.00 0.00 0.00 0.00 57.70 56.25 1kkx n MET 90 Cb 0.77 -1.34 -0.00 0.00 0.00 0.00 0.00 33.22 32.65 1kkx n MET 90 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 1kkx n ILE 91 N 0.35 0.43 0.30 3.17 5.41 -1.26 -2.78 119.36 124.99 1kkx n ILE 91 Ca 0.10 0.41 0.16 0.00 1.00 0.00 0.00 62.75 64.42 1kkx n ILE 91 Cb 0.32 -1.77 0.72 0.00 -0.71 0.00 0.00 39.64 38.19 1kkx n ILE 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1kkx h SER 92 N -0.31 0.00 -1.86 4.38 0.02 -1.77 -3.31 113.55 110.70 1kkx h SER 92 Ca 0.00 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.48 1kkx h SER 92 Cb 0.15 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 62.38 1kkx h SER 92 CO 0.00 0.00 -0.86 0.00 -1.14 0.00 0.00 176.83 174.83 1kkx n GLN 93 N -2.66 0.38 -1.61 3.45 1.13 -1.24 -5.13 117.38 111.70 1kkx n GLN 93 Ca -0.00 -2.84 -0.42 0.00 -1.94 0.00 0.00 57.00 51.79 1kkx n GLN 93 Cb 0.18 -1.54 0.00 0.00 0.11 0.00 0.00 30.24 28.99 1kkx n GLN 93 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1kkx n GLU 94 N 2.57 1.40 0.00 -1.09 4.71 -1.12 -4.30 120.64 122.81 1kkx n GLU 94 Ca 0.25 0.50 0.00 0.00 -0.01 0.00 0.00 57.16 57.89 1kkx n GLU 94 Cb 0.51 -1.99 0.00 0.00 -1.01 0.00 0.00 31.44 28.96 1kkx n GLU 94 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1kkx n GLY 95 N 1.18 -1.37 0.51 0.62 0.00 -1.26 -4.96 105.19 99.91 1kkx n GLY 95 Ca 0.09 0.67 0.04 0.00 0.00 0.00 0.00 46.02 46.82 1kkx n GLY 95 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1kkx n ILE 96 N 0.00 0.39 -1.97 -0.61 5.41 -1.26 -3.78 119.36 117.54 1kkx n ILE 96 Ca 0.00 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.40 1kkx n ILE 96 Cb 0.00 0.12 0.00 0.00 -0.71 0.00 0.00 39.64 39.05 1kkx n ILE 96 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1kkx n LYS 97 N 0.24 0.00 -2.84 0.38 5.02 -1.26 -5.01 118.16 114.70 1kkx n LYS 97 Ca 0.09 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.28 1kkx n LYS 97 Cb 0.24 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.27 1kkx n LYS 97 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1kkx n GLU 98 N 0.00 0.64 0.30 1.97 1.02 -1.25 -5.03 120.64 118.29 1kkx n GLU 98 Ca 0.00 -2.07 -0.14 0.00 -0.02 0.00 0.00 57.16 54.93 1kkx n GLU 98 Cb 0.49 -1.46 -0.07 0.00 -0.02 0.00 0.00 31.44 30.38 1kkx n GLU 98 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1kkx h THR 99 N 3.78 0.00 -0.78 2.62 1.35 -1.93 -3.34 112.91 114.62 1kkx h THR 99 Ca -0.02 0.00 -0.48 0.00 -0.55 0.00 0.00 66.41 65.36 1kkx h THR 99 Cb 1.04 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 67.39 1kkx h THR 99 CO 0.22 0.00 1.39 0.00 -0.25 0.00 0.00 175.52 176.88 1kkx s GLN 100 N -5.07 3.16 0.96 4.72 -2.07 -1.26 -4.96 119.66 115.13 1kkx s GLN 100 Ca -0.13 -1.17 -0.12 0.00 -1.82 0.00 0.00 55.36 52.11 1kkx s GLN 100 Cb 0.02 -5.31 0.16 0.00 -1.09 0.00 0.00 33.01 26.80 1kkx s GLN 100 CO 0.43 -2.98 1.09 0.00 -1.32 0.00 0.00 175.29 172.51 1kkx s ALA 101 N 7.62 1.18 -0.20 2.60 0.00 -1.25 -5.08 121.76 126.63 1kkx s ALA 101 Ca 0.60 -0.21 -0.14 0.00 0.00 0.00 0.00 51.96 52.21 1kkx s ALA 101 Cb -0.01 -3.16 0.06 0.00 0.00 0.00 0.00 23.12 20.01 1kkx s ALA 101 CO 0.03 -2.65 0.51 0.15 0.00 0.00 0.00 175.76 173.80 1kkx s LYS 102 N -4.93 0.54 0.36 0.00 1.02 -1.26 -5.15 119.74 110.32 1kkx s LYS 102 Ca 0.65 0.85 -0.27 0.00 0.02 0.00 0.00 55.97 57.21 1kkx s LYS 102 Cb -0.19 0.14 -0.09 0.00 -0.52 0.00 0.00 37.83 37.17 1kkx s LYS 102 CO 0.57 -0.12 1.20 1.03 -0.92 0.00 0.00 175.35 177.12 1kkx s ARG 103 N 0.98 4.25 0.00 1.68 0.52 -1.26 -5.29 118.95 119.84 1kkx s ARG 103 Ca -0.06 1.96 0.00 0.00 -0.52 0.00 0.00 55.73 57.11 1kkx s ARG 103 Cb -0.06 -2.90 0.00 0.00 0.52 0.00 0.00 34.95 32.52 1kkx s ARG 103 CO -0.09 -0.18 0.00 -0.89 0.02 0.00 0.00 175.30 174.16