#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kl2 s GLU 37 N 0.00 3.23 -0.09 3.23 0.41 -1.26 -4.72 118.70 119.49 3kl2 s GLU 37 Ca 0.00 -0.72 -0.02 0.00 -0.41 0.00 0.00 54.97 53.82 3kl2 s GLU 37 Cb 0.00 -2.76 -0.03 0.00 -1.78 0.00 0.00 34.13 29.55 3kl2 s GLU 37 CO 0.00 -0.12 -0.01 -0.51 -0.49 0.00 0.00 175.26 174.14 3kl2 s LEU 38 N 1.18 3.52 -0.24 1.80 1.43 -1.26 -5.09 118.68 120.01 3kl2 s LEU 38 Ca 0.02 0.10 -0.07 0.00 -1.03 0.00 0.00 54.13 53.15 3kl2 s LEU 38 Cb -0.14 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 3kl2 s LEU 38 CO -0.05 0.35 0.06 -0.62 0.23 0.00 0.00 176.35 176.32 3kl2 s ASP 39 N -0.70 5.04 0.32 2.29 3.68 -1.26 -4.98 116.67 121.06 3kl2 s ASP 39 Ca 0.11 -0.22 0.01 0.00 2.13 0.00 0.00 52.55 54.57 3kl2 s ASP 39 Cb -0.12 -1.90 0.54 0.00 -1.45 0.00 0.00 42.92 39.99 3kl2 s ASP 39 CO 0.02 -0.03 1.96 -0.65 0.13 0.00 0.00 175.17 176.61 3kl2 h PRO 40 N 8.19 0.97 0.00 4.34 0.11 -1.94 -2.21 132.00 141.46 3kl2 h PRO 40 Ca -0.39 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kl2 h PRO 40 Cb 1.17 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3kl2 h PRO 40 CO 0.58 0.64 0.00 0.00 -0.21 0.00 0.00 178.00 179.01 3kl2 n ALA 41 N -2.42 2.38 -2.14 -0.75 0.00 -1.26 -3.60 120.51 112.72 3kl2 n ALA 41 Ca 0.10 -0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.41 3kl2 n ALA 41 Cb 0.09 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.13 3kl2 n ALA 41 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3kl2 n ARG 42 N -1.13 0.02 -4.44 0.00 1.85 -0.88 -4.68 116.66 107.40 3kl2 n ARG 42 Ca 0.16 -1.34 -0.26 0.00 -1.00 0.00 0.00 57.85 55.42 3kl2 n ARG 42 Cb 0.14 -0.36 -0.11 0.00 -1.05 0.00 0.00 32.46 31.08 3kl2 n ARG 42 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3kl2 s THR 43 N -0.04 2.37 -0.06 8.89 2.01 -0.92 -0.66 115.64 127.23 3kl2 s THR 43 Ca 0.11 -2.15 -0.11 0.00 0.31 0.00 0.00 61.69 59.84 3kl2 s THR 43 Cb 0.13 -2.17 0.02 0.00 0.01 0.00 0.00 72.50 70.49 3kl2 s THR 43 CO -0.05 -0.22 0.28 0.00 -0.69 0.00 0.00 174.62 173.94 3kl2 s ALA 44 N -1.96 -0.70 -0.27 7.40 0.00 -0.48 -4.14 121.76 121.62 3kl2 s ALA 44 Ca 0.24 0.52 -0.15 0.00 0.00 0.00 0.00 51.96 52.57 3kl2 s ALA 44 Cb -0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 3kl2 s ALA 44 CO 0.11 -0.19 0.37 0.42 0.00 0.00 0.00 175.76 176.48 3kl2 s ILE 45 N -0.58 5.18 -0.36 0.00 -1.09 -0.58 -0.26 121.20 123.50 3kl2 s ILE 45 Ca -0.07 0.58 -0.07 0.00 -2.23 0.00 0.00 60.65 58.86 3kl2 s ILE 45 Cb -0.04 -3.70 0.05 0.00 -1.58 0.00 0.00 42.46 37.19 3kl2 s ILE 45 CO 0.02 0.16 0.15 -0.69 -1.23 0.00 0.00 174.94 173.35 3kl2 s VAL 46 N 2.03 3.96 -0.37 2.92 1.01 0.09 0.94 120.40 130.97 3kl2 s VAL 46 Ca 0.15 -1.18 -0.16 0.00 0.00 0.00 0.00 61.98 60.79 3kl2 s VAL 46 Cb -0.16 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.94 3kl2 s VAL 46 CO 0.10 -0.27 0.38 -0.76 0.00 0.00 0.00 175.10 174.55 3kl2 s LEU 47 N 1.42 4.63 -0.34 3.92 1.43 0.98 -2.64 118.68 128.08 3kl2 s LEU 47 Ca 0.00 -0.43 -0.17 0.00 -1.03 0.00 0.00 54.13 52.50 3kl2 s LEU 47 Cb -0.20 -2.34 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 3kl2 s LEU 47 CO 0.03 -0.43 0.47 -0.63 0.23 0.00 0.00 176.35 176.02 3kl2 s ILE 48 N 2.04 5.06 -1.32 -0.59 1.01 0.38 -0.49 121.20 127.29 3kl2 s ILE 48 Ca 0.11 0.34 -0.03 0.00 0.00 0.00 0.00 60.65 61.08 3kl2 s ILE 48 Cb -0.17 -3.91 0.01 0.00 0.01 0.00 0.00 42.46 38.41 3kl2 s ILE 48 CO 0.12 -0.14 0.86 -0.62 0.00 0.00 0.00 174.94 175.16 3kl2 n GLU 49 N 5.63 -5.70 -1.97 2.79 1.02 -0.10 -1.66 120.64 120.66 3kl2 n GLU 49 Ca -0.06 0.69 -0.42 0.00 -0.02 0.00 0.00 57.16 57.35 3kl2 n GLU 49 Cb 0.49 -5.46 0.00 0.00 -0.02 0.00 0.00 31.44 26.46 3kl2 n GLU 49 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3kl2 n TYR 50 N -4.36 3.33 -4.38 -0.32 4.01 -1.26 -4.59 117.16 109.59 3kl2 n TYR 50 Ca -0.22 -2.91 -0.30 0.00 -0.16 0.00 0.00 57.90 54.31 3kl2 n TYR 50 Cb 0.64 -2.33 -0.11 0.00 -0.31 0.00 0.00 39.34 37.23 3kl2 n TYR 50 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3kl2 s GLN 51 N 2.15 1.96 0.41 -0.72 -0.21 -1.26 -1.74 119.66 120.25 3kl2 s GLN 51 Ca 0.44 -1.08 0.19 0.00 0.02 0.00 0.00 55.36 54.93 3kl2 s GLN 51 Cb 0.12 -2.19 1.11 0.00 1.00 0.00 0.00 33.01 33.05 3kl2 s GLN 51 CO -0.05 0.51 1.82 -0.91 -2.12 0.00 0.00 175.29 174.53 3kl2 h ASN 52 N 3.94 0.41 -0.43 5.90 2.35 -1.08 0.38 115.58 127.04 3kl2 h ASN 52 Ca -0.49 0.06 0.13 0.00 -0.55 0.00 0.00 56.30 55.44 3kl2 h ASN 52 Cb 1.16 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.50 3kl2 h ASN 52 CO 0.48 0.13 0.42 -0.08 -1.65 0.00 0.00 177.43 176.73 3kl2 h GLU 53 N 0.39 0.00 0.00 0.81 4.57 -1.37 -1.54 114.58 117.44 3kl2 h GLU 53 Ca 0.53 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 58.40 3kl2 h GLU 53 Cb 1.35 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.89 3kl2 h GLU 53 CO -0.22 0.00 -2.11 1.19 -1.18 0.00 0.00 179.01 176.69 3kl2 n PHE 54 N -3.85 0.00 0.09 0.92 3.72 0.24 -1.30 117.46 117.28 3kl2 n PHE 54 Ca 0.08 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.35 3kl2 n PHE 54 Cb 0.61 -0.74 -0.10 0.00 -0.94 0.00 0.00 39.48 38.30 3kl2 n PHE 54 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3kl2 h THR 55 N -0.17 1.54 -3.81 4.37 2.02 0.19 -3.39 112.91 113.66 3kl2 h THR 55 Ca -0.45 -3.01 -0.53 0.00 0.77 0.00 0.00 66.41 63.19 3kl2 h THR 55 Cb 1.62 2.80 -0.21 0.00 -1.74 0.00 0.00 68.15 70.62 3kl2 h THR 55 CO -0.12 0.88 -0.81 -0.44 0.37 0.00 0.00 175.52 175.39 3kl2 s SER 56 N -7.01 2.45 0.03 4.18 0.01 -0.63 -5.00 113.70 107.73 3kl2 s SER 56 Ca -0.03 -0.71 -0.33 0.00 1.31 0.00 0.00 55.95 56.19 3kl2 s SER 56 Cb 0.08 -0.13 -0.12 0.00 0.21 0.00 0.00 66.02 66.07 3kl2 s SER 56 CO 0.86 0.02 1.80 -0.90 0.41 0.00 0.00 173.24 175.43 3kl2 n ASP 57 N 0.95 3.53 0.00 2.44 5.75 -1.26 -1.92 116.55 126.04 3kl2 n ASP 57 Ca -0.18 1.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.60 3kl2 n ASP 57 Cb 0.54 -1.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.20 3kl2 n ASP 57 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kl2 n GLY 58 N 4.11 0.59 3.77 6.12 0.00 -1.26 -5.11 105.19 113.40 3kl2 n GLY 58 Ca 0.20 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3kl2 n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kl2 s GLY 59 N -0.99 2.92 0.41 -0.02 0.00 -0.81 -4.89 107.32 103.94 3kl2 s GLY 59 Ca 0.00 1.49 0.16 0.00 0.00 0.00 0.00 44.72 46.36 3kl2 s GLY 59 CO 0.00 2.11 1.88 -2.08 0.00 0.00 0.00 173.10 175.01 3kl2 h VAL 60 N 2.37 0.74 -0.18 1.40 2.07 -1.88 -2.15 116.25 118.63 3kl2 h VAL 60 Ca -0.51 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3kl2 h VAL 60 Cb 1.26 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3kl2 h VAL 60 CO 0.61 0.08 0.00 0.18 0.02 0.00 0.00 177.57 178.47 3kl2 n LEU 61 N -4.51 3.03 -0.02 2.57 4.77 -0.42 -4.64 117.00 117.78 3kl2 n LEU 61 Ca 0.17 -2.64 -0.17 0.00 -0.03 0.00 0.00 56.01 53.34 3kl2 n LEU 61 Cb 0.60 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 3kl2 n LEU 61 CO 0.31 0.67 0.28 -0.74 -1.33 0.00 0.00 177.39 176.58 3kl2 h HIS 62 N 1.18 1.00 -0.91 -1.77 2.76 -0.86 -2.83 115.15 113.71 3kl2 h HIS 62 Ca 0.00 -0.44 0.15 0.00 -2.20 0.00 0.00 60.37 57.88 3kl2 h HIS 62 Cb 1.04 -0.15 -0.07 0.00 1.55 0.00 0.00 27.41 29.77 3kl2 h HIS 62 CO 0.25 1.27 0.58 0.78 -1.30 0.00 0.00 177.93 179.51 3kl2 h GLY 63 N 0.45 1.26 0.83 5.26 0.00 -1.82 0.31 103.07 109.34 3kl2 h GLY 63 Ca -0.05 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 3kl2 h GLY 63 CO 0.15 0.07 -0.21 0.00 0.00 0.00 0.00 176.54 176.55 3kl2 h ALA 64 N 1.60 0.29 0.00 3.60 0.00 -1.81 -3.21 119.26 119.72 3kl2 h ALA 64 Ca 0.47 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3kl2 h ALA 64 Cb 0.77 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3kl2 h ALA 64 CO -0.22 0.23 -0.41 -0.39 0.00 0.00 0.00 179.25 178.45 3kl2 h VAL 65 N 0.15 0.25 -0.69 0.00 -1.51 -1.27 -3.39 116.25 109.79 3kl2 h VAL 65 Ca 0.03 -1.37 0.14 0.00 -1.23 0.00 0.00 66.70 64.27 3kl2 h VAL 65 Cb 0.76 2.01 -0.13 0.00 -2.13 0.00 0.00 31.29 31.80 3kl2 h VAL 65 CO 0.05 0.14 -0.17 0.00 -1.23 0.00 0.00 177.57 176.36 3kl2 n ALA 66 N -2.17 0.17 0.21 5.19 0.00 0.07 -1.30 120.51 122.69 3kl2 n ALA 66 Ca 0.02 0.76 0.09 0.00 0.00 0.00 0.00 53.44 54.30 3kl2 n ALA 66 Cb 0.61 -0.46 0.38 0.00 0.00 0.00 0.00 19.45 19.98 3kl2 n ALA 66 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3kl2 h ASP 67 N 0.00 0.00 0.44 0.00 -0.00 -1.81 -2.81 116.42 112.24 3kl2 h ASP 67 Ca 0.33 0.00 -0.22 0.00 -0.00 0.00 0.00 57.03 57.15 3kl2 h ASP 67 Cb 0.51 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 39.80 3kl2 h ASP 67 CO -0.71 0.27 -1.74 0.52 -0.00 0.00 0.00 179.24 177.58 3kl2 n VAL 68 N -3.38 1.18 0.06 4.15 0.31 -0.42 -3.13 118.33 117.10 3kl2 n VAL 68 Ca 0.00 -0.73 0.01 0.00 -0.01 0.00 0.00 64.34 63.61 3kl2 n VAL 68 Cb 0.48 -0.65 0.33 0.00 -0.91 0.00 0.00 33.84 33.08 3kl2 n VAL 68 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 3kl2 h MET 69 N 0.00 0.38 0.15 5.55 2.86 -1.40 -2.96 114.93 119.51 3kl2 h MET 69 Ca -0.25 -0.09 -0.20 0.00 -2.06 0.00 0.00 59.70 57.09 3kl2 h MET 69 Cb 1.74 -0.05 0.02 0.00 0.06 0.00 0.00 31.60 33.38 3kl2 h MET 69 CO 0.04 0.49 -0.88 -0.56 1.06 0.00 0.00 176.91 177.06 3kl2 h GLN 70 N 0.36 0.34 0.00 1.72 3.07 -1.60 -2.80 115.11 116.20 3kl2 h GLN 70 Ca 0.07 -0.56 -0.10 0.00 0.09 0.00 0.00 58.65 58.16 3kl2 h GLN 70 Cb 0.39 0.21 -0.01 0.00 0.08 0.00 0.00 27.48 28.14 3kl2 h GLN 70 CO 0.02 1.26 -0.46 0.45 0.09 0.00 0.00 178.83 180.19 3kl2 h HIS 71 N -0.30 0.00 0.02 0.06 -0.00 -1.60 -3.22 115.15 110.11 3kl2 h HIS 71 Ca -0.15 0.00 -0.30 0.00 -0.00 0.00 0.00 60.37 59.92 3kl2 h HIS 71 Cb 1.69 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 29.05 3kl2 h HIS 71 CO 0.19 0.46 -1.69 1.79 -0.00 0.00 0.00 177.93 178.67 3kl2 h THR 72 N 0.00 0.88 -0.56 2.45 1.35 -1.63 -3.48 112.91 111.91 3kl2 h THR 72 Ca -0.00 -2.71 -0.18 0.00 -0.55 0.00 0.00 66.41 62.97 3kl2 h THR 72 Cb 0.86 2.46 -0.06 0.00 -1.73 0.00 0.00 68.15 69.69 3kl2 h THR 72 CO 0.06 0.56 -0.17 0.61 -0.25 0.00 0.00 175.52 176.33 3kl2 n GLY 73 N 1.59 0.87 0.38 5.82 0.00 -1.06 -4.92 105.19 107.88 3kl2 n GLY 73 Ca -0.17 -0.62 0.19 0.00 0.00 0.00 0.00 46.02 45.42 3kl2 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kl2 h MET 74 N 0.00 0.51 0.73 1.61 -0.00 -1.66 -2.19 114.93 113.93 3kl2 h MET 74 Ca -0.18 -0.03 -0.04 0.00 -0.00 0.00 0.00 59.70 59.45 3kl2 h MET 74 Cb 0.67 -0.11 0.01 0.00 -0.00 0.00 0.00 31.60 32.17 3kl2 h MET 74 CO 0.26 0.34 -0.35 1.25 -0.00 0.00 0.00 176.91 178.41 3kl2 h LEU 75 N 0.52 -0.83 -0.72 -0.10 5.85 -1.88 0.22 115.31 118.37 3kl2 h LEU 75 Ca 0.60 0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.41 3kl2 h LEU 75 Cb 1.29 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 42.47 3kl2 h LEU 75 CO -0.36 -0.57 0.41 0.00 -0.34 0.00 0.00 178.44 177.58 3kl2 h ALA 76 N -0.75 0.99 -0.81 1.25 0.00 -1.83 -1.05 119.26 117.04 3kl2 h ALA 76 Ca -0.10 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3kl2 h ALA 76 Cb 0.76 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3kl2 h ALA 76 CO 0.16 0.09 0.53 -0.91 0.00 0.00 0.00 179.25 179.13 3kl2 h ASN 77 N 0.75 0.81 -0.13 0.00 2.35 -1.34 -0.96 115.58 117.05 3kl2 h ASN 77 Ca 0.33 -0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.89 3kl2 h ASN 77 Cb 0.22 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.42 3kl2 h ASN 77 CO -0.19 0.54 -0.64 0.74 -1.65 0.00 0.00 177.43 176.22 3kl2 h THR 78 N 0.93 1.32 -0.78 2.81 2.02 -0.06 -0.06 112.91 119.08 3kl2 h THR 78 Ca 0.34 -1.90 0.02 0.00 0.77 0.00 0.00 66.41 65.64 3kl2 h THR 78 Cb 0.16 2.07 -0.04 0.00 -1.74 0.00 0.00 68.15 68.60 3kl2 h THR 78 CO -0.11 0.59 0.52 0.58 0.37 0.00 0.00 175.52 177.46 3kl2 h VAL 79 N 0.35 1.16 0.06 3.16 2.07 -0.93 0.32 116.25 122.44 3kl2 h VAL 79 Ca -0.04 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 3kl2 h VAL 79 Cb 1.28 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3kl2 h VAL 79 CO 0.13 0.18 -0.03 0.00 0.02 0.00 0.00 177.57 177.88 3kl2 h ALA 80 N 1.53 -0.07 -0.34 1.67 0.00 -1.02 -0.53 119.26 120.50 3kl2 h ALA 80 Ca 0.30 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.05 3kl2 h ALA 80 Cb -0.05 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 3kl2 h ALA 80 CO -0.08 -0.31 -0.12 0.28 0.00 0.00 0.00 179.25 179.03 3kl2 h VAL 81 N -0.55 0.59 -0.45 0.00 2.07 -0.68 -1.32 116.25 115.91 3kl2 h VAL 81 Ca -0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.54 3kl2 h VAL 81 Cb 0.48 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3kl2 h VAL 81 CO 0.01 0.00 0.24 0.58 0.02 0.00 0.00 177.57 178.42 3kl2 h VAL 82 N -0.05 0.99 -0.93 2.57 2.07 -0.37 0.27 116.25 120.81 3kl2 h VAL 82 Ca 0.17 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3kl2 h VAL 82 Cb 0.30 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 3kl2 h VAL 82 CO -0.38 0.09 0.53 0.44 0.02 0.00 0.00 177.57 178.27 3kl2 h ASP 83 N 0.47 1.14 -0.60 0.57 5.19 -0.65 -1.91 116.42 120.63 3kl2 h ASP 83 Ca 0.19 -0.09 -0.10 0.00 -0.62 0.00 0.00 57.03 56.41 3kl2 h ASP 83 Cb 0.07 -0.29 -0.02 0.00 0.18 0.00 0.00 39.33 39.27 3kl2 h ASP 83 CO -0.12 0.90 -0.01 0.00 -3.12 0.00 0.00 179.24 176.89 3kl2 h ALA 84 N 1.29 0.84 -0.58 3.45 0.00 -0.72 -2.80 119.26 120.73 3kl2 h ALA 84 Ca 0.33 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3kl2 h ALA 84 Cb -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3kl2 h ALA 84 CO -0.06 0.67 0.38 0.00 0.00 0.00 0.00 179.25 180.25 3kl2 h ALA 85 N 1.00 0.74 -0.03 0.00 0.00 -0.21 -1.68 119.26 119.08 3kl2 h ALA 85 Ca 0.17 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kl2 h ALA 85 Cb 0.57 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kl2 h ALA 85 CO 0.03 0.16 0.02 0.00 0.00 0.00 0.00 179.25 179.46 3kl2 h ARG 86 N 0.78 0.04 -0.89 0.00 3.08 -1.34 0.95 114.38 117.01 3kl2 h ARG 86 Ca 0.22 -0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.41 3kl2 h ARG 86 Cb -0.07 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 29.87 3kl2 h ARG 86 CO -0.06 0.14 0.48 0.37 -1.07 0.00 0.00 179.97 179.83 3kl2 h GLN 87 N -0.06 0.66 0.00 0.04 5.75 -1.32 0.21 115.11 120.39 3kl2 h GLN 87 Ca 0.01 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 3kl2 h GLN 87 Cb 0.11 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.51 3kl2 h GLN 87 CO -0.00 0.44 0.00 0.00 -2.65 0.00 0.00 178.83 176.61 3kl2 n ALA 88 N -2.40 2.22 -1.17 3.38 0.00 -0.65 -4.93 120.51 116.96 3kl2 n ALA 88 Ca 0.18 -0.10 -0.06 0.00 0.00 0.00 0.00 53.44 53.46 3kl2 n ALA 88 Cb 0.45 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 3kl2 n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kl2 n GLY 89 N 1.15 0.84 3.69 0.00 0.00 0.74 -4.85 105.19 106.77 3kl2 n GLY 89 Ca 0.08 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 3kl2 n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kl2 s VAL 90 N -2.21 4.60 0.43 1.61 1.01 -0.18 -4.90 120.40 120.75 3kl2 s VAL 90 Ca 0.00 1.88 -0.25 0.00 0.00 0.00 0.00 61.98 63.61 3kl2 s VAL 90 Cb 0.00 -4.20 -0.08 0.00 0.00 0.00 0.00 36.38 32.10 3kl2 s VAL 90 CO 0.00 0.04 1.26 -2.16 0.00 0.00 0.00 175.10 174.24 3kl2 s PRO 91 N 1.78 3.87 -0.23 2.72 0.04 -1.26 -4.30 135.00 137.63 3kl2 s PRO 91 Ca 0.52 2.03 -0.10 0.00 0.04 0.00 0.00 61.00 63.49 3kl2 s PRO 91 Cb -0.21 -2.64 -0.05 0.00 0.04 0.00 0.00 34.50 31.64 3kl2 s PRO 91 CO 0.22 -0.53 0.14 0.42 0.04 0.00 0.00 177.00 177.29 3kl2 s ILE 92 N -1.34 5.29 -0.21 0.56 -1.09 -1.26 -1.53 121.20 121.62 3kl2 s ILE 92 Ca 0.59 0.15 0.01 0.00 -2.23 0.00 0.00 60.65 59.18 3kl2 s ILE 92 Cb -0.35 -3.45 0.03 0.00 -1.58 0.00 0.00 42.46 37.11 3kl2 s ILE 92 CO 0.44 0.37 -0.15 -0.04 -1.23 0.00 0.00 174.94 174.33 3kl2 s MET 93 N 0.89 2.78 -0.07 2.79 -1.94 0.27 -1.41 119.30 122.61 3kl2 s MET 93 Ca 0.07 -0.98 -0.17 0.00 -1.71 0.00 0.00 55.69 52.91 3kl2 s MET 93 Cb -0.13 -2.72 -0.05 0.00 2.01 0.00 0.00 34.83 33.94 3kl2 s MET 93 CO 0.03 -0.33 0.44 -1.01 -0.01 0.00 0.00 175.02 174.14 3kl2 s HIS 94 N 1.25 3.60 -0.50 -0.03 3.76 0.44 -0.02 115.29 123.79 3kl2 s HIS 94 Ca 0.01 0.92 0.04 0.00 -0.15 0.00 0.00 55.06 55.88 3kl2 s HIS 94 Cb -0.15 -2.44 0.13 0.00 1.11 0.00 0.00 32.58 31.23 3kl2 s HIS 94 CO -0.10 0.37 0.25 0.00 -0.85 0.00 0.00 174.74 174.41 3kl2 s ALA 95 N -0.09 3.16 0.38 -1.40 0.00 0.36 -0.80 121.76 123.36 3kl2 s ALA 95 Ca 0.24 -3.17 -0.10 0.00 0.00 0.00 0.00 51.96 48.93 3kl2 s ALA 95 Cb -0.16 -2.12 -0.06 0.00 0.00 0.00 0.00 23.12 20.78 3kl2 s ALA 95 CO 0.11 -2.01 0.74 -1.25 0.00 0.00 0.00 175.76 173.35 3kl2 s PRO 96 N -0.18 3.78 -0.13 0.00 0.04 -1.26 -0.92 135.00 136.33 3kl2 s PRO 96 Ca 0.17 0.43 -0.03 0.00 0.04 0.00 0.00 61.00 61.61 3kl2 s PRO 96 Cb -0.26 -2.42 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 3kl2 s PRO 96 CO -0.00 0.01 -0.02 -1.50 0.04 0.00 0.00 177.00 175.52 3kl2 s ILE 97 N -2.30 4.06 0.02 0.56 2.07 -1.26 -4.37 121.20 119.98 3kl2 s ILE 97 Ca 0.51 -0.31 -0.15 0.00 -1.41 0.00 0.00 60.65 59.29 3kl2 s ILE 97 Cb -0.10 -2.76 0.02 0.00 0.13 0.00 0.00 42.46 39.75 3kl2 s ILE 97 CO 0.30 0.53 0.32 0.42 -1.91 0.00 0.00 174.94 174.60 3kl2 s THR 98 N -0.06 0.07 -0.01 4.00 -4.23 -1.21 -4.83 115.64 109.37 3kl2 s THR 98 Ca 0.02 -0.57 0.02 0.00 -1.18 0.00 0.00 61.69 59.98 3kl2 s THR 98 Cb -0.13 -0.82 -0.00 0.00 1.34 0.00 0.00 72.50 72.88 3kl2 s THR 98 CO 0.02 -0.32 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.35 3kl2 s PHE 99 N -2.07 0.75 0.39 3.99 0.08 0.37 -4.69 117.98 116.80 3kl2 s PHE 99 Ca -0.08 -0.15 -0.26 0.00 0.12 0.00 0.00 56.93 56.55 3kl2 s PHE 99 Cb -0.02 -0.50 -0.11 0.00 -0.57 0.00 0.00 43.02 41.81 3kl2 s PHE 99 CO -0.00 -0.03 1.21 0.00 -0.10 0.00 0.00 175.22 176.29 3kl2 n ALA 100 N 3.00 0.98 -1.66 5.36 0.00 -1.26 -0.09 120.51 126.83 3kl2 n ALA 100 Ca -0.15 0.29 -0.49 0.00 0.00 0.00 0.00 53.44 53.09 3kl2 n ALA 100 Cb 0.56 -2.21 -0.05 0.00 0.00 0.00 0.00 19.45 17.75 3kl2 n ALA 100 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3kl2 n GLU 101 N 0.25 1.79 0.00 0.00 2.13 -1.26 -1.71 120.64 121.84 3kl2 n GLU 101 Ca 0.07 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.54 3kl2 n GLU 101 Cb 0.38 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 29.69 3kl2 n GLU 101 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kl2 n GLY 102 N 3.52 0.31 2.72 8.31 0.00 -1.26 -4.61 105.19 114.19 3kl2 n GLY 102 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 3kl2 n GLY 102 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kl2 n TYR 103 N -1.96 -1.50 1.69 1.61 4.01 -0.70 -4.86 117.16 115.46 3kl2 n TYR 103 Ca 0.00 0.23 0.15 0.00 -0.16 0.00 0.00 57.90 58.12 3kl2 n TYR 103 Cb 0.00 -3.81 0.85 0.00 -0.31 0.00 0.00 39.34 36.07 3kl2 n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kl2 n GLY 104 N -1.16 -1.15 0.04 2.72 0.00 -1.26 -2.66 105.19 101.72 3kl2 n GLY 104 Ca -0.16 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 45.82 3kl2 n GLY 104 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kl2 n GLU 105 N -1.15 0.18 -3.92 1.61 1.02 -1.26 -4.90 120.64 112.21 3kl2 n GLU 105 Ca 0.19 -0.08 -0.23 0.00 -0.02 0.00 0.00 57.16 57.02 3kl2 n GLU 105 Cb 0.18 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.05 3kl2 n GLU 105 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kl2 s LEU 106 N -2.88 3.32 0.59 -4.62 1.43 -1.09 -5.11 118.68 110.33 3kl2 s LEU 106 Ca 0.15 -0.79 -0.19 0.00 -1.03 0.00 0.00 54.13 52.27 3kl2 s LEU 106 Cb 0.18 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 3kl2 s LEU 106 CO 0.61 -0.46 1.06 1.07 0.23 0.00 0.00 176.35 178.87 3kl2 n THR 107 N -1.31 3.86 0.29 5.49 5.66 -1.26 -4.90 114.28 122.10 3kl2 n THR 107 Ca -0.01 -0.50 0.18 0.00 -3.05 0.00 0.00 64.05 60.67 3kl2 n THR 107 Cb 0.62 -1.26 0.79 0.00 -1.55 0.00 0.00 70.33 68.93 3kl2 n THR 107 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 3kl2 h ARG 108 N 0.65 0.00 -1.99 1.09 -0.00 -1.97 -3.35 114.38 108.82 3kl2 h ARG 108 Ca -0.49 0.00 -0.54 0.00 -0.50 0.00 0.00 59.98 58.45 3kl2 h ARG 108 Cb 1.35 0.00 -0.41 0.00 0.00 0.00 0.00 29.97 30.91 3kl2 h ARG 108 CO 0.52 0.03 -0.85 0.72 0.00 0.00 0.00 179.97 180.39 3kl2 n HIS 109 N -3.16 2.71 -1.82 3.04 8.25 -1.26 -5.11 115.22 117.88 3kl2 n HIS 109 Ca -0.00 -3.72 -0.38 0.00 -0.26 0.00 0.00 57.72 53.36 3kl2 n HIS 109 Cb 0.26 -0.40 0.04 0.00 1.12 0.00 0.00 29.99 31.01 3kl2 n HIS 109 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3kl2 s PRO 110 N -3.19 3.05 0.50 -0.41 0.04 -1.26 -5.04 135.00 128.70 3kl2 s PRO 110 Ca 0.45 2.15 0.01 0.00 0.04 0.00 0.00 61.00 63.65 3kl2 s PRO 110 Cb 0.33 -2.16 -0.01 0.00 0.04 0.00 0.00 34.50 32.69 3kl2 s PRO 110 CO -0.12 -1.23 0.01 1.52 0.04 0.00 0.00 177.00 177.22 3kl2 s TYR 111 N -1.35 1.88 0.00 0.56 1.13 -1.26 -4.64 117.35 113.66 3kl2 s TYR 111 Ca 0.74 -0.96 0.00 0.00 -1.41 0.00 0.00 57.07 55.43 3kl2 s TYR 111 Cb -0.39 -1.60 0.00 0.00 -1.10 0.00 0.00 41.96 38.88 3kl2 s TYR 111 CO 0.45 0.21 0.00 0.41 -2.51 0.00 0.00 175.55 174.11 3kl2 n GLY 112 N -1.24 0.18 0.44 5.49 0.00 -1.26 -3.73 105.19 105.07 3kl2 n GLY 112 Ca -0.18 -0.85 0.25 0.00 0.00 0.00 0.00 46.02 45.25 3kl2 n GLY 112 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kl2 h ILE 113 N 0.00 0.55 0.00 -0.61 6.09 -2.02 -0.63 117.51 120.89 3kl2 h ILE 113 Ca 0.00 -0.08 -0.05 0.00 -1.37 0.00 0.00 64.86 63.36 3kl2 h ILE 113 Cb 0.00 0.31 -0.01 0.00 0.47 0.00 0.00 36.82 37.59 3kl2 h ILE 113 CO 0.00 0.04 -0.24 -0.07 -3.07 0.00 0.00 178.15 174.81 3kl2 h LEU 114 N 0.22 0.00 -0.44 2.19 3.38 -1.97 -2.53 115.31 116.16 3kl2 h LEU 114 Ca 0.51 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.56 3kl2 h LEU 114 Cb 1.60 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.29 3kl2 h LEU 114 CO -0.14 0.24 0.04 0.50 0.09 0.00 0.00 178.44 179.17 3kl2 h LYS 115 N 0.00 0.15 0.00 1.13 3.64 -1.19 -1.85 116.57 118.46 3kl2 h LYS 115 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3kl2 h LYS 115 Cb 0.74 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 3kl2 h LYS 115 CO 0.03 0.10 0.00 0.78 -2.27 0.00 0.00 179.45 178.09 3kl2 h GLY 116 N 0.16 0.00 0.82 5.01 0.00 -1.58 0.51 103.07 107.98 3kl2 h GLY 116 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.29 3kl2 h GLY 116 CO -0.33 0.00 -1.20 -2.08 0.00 0.00 0.00 176.54 172.94 3kl2 h VAL 117 N 0.00 1.30 0.11 4.60 2.07 -1.41 -2.96 116.25 119.96 3kl2 h VAL 117 Ca 0.00 -2.54 -0.01 0.00 0.82 0.00 0.00 66.70 64.97 3kl2 h VAL 117 Cb 0.22 3.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.01 3kl2 h VAL 117 CO 0.00 0.75 -0.05 0.58 0.02 0.00 0.00 177.57 178.87 3kl2 h VAL 118 N -0.19 1.08 -0.75 2.57 2.07 -0.56 -2.32 116.25 118.15 3kl2 h VAL 118 Ca -0.23 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.49 3kl2 h VAL 118 Cb 1.84 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 33.16 3kl2 h VAL 118 CO 0.16 0.19 0.45 0.44 0.02 0.00 0.00 177.57 178.84 3kl2 h ASP 119 N -0.52 0.90 -0.32 0.57 3.32 -1.08 -1.48 116.42 117.81 3kl2 h ASP 119 Ca -0.01 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3kl2 h ASP 119 Cb 0.42 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3kl2 h ASP 119 CO 0.02 0.70 0.00 0.61 -1.72 0.00 0.00 179.24 178.86 3kl2 n GLY 120 N -1.18 1.95 4.11 2.75 0.00 -1.12 -4.97 105.19 106.74 3kl2 n GLY 120 Ca 0.07 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 3kl2 n GLY 120 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kl2 n LYS 121 N 0.39 -0.62 -4.00 1.61 5.02 -0.56 -4.94 118.16 115.07 3kl2 n LYS 121 Ca 0.14 0.04 -0.24 0.00 -2.02 0.00 0.00 58.31 56.24 3kl2 n LYS 121 Cb 0.65 -2.72 -0.03 0.00 -0.02 0.00 0.00 35.03 32.91 3kl2 n LYS 121 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kl2 s ALA 122 N -3.98 3.84 -1.50 7.82 0.00 -0.90 -4.61 121.76 122.44 3kl2 s ALA 122 Ca 0.22 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 3kl2 s ALA 122 Cb -0.12 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.37 3kl2 s ALA 122 CO 0.90 0.38 0.48 1.19 0.00 0.00 0.00 175.76 178.71 3kl2 n PHE 123 N -0.95 -1.70 -2.40 0.00 3.01 -1.26 -4.82 117.46 109.35 3kl2 n PHE 123 Ca -0.08 0.41 -0.42 0.00 1.01 0.00 0.00 57.45 58.37 3kl2 n PHE 123 Cb 0.56 -4.22 -0.03 0.00 -0.01 0.00 0.00 39.48 35.78 3kl2 n PHE 123 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kl2 s VAL 124 N -3.12 3.97 0.18 -4.37 1.01 -1.26 -0.47 120.40 116.34 3kl2 s VAL 124 Ca 0.24 1.41 -0.32 0.00 0.00 0.00 0.00 61.98 63.31 3kl2 s VAL 124 Cb -0.11 -3.90 -0.16 0.00 0.00 0.00 0.00 36.38 32.21 3kl2 s VAL 124 CO 0.30 0.10 1.07 1.17 0.00 0.00 0.00 175.10 177.74 3kl2 n LYS 125 N 4.02 1.01 0.00 2.72 0.00 0.87 -2.38 118.16 124.40 3kl2 n LYS 125 Ca 0.09 0.36 0.00 0.00 0.00 0.00 0.00 58.31 58.76 3kl2 n LYS 125 Cb 0.46 -1.79 0.00 0.00 0.00 0.00 0.00 35.03 33.70 3kl2 n LYS 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kl2 n GLY 126 N 1.86 3.16 3.85 3.14 0.00 -1.26 -4.81 105.19 111.13 3kl2 n GLY 126 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3kl2 n GLY 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kl2 s THR 127 N -1.69 2.34 0.15 2.61 -4.23 -1.00 -4.96 115.64 108.86 3kl2 s THR 127 Ca 0.00 0.11 -0.11 0.00 -1.18 0.00 0.00 61.69 60.51 3kl2 s THR 127 Cb 0.00 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.84 3kl2 s THR 127 CO 0.00 -0.14 1.55 -0.25 -0.54 0.00 0.00 174.62 175.24 3kl2 h TRP 128 N -1.15 1.09 -0.90 3.99 7.01 -1.95 -2.78 115.95 121.26 3kl2 h TRP 128 Ca -0.47 -0.25 0.17 0.00 2.11 0.00 0.00 58.89 60.44 3kl2 h TRP 128 Cb 1.31 -0.26 -0.07 0.00 -2.10 0.00 0.00 29.16 28.04 3kl2 h TRP 128 CO 0.35 1.06 0.58 0.78 -2.79 0.00 0.00 178.44 178.42 3kl2 h GLY 129 N 0.81 1.14 0.24 2.65 0.00 -1.93 -1.27 103.07 104.72 3kl2 h GLY 129 Ca 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3kl2 h GLY 129 CO 0.06 0.04 -0.11 0.00 0.00 0.00 0.00 176.54 176.53 3kl2 n ALA 130 N -2.45 2.79 -1.80 3.60 0.00 -1.07 -1.06 120.51 120.53 3kl2 n ALA 130 Ca 0.19 -0.36 -0.38 0.00 0.00 0.00 0.00 53.44 52.88 3kl2 n ALA 130 Cb 0.56 -1.23 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 3kl2 n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kl2 s ALA 131 N -2.28 3.27 0.27 0.00 0.00 -0.48 -4.87 121.76 117.68 3kl2 s ALA 131 Ca 0.32 0.52 -0.29 0.00 0.00 0.00 0.00 51.96 52.51 3kl2 s ALA 131 Cb 0.20 -3.16 -0.10 0.00 0.00 0.00 0.00 23.12 20.07 3kl2 s ALA 131 CO 0.43 0.20 1.32 0.42 0.00 0.00 0.00 175.76 178.13 3kl2 s ILE 132 N -1.46 2.90 0.46 0.00 1.01 -1.26 -1.42 121.20 121.43 3kl2 s ILE 132 Ca 0.46 0.82 -0.24 0.00 0.00 0.00 0.00 60.65 61.69 3kl2 s ILE 132 Cb -0.21 -3.52 -0.08 0.00 0.01 0.00 0.00 42.46 38.66 3kl2 s ILE 132 CO 0.26 0.16 1.33 0.55 0.00 0.00 0.00 174.94 177.25 3kl2 n VAL 133 N 1.70 2.92 0.02 2.92 3.14 -0.71 -4.74 118.33 123.57 3kl2 n VAL 133 Ca 0.03 -0.50 -0.03 0.00 -2.96 0.00 0.00 64.34 60.88 3kl2 n VAL 133 Cb 0.42 -1.67 0.21 0.00 -1.06 0.00 0.00 33.84 31.74 3kl2 n VAL 133 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 3kl2 h ASP 134 N 1.98 0.48 -0.76 6.55 3.32 -1.92 -0.11 116.42 125.96 3kl2 h ASP 134 Ca -0.49 -0.16 0.19 0.00 0.02 0.00 0.00 57.03 56.59 3kl2 h ASP 134 Cb 1.29 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.67 3kl2 h ASP 134 CO 0.59 0.72 0.53 -0.33 -1.72 0.00 0.00 179.24 179.03 3kl2 h GLU 135 N 0.43 0.17 -0.20 3.56 5.08 -2.00 -2.38 114.58 119.24 3kl2 h GLU 135 Ca 0.07 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 3kl2 h GLU 135 Cb 0.65 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 3kl2 h GLU 135 CO 0.05 0.11 -0.21 1.28 -1.00 0.00 0.00 179.01 179.24 3kl2 n LEU 136 N -4.40 3.48 -4.77 1.33 4.77 -0.08 -4.99 117.00 112.34 3kl2 n LEU 136 Ca 0.15 -3.70 -0.41 0.00 -0.03 0.00 0.00 56.01 52.02 3kl2 n LEU 136 Cb 0.71 -0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 3kl2 n LEU 136 CO 0.35 1.22 1.07 0.00 -1.33 0.00 0.00 177.39 178.70 3kl2 s ALA 137 N -3.18 3.55 -0.09 -1.18 0.00 -0.90 -4.82 121.76 115.15 3kl2 s ALA 137 Ca 0.41 1.41 -0.29 0.00 0.00 0.00 0.00 51.96 53.49 3kl2 s ALA 137 Cb 0.38 -3.55 -0.06 0.00 0.00 0.00 0.00 23.12 19.89 3kl2 s ALA 137 CO -0.02 -0.84 1.78 -2.14 0.00 0.00 0.00 175.76 174.55 3kl2 s PRO 138 N -1.72 3.96 0.24 0.00 0.02 -1.26 -4.99 135.00 131.26 3kl2 s PRO 138 Ca 0.52 2.15 0.03 0.00 0.02 0.00 0.00 61.00 63.72 3kl2 s PRO 138 Cb -0.43 -4.08 -0.03 0.00 0.02 0.00 0.00 34.50 29.97 3kl2 s PRO 138 CO 0.56 -1.12 0.39 0.14 -0.33 0.00 0.00 177.00 176.64 3kl2 s VAL 139 N 4.89 5.23 0.16 3.83 -7.23 -1.26 -4.96 120.40 121.05 3kl2 s VAL 139 Ca 0.80 -0.75 -0.34 0.00 -1.81 0.00 0.00 61.98 59.89 3kl2 s VAL 139 Cb -0.34 -3.82 -0.16 0.00 0.56 0.00 0.00 36.38 32.62 3kl2 s VAL 139 CO 0.33 -0.31 1.21 0.59 -0.31 0.00 0.00 175.10 176.61 3kl2 n ASN 140 N -1.23 1.46 0.00 4.85 3.02 -1.26 -0.73 115.26 121.37 3kl2 n ASN 140 Ca -0.07 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.61 3kl2 n ASN 140 Cb 0.56 -1.22 0.00 0.00 -0.61 0.00 0.00 39.78 38.51 3kl2 n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kl2 n GLY 141 N 2.13 3.10 3.74 7.41 0.00 -1.26 -5.08 105.19 115.25 3kl2 n GLY 141 Ca 0.16 -0.87 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 3kl2 n GLY 141 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kl2 s ASP 142 N 0.00 5.08 -0.13 1.61 1.01 0.09 -4.83 116.67 119.50 3kl2 s ASP 142 Ca 0.00 2.73 -0.03 0.00 0.71 0.00 0.00 52.55 55.96 3kl2 s ASP 142 Cb 0.00 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 3kl2 s ASP 142 CO 0.00 -1.69 -0.04 -0.63 0.21 0.00 0.00 175.17 173.02 3kl2 s ILE 143 N -1.33 3.90 -0.44 0.77 1.01 -0.50 -4.91 121.20 119.69 3kl2 s ILE 143 Ca 0.75 -0.37 -0.08 0.00 0.00 0.00 0.00 60.65 60.95 3kl2 s ILE 143 Cb -0.40 -2.68 0.11 0.00 0.01 0.00 0.00 42.46 39.50 3kl2 s ILE 143 CO 0.46 0.52 0.29 -0.69 0.00 0.00 0.00 174.94 175.52 3kl2 s VAL 144 N 0.05 4.00 0.30 2.92 1.01 -1.26 -0.42 120.40 126.99 3kl2 s VAL 144 Ca 0.00 -1.76 -0.30 0.00 0.00 0.00 0.00 61.98 59.92 3kl2 s VAL 144 Cb -0.13 -3.61 -0.12 0.00 0.00 0.00 0.00 36.38 32.52 3kl2 s VAL 144 CO 0.03 -0.69 1.51 -0.38 0.00 0.00 0.00 175.10 175.56 3kl2 n ILE 145 N 4.84 1.28 -4.59 2.22 2.08 0.01 -4.97 119.36 120.23 3kl2 n ILE 145 Ca -0.07 -0.32 -0.33 0.00 0.56 0.00 0.00 62.75 62.59 3kl2 n ILE 145 Cb 0.41 -1.83 -0.11 0.00 -0.75 0.00 0.00 39.64 37.36 3kl2 n ILE 145 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 3kl2 s GLU 146 N -0.91 2.63 0.00 0.38 2.02 -1.26 -4.42 118.70 117.14 3kl2 s GLU 146 Ca 0.62 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.97 3kl2 s GLU 146 Cb -0.53 -2.53 0.00 0.00 0.10 0.00 0.00 34.13 31.18 3kl2 s GLU 146 CO 0.53 0.63 0.00 0.41 0.02 0.00 0.00 175.26 176.85 3kl2 n GLY 147 N 1.96 1.63 3.67 -1.39 0.00 -1.26 -2.58 105.19 107.21 3kl2 n GLY 147 Ca -0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 3kl2 n GLY 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kl2 n LYS 148 N -0.25 2.69 0.00 1.61 4.81 -1.21 -4.66 118.16 121.15 3kl2 n LYS 148 Ca 0.00 0.99 0.00 0.00 -0.87 0.00 0.00 58.31 58.43 3kl2 n LYS 148 Cb 0.00 -2.92 0.00 0.00 0.02 0.00 0.00 35.03 32.13 3kl2 n LYS 148 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3kl2 n ARG 149 N 7.33 5.38 -0.35 1.64 5.12 -1.26 -3.29 116.66 131.22 3kl2 n ARG 149 Ca 0.21 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 56.10 3kl2 n ARG 149 Cb 0.38 -0.45 0.00 0.00 -1.16 0.00 0.00 32.46 31.23 3kl2 n ARG 149 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kl2 n GLY 150 N 0.78 6.64 0.13 -0.13 0.00 -1.26 -5.02 105.19 106.32 3kl2 n GLY 150 Ca 0.00 -1.91 -0.20 0.00 0.00 0.00 0.00 46.02 43.91 3kl2 n GLY 150 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kl2 h LEU 151 N 0.00 0.53 -8.65 0.99 -0.00 -1.96 -3.44 115.31 102.79 3kl2 h LEU 151 Ca 0.00 -0.77 -0.60 0.00 -0.00 0.00 0.00 57.88 56.51 3kl2 h LEU 151 Cb 0.00 -0.17 -0.10 0.00 -0.00 0.00 0.00 40.66 40.38 3kl2 h LEU 151 CO 0.00 1.65 0.61 -0.62 -0.00 0.00 0.00 178.44 180.08 3kl2 s ASP 152 N -7.17 6.49 0.53 -0.43 -1.08 -1.26 -4.34 116.67 109.41 3kl2 s ASP 152 Ca -0.13 0.08 0.26 0.00 -0.52 0.00 0.00 52.55 52.24 3kl2 s ASP 152 Cb 0.06 -2.46 1.41 0.00 -1.46 0.00 0.00 42.92 40.47 3kl2 s ASP 152 CO 0.86 -1.09 1.99 0.74 0.52 0.00 0.00 175.17 178.19 3kl2 h THR 153 N 6.09 0.71 0.00 1.71 2.02 -1.85 0.43 112.91 122.03 3kl2 h THR 153 Ca -0.24 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3kl2 h THR 153 Cb 1.07 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 3kl2 h THR 153 CO 1.04 0.00 0.00 -0.26 0.37 0.00 0.00 175.52 176.67 3kl2 h PHE 154 N 0.00 0.00 0.00 3.16 0.04 -1.92 -3.28 116.94 114.94 3kl2 h PHE 154 Ca 0.25 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.99 3kl2 h PHE 154 Cb 1.02 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.16 3kl2 h PHE 154 CO 0.00 0.00 -0.36 0.00 -0.60 0.00 0.00 178.31 177.35 3kl2 h ALA 155 N 2.09 0.83 -0.11 2.45 0.00 -0.53 -3.38 119.26 120.61 3kl2 h ALA 155 Ca 0.00 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 3kl2 h ALA 155 Cb 0.72 -0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.19 3kl2 h ALA 155 CO 0.00 0.17 -0.83 -1.13 0.00 0.00 0.00 179.25 177.46 3kl2 n SER 156 N -3.03 0.47 -3.54 0.00 3.41 -1.24 -5.06 113.62 104.63 3kl2 n SER 156 Ca 0.02 -2.03 -0.17 0.00 -0.26 0.00 0.00 58.87 56.43 3kl2 n SER 156 Cb 0.59 -0.12 -0.08 0.00 -0.26 0.00 0.00 64.21 64.34 3kl2 n SER 156 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kl2 s THR 157 N -0.95 0.00 -1.59 6.66 -4.23 -1.24 -3.35 115.64 110.95 3kl2 s THR 157 Ca 0.23 -1.97 0.15 0.00 -1.18 0.00 0.00 61.69 58.91 3kl2 s THR 157 Cb 0.30 -2.51 0.50 0.00 1.34 0.00 0.00 72.50 72.14 3kl2 s THR 157 CO -0.10 0.00 1.39 -0.46 -0.54 0.00 0.00 174.62 174.91 3kl2 n ASN 158 N -1.26 3.25 -0.21 3.99 0.23 -1.07 -4.52 115.26 115.67 3kl2 n ASN 158 Ca 0.06 -2.18 -0.03 0.00 -0.53 0.00 0.00 54.58 51.91 3kl2 n ASN 158 Cb 0.63 -0.43 0.08 0.00 -2.08 0.00 0.00 39.78 37.98 3kl2 n ASN 158 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 3kl2 h LEU 159 N 3.03 0.50 -0.04 -4.53 5.85 -1.86 -1.20 115.31 117.06 3kl2 h LEU 159 Ca 0.00 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3kl2 h LEU 159 Cb 0.94 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 3kl2 h LEU 159 CO 0.09 0.33 -0.04 -0.78 -0.34 0.00 0.00 178.44 177.71 3kl2 h ASP 160 N 0.64 0.10 -0.51 1.25 3.58 -1.90 0.59 116.42 120.17 3kl2 h ASP 160 Ca 0.27 -0.51 0.10 0.00 0.42 0.00 0.00 57.03 57.31 3kl2 h ASP 160 Cb 0.15 -0.03 -0.10 0.00 1.72 0.00 0.00 39.33 41.07 3kl2 h ASP 160 CO -0.17 0.59 -0.19 0.15 -2.88 0.00 0.00 179.24 176.74 3kl2 h PHE 161 N -0.39 -0.46 -0.03 0.28 3.57 -1.83 -1.10 116.94 116.97 3kl2 h PHE 161 Ca 0.00 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3kl2 h PHE 161 Cb 0.57 0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.59 3kl2 h PHE 161 CO 0.10 -0.28 -0.01 0.82 -2.23 0.00 0.00 178.31 176.71 3kl2 h ILE 162 N -0.07 1.32 -0.57 1.41 2.04 -1.06 0.19 117.51 120.77 3kl2 h ILE 162 Ca 0.24 -0.99 0.12 0.00 1.00 0.00 0.00 64.86 65.23 3kl2 h ILE 162 Cb 0.45 1.92 -0.11 0.00 -0.74 0.00 0.00 36.82 38.34 3kl2 h ILE 162 CO -0.56 0.26 -0.11 -0.07 0.00 0.00 0.00 178.15 177.67 3kl2 h LEU 163 N -0.32 -0.47 -0.22 1.44 3.38 -0.62 -0.81 115.31 117.69 3kl2 h LEU 163 Ca 0.01 0.16 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 3kl2 h LEU 163 Cb 0.43 0.33 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 3kl2 h LEU 163 CO 0.00 -0.17 -0.25 0.03 0.09 0.00 0.00 178.44 178.14 3kl2 h ARG 164 N 0.03 0.56 -0.63 1.13 2.47 -0.99 -1.23 114.38 115.72 3kl2 h ARG 164 Ca 0.28 -0.31 0.04 0.00 -1.26 0.00 0.00 59.98 58.73 3kl2 h ARG 164 Cb 0.44 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.74 3kl2 h ARG 164 CO -0.57 0.90 0.42 1.03 0.56 0.00 0.00 179.97 182.31 3kl2 h SER 165 N 0.25 0.62 1.34 7.04 0.87 -0.68 -0.74 113.55 122.25 3kl2 h SER 165 Ca 0.03 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3kl2 h SER 165 Cb 0.81 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 3kl2 h SER 165 CO 0.06 0.42 0.00 0.29 -0.53 0.00 0.00 176.83 177.07 3kl2 n LYS 166 N -4.47 0.20 -1.82 2.24 5.02 -0.33 -4.89 118.16 114.11 3kl2 n LYS 166 Ca 0.08 0.18 -0.02 0.00 -2.02 0.00 0.00 58.31 56.53 3kl2 n LYS 166 Cb 0.16 -1.74 -0.00 0.00 -0.02 0.00 0.00 35.03 33.42 3kl2 n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kl2 n GLY 167 N 1.28 0.34 3.76 0.72 0.00 -0.28 -4.95 105.19 106.06 3kl2 n GLY 167 Ca 0.06 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 3kl2 n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kl2 s VAL 168 N -2.10 4.66 0.00 1.61 1.01 -0.52 -4.58 120.40 120.48 3kl2 s VAL 168 Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.54 3kl2 s VAL 168 Cb 0.00 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.30 3kl2 s VAL 168 CO 0.00 0.43 0.06 -0.90 0.00 0.00 0.00 175.10 174.69 3kl2 n ASP 169 N 2.38 0.12 -4.15 3.32 5.68 0.16 -4.62 116.55 119.45 3kl2 n ASP 169 Ca -0.05 -0.47 -0.29 0.00 -0.50 0.00 0.00 54.79 53.48 3kl2 n ASP 169 Cb 0.50 0.60 -0.17 0.00 -1.14 0.00 0.00 41.12 40.91 3kl2 n ASP 169 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3kl2 s THR 170 N -0.60 1.71 -0.07 2.12 2.01 -0.80 -0.24 115.64 119.76 3kl2 s THR 170 Ca 0.00 -0.81 0.05 0.00 0.31 0.00 0.00 61.69 61.24 3kl2 s THR 170 Cb 0.00 -1.50 -0.01 0.00 0.01 0.00 0.00 72.50 71.01 3kl2 s THR 170 CO 0.00 0.48 -0.25 0.27 -0.69 0.00 0.00 174.62 174.44 3kl2 s ILE 171 N 0.46 2.05 -0.37 1.82 -4.36 -0.20 -1.38 121.20 119.22 3kl2 s ILE 171 Ca -0.17 -1.05 -0.12 0.00 -0.26 0.00 0.00 60.65 59.05 3kl2 s ILE 171 Cb -0.17 -1.75 0.02 0.00 1.25 0.00 0.00 42.46 41.81 3kl2 s ILE 171 CO 0.07 0.57 0.22 -0.69 0.24 0.00 0.00 174.94 175.35 3kl2 s VAL 172 N 0.02 4.81 -0.18 8.37 1.01 0.64 -0.85 120.40 134.23 3kl2 s VAL 172 Ca -0.09 -0.67 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 3kl2 s VAL 172 Cb -0.15 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 3kl2 s VAL 172 CO 0.06 -0.18 0.09 -0.76 0.00 0.00 0.00 175.10 174.31 3kl2 s LEU 173 N 1.61 3.99 0.24 3.92 1.43 -0.30 -0.73 118.68 128.84 3kl2 s LEU 173 Ca 0.04 0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 3kl2 s LEU 173 Cb -0.19 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 3kl2 s LEU 173 CO 0.08 0.20 0.15 -0.83 0.23 0.00 0.00 176.35 176.19 3kl2 s GLY 174 N 0.20 1.70 0.00 -3.19 0.00 -1.08 -1.17 107.32 103.77 3kl2 s GLY 174 Ca 0.06 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.99 3kl2 s GLY 174 CO -0.00 -1.46 0.00 0.61 0.00 0.00 0.00 173.10 172.25 3kl2 n GLY 175 N -0.39 0.32 3.20 0.20 0.00 -0.53 -0.47 105.19 107.52 3kl2 n GLY 175 Ca 0.03 -1.78 -0.22 0.00 0.00 0.00 0.00 46.02 44.04 3kl2 n GLY 175 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kl2 s PHE 176 N -1.48 1.48 0.07 1.61 0.08 -0.66 -2.26 117.98 116.82 3kl2 s PHE 176 Ca 0.00 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 56.70 3kl2 s PHE 176 Cb 0.00 -0.86 -0.04 0.00 -0.57 0.00 0.00 43.02 41.55 3kl2 s PHE 176 CO 0.00 0.08 0.08 -0.51 -0.10 0.00 0.00 175.22 174.77 3kl2 s LEU 177 N -1.29 3.82 0.20 -0.37 1.43 -1.26 -4.33 118.68 116.87 3kl2 s LEU 177 Ca 0.04 0.01 -0.21 0.00 -1.03 0.00 0.00 54.13 52.94 3kl2 s LEU 177 Cb -0.09 -2.48 0.14 0.00 0.03 0.00 0.00 46.19 43.79 3kl2 s LEU 177 CO 0.02 0.18 1.57 0.74 0.23 0.00 0.00 176.35 179.09 3kl2 h THR 178 N 2.60 0.08 -0.56 5.49 2.02 -1.07 0.03 112.91 121.50 3kl2 h THR 178 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3kl2 h THR 178 Cb 1.16 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3kl2 h THR 178 CO 0.66 0.00 0.00 -0.46 0.37 0.00 0.00 175.52 176.09 3kl2 n ASN 179 N -5.43 3.79 0.00 4.18 6.94 -1.26 -2.31 115.26 121.16 3kl2 n ASN 179 Ca 0.06 -2.25 0.00 0.00 -0.02 0.00 0.00 54.58 52.37 3kl2 n ASN 179 Cb 0.37 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.30 3kl2 n ASN 179 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kl2 h VAL 182 N 0.03 1.44 -0.50 0.00 2.07 -1.20 -1.85 116.25 116.24 3kl2 h VAL 182 Ca -0.03 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.89 3kl2 h VAL 182 Cb 1.58 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 33.65 3kl2 h VAL 182 CO 0.13 0.45 0.31 -0.33 0.02 0.00 0.00 177.57 178.15 3kl2 h GLU 183 N -0.27 0.66 -0.51 1.57 5.08 -1.45 -0.96 114.58 118.71 3kl2 h GLU 183 Ca -0.01 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 3kl2 h GLU 183 Cb 0.83 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 3kl2 h GLU 183 CO 0.04 0.47 0.00 0.77 -1.00 0.00 0.00 179.01 179.29 3kl2 h SER 184 N 0.67 0.87 -0.39 1.42 0.02 -1.24 -0.41 113.55 114.49 3kl2 h SER 184 Ca 0.18 -0.31 -0.07 0.00 -0.84 0.00 0.00 61.79 60.75 3kl2 h SER 184 Cb -0.04 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 3kl2 h SER 184 CO -0.04 0.97 -0.00 0.74 -1.14 0.00 0.00 176.83 177.36 3kl2 h THR 185 N 0.76 1.24 0.29 -2.27 2.02 -1.19 -1.31 112.91 112.44 3kl2 h THR 185 Ca 0.14 -0.99 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 3kl2 h THR 185 Cb 0.52 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3kl2 h THR 185 CO 0.03 0.35 -0.14 -0.03 0.37 0.00 0.00 175.52 176.10 3kl2 h MET 186 N 0.73 -0.37 0.07 6.66 -1.53 -0.92 -0.92 114.93 118.64 3kl2 h MET 186 Ca 0.14 0.03 0.02 0.00 -3.44 0.00 0.00 59.70 56.44 3kl2 h MET 186 Cb 0.44 0.08 -0.02 0.00 -0.55 0.00 0.00 31.60 31.55 3kl2 h MET 186 CO 0.02 -0.16 -0.16 0.00 0.14 0.00 0.00 176.91 176.75 3kl2 h ARG 187 N -0.51 -0.29 -0.50 0.39 3.08 -0.97 -0.80 114.38 114.78 3kl2 h ARG 187 Ca -0.04 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3kl2 h ARG 187 Cb 0.38 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 3kl2 h ARG 187 CO 0.06 -0.19 0.22 1.15 -1.07 0.00 0.00 179.97 180.14 3kl2 h THR 188 N -0.30 1.20 -0.74 2.04 2.02 -1.26 -2.51 112.91 113.37 3kl2 h THR 188 Ca 0.03 -0.61 0.16 0.00 0.77 0.00 0.00 66.41 66.76 3kl2 h THR 188 Cb 0.33 0.68 -0.13 0.00 -1.74 0.00 0.00 68.15 67.29 3kl2 h THR 188 CO -0.11 0.23 -0.04 1.23 0.37 0.00 0.00 175.52 177.21 3kl2 h GLY 189 N 0.66 0.76 0.66 2.16 0.00 -0.99 -0.28 103.07 106.04 3kl2 h GLY 189 Ca 0.17 0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.68 3kl2 h GLY 189 CO -0.02 -0.28 0.08 -1.82 0.00 0.00 0.00 176.54 174.50 3kl2 h TYR 190 N 0.07 0.13 -0.32 5.60 3.20 -0.92 -2.23 116.97 122.50 3kl2 h TYR 190 Ca 0.39 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.26 3kl2 h TYR 190 Cb 0.67 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 3kl2 h TYR 190 CO -0.46 0.04 0.09 0.93 -1.64 0.00 0.00 178.16 177.12 3kl2 h GLU 191 N 0.19 0.46 -0.34 1.82 4.39 -0.66 -1.53 114.58 118.91 3kl2 h GLU 191 Ca 0.15 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3kl2 h GLU 191 Cb 0.15 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3kl2 h GLU 191 CO -0.18 0.41 0.00 0.54 -1.16 0.00 0.00 179.01 178.62 3kl2 n ARG 192 N -4.37 1.87 -0.36 2.33 1.74 -0.55 -4.94 116.66 112.38 3kl2 n ARG 192 Ca 0.02 -1.34 0.00 0.00 -0.77 0.00 0.00 57.85 55.75 3kl2 n ARG 192 Cb 0.16 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 3kl2 n ARG 192 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kl2 n GLY 193 N 1.13 0.82 3.82 -0.13 0.00 -0.58 -5.06 105.19 105.19 3kl2 n GLY 193 Ca 0.14 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3kl2 n GLY 193 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kl2 s PHE 194 N -2.00 3.33 -0.44 1.61 0.08 -0.86 -5.00 117.98 114.70 3kl2 s PHE 194 Ca 0.00 1.59 -0.25 0.00 0.12 0.00 0.00 56.93 58.39 3kl2 s PHE 194 Cb 0.00 -2.84 0.02 0.00 -0.57 0.00 0.00 43.02 39.63 3kl2 s PHE 194 CO 0.00 -0.16 0.91 0.50 -0.10 0.00 0.00 175.22 176.37 3kl2 s ARG 195 N -3.31 3.58 -0.27 0.44 3.52 0.66 -4.51 118.95 119.07 3kl2 s ARG 195 Ca 0.62 0.21 -0.10 0.00 -0.13 0.00 0.00 55.73 56.32 3kl2 s ARG 195 Cb -0.09 -3.90 -0.05 0.00 -1.56 0.00 0.00 34.95 29.35 3kl2 s ARG 195 CO 0.16 -1.16 0.17 0.08 -0.81 0.00 0.00 175.30 173.74 3kl2 s VAL 196 N 3.65 5.18 -0.21 7.11 1.01 -1.26 -1.03 120.40 134.84 3kl2 s VAL 196 Ca 0.36 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.42 3kl2 s VAL 196 Cb -0.11 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 3kl2 s VAL 196 CO 0.24 0.28 0.00 -0.63 0.00 0.00 0.00 175.10 174.99 3kl2 s ILE 197 N 1.63 3.86 -0.20 2.22 1.01 -0.03 -0.05 121.20 129.64 3kl2 s ILE 197 Ca 0.07 -0.34 -0.07 0.00 0.00 0.00 0.00 60.65 60.31 3kl2 s ILE 197 Cb -0.16 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 3kl2 s ILE 197 CO 0.09 0.41 0.06 0.42 0.00 0.00 0.00 174.94 175.92 3kl2 s THR 198 N 1.24 4.56 -0.63 2.92 -4.23 -0.87 -1.14 115.64 117.49 3kl2 s THR 198 Ca 0.03 -0.11 -0.26 0.00 -1.18 0.00 0.00 61.69 60.18 3kl2 s THR 198 Cb -0.15 -3.08 0.04 0.00 1.34 0.00 0.00 72.50 70.66 3kl2 s THR 198 CO 0.01 0.42 1.12 -0.76 -0.54 0.00 0.00 174.62 174.86 3kl2 s LEU 199 N 0.80 3.68 0.51 4.79 1.43 -0.32 -2.05 118.68 127.53 3kl2 s LEU 199 Ca 0.03 -0.32 0.30 0.00 -1.03 0.00 0.00 54.13 53.11 3kl2 s LEU 199 Cb -0.14 -2.81 1.14 0.00 0.03 0.00 0.00 46.19 44.41 3kl2 s LEU 199 CO 0.02 -1.50 1.90 0.71 0.23 0.00 0.00 176.35 177.71 3kl2 h THR 200 N 6.06 0.15 -0.34 5.49 1.35 -1.32 -1.05 112.91 123.26 3kl2 h THR 200 Ca -0.27 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 3kl2 h THR 200 Cb 1.06 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 3kl2 h THR 200 CO 1.18 0.06 0.00 -0.90 -0.25 0.00 0.00 175.52 175.61 3kl2 n ASP 201 N -3.17 4.03 -0.94 5.36 5.75 -1.26 -4.37 116.55 121.95 3kl2 n ASP 201 Ca 0.01 -2.82 0.02 0.00 -0.01 0.00 0.00 54.79 51.98 3kl2 n ASP 201 Cb 0.36 -0.52 0.16 0.00 -1.03 0.00 0.00 41.12 40.09 3kl2 n ASP 201 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kl2 s VAL 203 N -2.98 0.47 0.08 0.00 -7.23 -1.23 -1.46 120.40 108.06 3kl2 s VAL 203 Ca 0.39 -1.95 -0.15 0.00 -1.81 0.00 0.00 61.98 58.47 3kl2 s VAL 203 Cb 0.38 -2.04 0.03 0.00 0.56 0.00 0.00 36.38 35.30 3kl2 s VAL 203 CO -0.07 -0.52 0.34 0.00 -0.31 0.00 0.00 175.10 174.54 3kl2 s ALA 204 N -3.79 -0.77 0.35 1.32 0.00 -0.96 -4.86 121.76 113.04 3kl2 s ALA 204 Ca 0.22 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.17 3kl2 s ALA 204 Cb 0.07 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.65 3kl2 s ALA 204 CO 0.02 -0.51 0.39 0.00 0.00 0.00 0.00 175.76 175.65 3kl2 s ALA 205 N -3.16 1.34 0.13 0.00 0.00 -1.26 -0.64 121.76 118.18 3kl2 s ALA 205 Ca -0.01 -1.82 -0.19 0.00 0.00 0.00 0.00 51.96 49.95 3kl2 s ALA 205 Cb 0.01 1.31 -0.04 0.00 0.00 0.00 0.00 23.12 24.40 3kl2 s ALA 205 CO -0.07 -0.73 1.78 1.79 0.00 0.00 0.00 175.76 178.52 3kl2 h THR 206 N 2.10 1.03 -2.03 0.00 1.35 -1.89 -3.39 112.91 110.09 3kl2 h THR 206 Ca -0.26 -0.10 -0.60 0.00 -0.55 0.00 0.00 66.41 64.89 3kl2 h THR 206 Cb 1.24 0.70 -0.13 0.00 -1.73 0.00 0.00 68.15 68.23 3kl2 h THR 206 CO 0.37 0.06 -0.68 -0.94 -0.25 0.00 0.00 175.52 174.07 3kl2 s SER 207 N -5.39 3.87 0.26 5.36 1.04 -1.26 -4.63 113.70 112.95 3kl2 s SER 207 Ca -0.13 -1.05 0.14 0.00 0.48 0.00 0.00 55.95 55.39 3kl2 s SER 207 Cb 0.09 -0.42 0.10 0.00 0.10 0.00 0.00 66.02 65.90 3kl2 s SER 207 CO 0.70 -0.13 1.46 -0.61 0.98 0.00 0.00 173.24 175.64 3kl2 h GLN 208 N 2.03 0.00 0.00 4.02 5.75 -1.96 -3.14 115.11 121.81 3kl2 h GLN 208 Ca -0.42 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 57.92 3kl2 h GLN 208 Cb 1.25 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.78 3kl2 h GLN 208 CO 0.66 0.58 -1.01 1.49 -2.65 0.00 0.00 178.83 177.90 3kl2 h GLU 209 N 0.00 0.00 0.05 1.69 4.57 -1.99 -1.77 114.58 117.14 3kl2 h GLU 209 Ca -0.01 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 57.94 3kl2 h GLU 209 Cb 1.39 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.97 3kl2 h GLU 209 CO 0.08 0.55 -1.06 0.93 -1.18 0.00 0.00 179.01 178.32 3kl2 h GLU 210 N 0.00 0.17 0.15 1.92 5.08 -1.98 -3.01 114.58 116.91 3kl2 h GLU 210 Ca -0.08 -0.25 -0.20 0.00 -1.00 0.00 0.00 59.36 57.82 3kl2 h GLU 210 Cb 1.60 0.09 0.02 0.00 0.50 0.00 0.00 28.75 30.96 3kl2 h GLU 210 CO 0.08 1.08 -0.91 1.25 -1.00 0.00 0.00 179.01 179.50 3kl2 h HIS 211 N 0.06 0.56 0.59 4.33 2.76 -1.58 -2.49 115.15 119.39 3kl2 h HIS 211 Ca -0.07 -0.41 -0.03 0.00 -2.20 0.00 0.00 60.37 57.66 3kl2 h HIS 211 Cb 1.78 -0.02 0.01 0.00 1.55 0.00 0.00 27.41 30.72 3kl2 h HIS 211 CO 0.04 1.35 -0.28 -0.91 -1.30 0.00 0.00 177.93 176.82 3kl2 h ASN 212 N -0.34 -0.67 0.20 3.26 2.35 -1.47 -1.72 115.58 117.19 3kl2 h ASN 212 Ca -0.17 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 3kl2 h ASN 212 Cb 1.69 0.17 0.00 0.00 0.05 0.00 0.00 38.32 40.23 3kl2 h ASN 212 CO 0.15 -0.35 0.00 0.59 -1.65 0.00 0.00 177.43 176.17 3kl2 n ASN 213 N -5.36 0.16 -0.06 5.81 3.02 -1.14 -1.00 115.26 116.69 3kl2 n ASN 213 Ca -0.12 0.56 -0.20 0.00 -0.03 0.00 0.00 54.58 54.79 3kl2 n ASN 213 Cb 0.35 -0.59 -0.13 0.00 -0.61 0.00 0.00 39.78 38.80 3kl2 n ASN 213 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kl2 n ALA 214 N -1.57 1.14 0.26 5.41 0.00 -0.94 -3.45 120.51 121.36 3kl2 n ALA 214 Ca 0.01 -0.83 0.11 0.00 0.00 0.00 0.00 53.44 52.73 3kl2 n ALA 214 Cb 0.07 -0.40 0.69 0.00 0.00 0.00 0.00 19.45 19.81 3kl2 n ALA 214 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3kl2 h ILE 215 N 0.01 0.66 0.05 0.00 2.04 -0.10 -0.59 117.51 119.59 3kl2 h ILE 215 Ca -0.50 -0.55 -0.38 0.00 1.00 0.00 0.00 64.86 64.43 3kl2 h ILE 215 Cb 1.96 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 39.33 3kl2 h ILE 215 CO -0.01 0.13 -2.22 -1.20 0.00 0.00 0.00 178.15 174.85 3kl2 n SER 216 N -3.75 2.03 -0.01 1.72 7.64 -0.28 -4.29 113.62 116.68 3kl2 n SER 216 Ca -0.02 0.07 -0.22 0.00 1.01 0.00 0.00 58.87 59.71 3kl2 n SER 216 Cb 0.24 -0.66 -0.14 0.00 -1.01 0.00 0.00 64.21 62.65 3kl2 n SER 216 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 3kl2 h TYR 217 N -0.11 0.41 0.01 1.43 0.05 -1.59 -3.44 116.97 113.72 3kl2 h TYR 217 Ca -0.51 -0.30 -0.35 0.00 0.05 0.00 0.00 58.73 57.62 3kl2 h TYR 217 Cb 1.90 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 39.57 3kl2 h TYR 217 CO 0.04 1.68 -1.91 -0.25 -1.05 0.00 0.00 178.16 176.67 3kl2 n ASP 218 N -3.75 1.94 -0.32 3.88 8.00 -0.27 -4.53 116.55 121.49 3kl2 n ASP 218 Ca -0.30 0.32 0.09 0.00 0.71 0.00 0.00 54.79 55.61 3kl2 n ASP 218 Cb 0.96 -0.86 0.31 0.00 -0.02 0.00 0.00 41.12 41.51 3kl2 n ASP 218 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3kl2 h PHE 219 N -0.80 0.99 0.00 1.24 0.05 -1.62 -1.17 116.94 115.63 3kl2 h PHE 219 Ca -0.51 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.31 3kl2 h PHE 219 Cb 1.55 -0.31 0.00 0.00 2.00 0.00 0.00 35.95 39.19 3kl2 h PHE 219 CO 0.02 0.38 0.00 -1.35 -0.18 0.00 0.00 178.31 177.18 3kl2 h PRO 220 N 0.85 0.00 -0.02 1.51 0.11 -1.80 0.74 132.00 133.39 3kl2 h PRO 220 Ca 0.47 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.45 3kl2 h PRO 220 Cb 0.60 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.69 3kl2 h PRO 220 CO -0.24 0.00 -0.59 0.52 -0.21 0.00 0.00 178.00 177.48 3kl2 h MET 221 N 0.00 0.08 0.00 1.05 2.86 -1.44 -3.36 114.93 114.11 3kl2 h MET 221 Ca 0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3kl2 h MET 221 Cb 0.43 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.09 3kl2 h MET 221 CO 0.00 0.64 0.00 1.19 1.06 0.00 0.00 176.91 179.80 3kl2 n PHE 222 N -3.85 0.00 -3.84 -0.22 3.72 -1.01 -5.08 117.46 107.17 3kl2 n PHE 222 Ca -0.02 -0.09 -0.08 0.00 -0.05 0.00 0.00 57.45 57.21 3kl2 n PHE 222 Cb 0.60 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 3kl2 n PHE 222 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3kl2 s SER 223 N -0.19 -0.06 -0.40 4.37 1.04 0.22 -4.55 113.70 114.13 3kl2 s SER 223 Ca 0.00 -0.96 -0.11 0.00 0.48 0.00 0.00 55.95 55.36 3kl2 s SER 223 Cb 0.00 0.79 0.05 0.00 0.10 0.00 0.00 66.02 66.96 3kl2 s SER 223 CO 0.00 -1.54 0.25 -0.69 0.98 0.00 0.00 173.24 172.24 3kl2 s VAL 224 N -2.96 4.55 -0.03 5.02 1.01 0.93 -4.46 120.40 124.46 3kl2 s VAL 224 Ca 0.15 -1.07 -0.26 0.00 0.00 0.00 0.00 61.98 60.80 3kl2 s VAL 224 Cb -0.05 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3kl2 s VAL 224 CO 0.10 -0.37 0.81 -2.84 0.00 0.00 0.00 175.10 172.80 3kl2 s PRO 225 N 1.52 4.49 0.26 2.72 0.02 -1.26 -2.06 135.00 140.70 3kl2 s PRO 225 Ca 0.02 1.10 0.01 0.00 0.02 0.00 0.00 61.00 62.16 3kl2 s PRO 225 Cb -0.21 -3.44 -0.05 0.00 0.02 0.00 0.00 34.50 30.82 3kl2 s PRO 225 CO 0.05 0.06 0.12 -1.64 -0.33 0.00 0.00 177.00 175.26 3kl2 s MET 226 N 0.75 1.43 0.36 5.54 -1.94 -0.87 -4.94 119.30 119.63 3kl2 s MET 226 Ca 0.43 -1.78 0.01 0.00 -1.71 0.00 0.00 55.69 52.63 3kl2 s MET 226 Cb -0.19 -0.12 -0.03 0.00 2.01 0.00 0.00 34.83 36.50 3kl2 s MET 226 CO 0.22 -0.36 0.56 0.95 -0.01 0.00 0.00 175.02 176.39 3kl2 s THR 227 N -3.78 4.86 0.34 2.05 -4.23 -1.26 -0.83 115.64 112.78 3kl2 s THR 227 Ca 0.37 -0.51 0.02 0.00 -1.18 0.00 0.00 61.69 60.40 3kl2 s THR 227 Cb 0.07 -3.77 0.22 0.00 1.34 0.00 0.00 72.50 70.36 3kl2 s THR 227 CO 0.15 -0.49 1.95 0.77 -0.54 0.00 0.00 174.62 176.45 3kl2 h SER 228 N 0.70 0.68 0.46 3.99 4.64 -1.93 -0.11 113.55 121.98 3kl2 h SER 228 Ca -0.49 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 60.76 3kl2 h SER 228 Cb 1.23 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 3kl2 h SER 228 CO 0.60 0.57 -0.51 0.00 -0.87 0.00 0.00 176.83 176.63 3kl2 h ALA 229 N 1.54 -1.14 -0.41 5.18 0.00 -1.95 0.28 119.26 122.75 3kl2 h ALA 229 Ca 0.19 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.00 3kl2 h ALA 229 Cb 0.07 0.75 -0.09 0.00 0.00 0.00 0.00 17.79 18.52 3kl2 h ALA 229 CO -0.03 -1.18 -0.20 -0.44 0.00 0.00 0.00 179.25 177.41 3kl2 h ASP 230 N -0.98 -0.68 -0.54 0.00 3.32 -1.87 0.16 116.42 115.84 3kl2 h ASP 230 Ca -0.06 0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 3kl2 h ASP 230 Cb 0.86 0.37 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 3kl2 h ASP 230 CO -0.09 -0.23 0.13 0.58 -1.72 0.00 0.00 179.24 177.92 3kl2 h VAL 231 N -0.12 1.24 -0.05 -1.35 2.07 -0.88 0.12 116.25 117.28 3kl2 h VAL 231 Ca 0.20 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 66.88 3kl2 h VAL 231 Cb 0.43 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3kl2 h VAL 231 CO -0.49 0.32 -0.20 0.40 0.02 0.00 0.00 177.57 177.62 3kl2 h ILE 232 N 0.77 0.51 -0.41 4.57 2.04 0.25 0.75 117.51 125.99 3kl2 h ILE 232 Ca 0.17 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.11 3kl2 h ILE 232 Cb 0.34 0.51 -0.09 0.00 -0.74 0.00 0.00 36.82 36.84 3kl2 h ILE 232 CO 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 178.15 177.80 3kl2 h ALA 233 N 0.64 -0.23 -0.65 1.87 0.00 -0.23 -1.00 119.26 119.66 3kl2 h ALA 233 Ca 0.07 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3kl2 h ALA 233 Cb 0.40 0.75 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3kl2 h ALA 233 CO -0.22 -0.75 0.43 0.00 0.00 0.00 0.00 179.25 178.70 3kl2 h ALA 234 N 0.70 1.56 0.00 0.00 0.00 -0.15 -3.52 119.26 117.85 3kl2 h ALA 234 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kl2 h ALA 234 Cb 0.55 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3kl2 h ALA 234 CO -0.55 0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.37