#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl1 n ASN 2 N 0.00 -2.60 -3.16 6.12 2.85 -1.26 -3.66 115.26 113.55 2kl1 n ASN 2 Ca 0.00 -0.77 -0.14 0.00 -0.11 0.00 0.00 54.58 53.56 2kl1 n ASN 2 Cb 0.00 -4.47 0.01 0.00 1.24 0.00 0.00 39.78 36.57 2kl1 n ASN 2 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2kl1 n GLU 3 N -4.07 -1.92 0.26 1.20 1.02 -1.26 -4.95 120.64 110.92 2kl1 n GLU 3 Ca -0.24 1.65 -0.10 0.00 -0.02 0.00 0.00 57.16 58.45 2kl1 n GLU 3 Cb 0.66 -4.55 -0.05 0.00 -0.02 0.00 0.00 31.44 27.48 2kl1 n GLU 3 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kl1 h ALA 4 N 1.53 -1.11 -5.13 0.62 0.00 -2.04 -3.49 119.26 109.65 2kl1 h ALA 4 Ca -0.19 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2kl1 h ALA 4 Cb 1.13 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2kl1 h ALA 4 CO 0.25 -1.06 -0.91 1.63 0.00 0.00 0.00 179.25 179.17 2kl1 n LYS 5 N -3.86 -3.30 0.00 0.00 5.02 -1.26 -5.04 118.16 109.72 2kl1 n LYS 5 Ca -0.08 2.67 0.00 0.00 -2.02 0.00 0.00 58.31 58.88 2kl1 n LYS 5 Cb 0.26 -5.40 0.00 0.00 -0.02 0.00 0.00 35.03 29.87 2kl1 n LYS 5 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kl1 n GLY 6 N 0.54 1.75 3.38 0.72 0.00 -1.26 -4.79 105.19 105.52 2kl1 n GLY 6 Ca 0.02 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 2kl1 n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kl1 s VAL 7 N 2.71 0.88 -0.01 1.61 -7.23 -1.26 -4.92 120.40 112.18 2kl1 s VAL 7 Ca 0.00 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 2kl1 s VAL 7 Cb 0.00 -2.68 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 2kl1 s VAL 7 CO 0.00 -0.03 -0.08 -0.31 -0.31 0.00 0.00 175.10 174.37 2kl1 s TYR 8 N -3.53 0.72 -0.04 2.82 1.51 -1.26 -2.83 117.35 114.74 2kl1 s TYR 8 Ca 0.37 -0.14 -0.30 0.00 -1.01 0.00 0.00 57.07 55.99 2kl1 s TYR 8 Cb 0.08 -0.47 -0.04 0.00 -0.11 0.00 0.00 41.96 41.43 2kl1 s TYR 8 CO 0.14 -0.02 1.24 0.08 -1.11 0.00 0.00 175.55 175.88 2kl1 s VAL 9 N -0.16 4.14 -0.07 0.71 1.01 -0.86 -4.96 120.40 120.21 2kl1 s VAL 9 Ca 0.03 1.48 -0.02 0.00 0.00 0.00 0.00 61.98 63.46 2kl1 s VAL 9 Cb -0.03 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 2kl1 s VAL 9 CO -0.00 0.01 -0.05 0.24 0.00 0.00 0.00 175.10 175.30 2kl1 h MET 10 N 7.47 0.00 -6.45 2.72 0.00 -1.97 -3.19 114.93 113.51 2kl1 h MET 10 Ca -0.35 0.00 -0.61 0.00 0.00 0.00 0.00 59.70 58.74 2kl1 h MET 10 Cb 1.17 0.00 -0.22 0.00 0.00 0.00 0.00 31.60 32.55 2kl1 h MET 10 CO 0.88 0.00 -0.84 -1.12 0.00 0.00 0.00 176.91 175.82 2kl1 s SER 11 N -4.59 2.84 -0.05 1.22 0.01 -1.26 -4.84 113.70 107.02 2kl1 s SER 11 Ca -0.04 -0.70 0.04 0.00 1.31 0.00 0.00 55.95 56.55 2kl1 s SER 11 Cb 0.01 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.06 2kl1 s SER 11 CO 0.06 0.11 -0.16 -0.69 0.41 0.00 0.00 173.24 172.97 2kl1 s VAL 12 N -1.11 1.37 0.19 3.43 1.01 -1.26 -4.71 120.40 119.32 2kl1 s VAL 12 Ca 0.09 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 2kl1 s VAL 12 Cb -0.10 -1.20 -0.06 0.00 0.00 0.00 0.00 36.38 35.02 2kl1 s VAL 12 CO 0.05 0.40 0.46 -0.76 0.00 0.00 0.00 175.10 175.25 2kl1 s LEU 13 N 0.24 4.21 0.34 3.92 1.02 -1.26 -5.01 118.68 122.13 2kl1 s LEU 13 Ca -0.08 0.72 0.15 0.00 0.02 0.00 0.00 54.13 54.94 2kl1 s LEU 13 Cb -0.13 -3.47 0.56 0.00 0.02 0.00 0.00 46.19 43.17 2kl1 s LEU 13 CO 0.03 -0.02 1.69 1.55 0.02 0.00 0.00 176.35 179.62 2kl1 h PRO 14 N 2.58 0.00 -0.84 1.29 0.13 -2.01 -3.27 132.00 129.90 2kl1 h PRO 14 Ca -0.46 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.07 2kl1 h PRO 14 Cb 1.17 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.92 2kl1 h PRO 14 CO 0.71 0.47 -0.19 0.09 -0.23 0.00 0.00 178.00 178.85 2kl1 n ASN 15 N -3.66 5.93 -4.67 1.44 5.03 -1.26 -4.89 115.26 113.19 2kl1 n ASN 15 Ca -0.01 -3.77 -0.23 0.00 0.87 0.00 0.00 54.58 51.45 2kl1 n ASN 15 Cb 0.54 -0.58 -0.07 0.00 -1.02 0.00 0.00 39.78 38.66 2kl1 n ASN 15 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 2kl1 s MET 16 N -3.68 2.29 0.42 3.52 -1.94 -1.23 -5.04 119.30 113.63 2kl1 s MET 16 Ca 0.56 -1.51 0.08 0.00 -1.71 0.00 0.00 55.69 53.11 2kl1 s MET 16 Cb 0.45 -2.13 0.88 0.00 2.01 0.00 0.00 34.83 36.04 2kl1 s MET 16 CO 0.02 0.25 2.06 -1.35 -0.01 0.00 0.00 175.02 175.98 2kl1 h PRO 17 N 1.76 0.48 0.00 2.03 0.11 -1.92 -2.20 132.00 132.26 2kl1 h PRO 17 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kl1 h PRO 17 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2kl1 h PRO 17 CO 0.62 0.34 -0.29 0.00 -0.21 0.00 0.00 178.00 178.46 2kl1 n ALA 18 N -2.48 2.85 -1.91 -0.75 0.00 -1.26 -4.80 120.51 112.17 2kl1 n ALA 18 Ca 0.02 -0.20 -0.41 0.00 0.00 0.00 0.00 53.44 52.85 2kl1 n ALA 18 Cb 0.07 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.21 2kl1 n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kl1 s ALA 19 N -3.05 3.59 0.00 0.00 0.00 -0.83 0.10 121.76 121.58 2kl1 s ALA 19 Ca 0.11 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.33 2kl1 s ALA 19 Cb 0.16 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2kl1 s ALA 19 CO 0.63 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 176.13 2kl1 n GLY 20 N 2.14 2.70 0.02 0.00 0.00 -1.26 -4.69 105.19 104.09 2kl1 n GLY 20 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 2kl1 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kl1 n ARG 21 N -2.00 2.18 -4.36 1.61 1.74 -0.88 -5.05 116.66 109.89 2kl1 n ARG 21 Ca 0.00 0.01 -0.25 0.00 -0.77 0.00 0.00 57.85 56.84 2kl1 n ARG 21 Cb 0.00 -1.08 -0.12 0.00 -1.02 0.00 0.00 32.46 30.24 2kl1 n ARG 21 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2kl1 s LEU 22 N -4.62 2.38 0.04 0.55 2.96 0.29 -5.06 118.68 115.22 2kl1 s LEU 22 Ca -0.03 -0.80 -0.00 0.00 -0.22 0.00 0.00 54.13 53.08 2kl1 s LEU 22 Cb 0.01 -1.02 -0.03 0.00 0.50 0.00 0.00 46.19 45.66 2kl1 s LEU 22 CO 0.12 0.07 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.58 2kl1 s GLU 23 N -2.40 0.47 0.34 1.98 0.41 -1.26 -4.57 118.70 113.66 2kl1 s GLU 23 Ca 0.15 -0.89 -0.29 0.00 -0.41 0.00 0.00 54.97 53.53 2kl1 s GLU 23 Cb -0.08 0.10 -0.12 0.00 -1.78 0.00 0.00 34.13 32.24 2kl1 s GLU 23 CO 0.07 -0.06 1.39 0.00 -0.49 0.00 0.00 175.26 176.16 2kl1 n ALA 24 N 0.93 1.71 0.00 5.21 0.00 -1.26 -2.40 120.51 124.70 2kl1 n ALA 24 Ca -0.19 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2kl1 n ALA 24 Cb 0.58 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2kl1 n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kl1 n GLY 25 N 0.95 1.70 3.77 0.00 0.00 -1.21 -5.03 105.19 105.38 2kl1 n GLY 25 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 2kl1 n GLY 25 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kl1 s ASP 26 N -0.08 5.78 0.25 1.61 -4.77 -1.01 -4.75 116.67 113.70 2kl1 s ASP 26 Ca 0.00 2.20 0.10 0.00 -3.30 0.00 0.00 52.55 51.55 2kl1 s ASP 26 Cb 0.00 -2.58 -0.04 0.00 -1.09 0.00 0.00 42.92 39.20 2kl1 s ASP 26 CO 0.00 -1.18 -0.08 0.00 0.70 0.00 0.00 175.17 174.61 2kl1 s ARG 27 N -3.21 2.06 -0.28 2.11 1.70 -1.25 -2.03 118.95 118.06 2kl1 s ARG 27 Ca 0.72 -1.49 -0.11 0.00 -0.47 0.00 0.00 55.73 54.38 2kl1 s ARG 27 Cb -0.25 -2.04 -0.05 0.00 -0.57 0.00 0.00 34.95 32.04 2kl1 s ARG 27 CO 0.28 0.37 0.19 0.42 -1.08 0.00 0.00 175.30 175.48 2kl1 s ILE 28 N -2.24 5.30 -0.15 4.99 -1.09 -1.13 -2.41 121.20 124.48 2kl1 s ILE 28 Ca 0.29 0.17 0.21 0.00 -2.23 0.00 0.00 60.65 59.09 2kl1 s ILE 28 Cb -0.06 -3.53 -0.15 0.00 -1.58 0.00 0.00 42.46 37.14 2kl1 s ILE 28 CO 0.17 0.25 0.76 0.00 -1.23 0.00 0.00 174.94 174.90 2kl1 n ALA 29 N 5.06 2.41 -3.61 9.38 0.00 -1.09 -4.12 120.51 128.54 2kl1 n ALA 29 Ca -0.14 -0.46 -0.02 0.00 0.00 0.00 0.00 53.44 52.82 2kl1 n ALA 29 Cb 0.52 -0.91 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 2kl1 n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kl1 s ALA 30 N -3.25 -2.18 -0.04 0.00 0.00 -1.22 -3.88 121.76 111.18 2kl1 s ALA 30 Ca -0.04 1.43 -0.00 0.00 0.00 0.00 0.00 51.96 53.35 2kl1 s ALA 30 Cb 0.10 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.19 2kl1 s ALA 30 CO 0.83 -0.72 -0.00 0.42 0.00 0.00 0.00 175.76 176.29 2kl1 s ILE 31 N -2.28 0.27 -0.15 0.00 1.01 -0.74 -0.27 121.20 119.03 2kl1 s ILE 31 Ca 0.12 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.85 2kl1 s ILE 31 Cb 0.01 -0.38 0.00 0.00 0.01 0.00 0.00 42.46 42.10 2kl1 s ILE 31 CO -0.04 0.19 0.00 -0.67 0.00 0.00 0.00 174.94 174.42 2kl1 n ASP 32 N 4.47 -3.28 0.00 3.58 2.03 0.30 0.82 116.55 124.46 2kl1 n ASP 32 Ca -0.19 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2kl1 n ASP 32 Cb 0.50 -2.25 0.00 0.00 -0.72 0.00 0.00 41.12 38.65 2kl1 n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kl1 n GLY 33 N 0.46 0.81 3.50 0.27 0.00 -1.26 -5.03 105.19 103.94 2kl1 n GLY 33 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2kl1 n GLY 33 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kl1 s GLN 34 N -0.45 3.21 0.29 1.61 -2.07 0.24 -5.06 119.66 117.44 2kl1 s GLN 34 Ca 0.00 -0.57 -0.30 0.00 -1.82 0.00 0.00 55.36 52.67 2kl1 s GLN 34 Cb 0.00 -3.94 -0.12 0.00 -1.09 0.00 0.00 33.01 27.86 2kl1 s GLN 34 CO 0.00 -0.88 1.49 -2.30 -1.32 0.00 0.00 175.29 172.29 2kl1 n PRO 35 N 5.82 2.44 -3.61 9.60 -0.02 -1.26 -1.79 135.00 146.18 2kl1 n PRO 35 Ca -0.05 0.87 -0.39 0.00 -2.02 0.00 0.00 63.50 61.90 2kl1 n PRO 35 Cb 0.48 -2.58 -0.11 0.00 -0.02 0.00 0.00 33.50 31.26 2kl1 n PRO 35 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kl1 s ILE 36 N -0.28 4.85 -0.01 4.25 -1.09 -1.25 -4.91 121.20 122.76 2kl1 s ILE 36 Ca 0.63 -0.34 0.08 0.00 -2.23 0.00 0.00 60.65 58.79 2kl1 s ILE 36 Cb -0.55 -3.47 -0.13 0.00 -1.58 0.00 0.00 42.46 36.73 2kl1 s ILE 36 CO 0.52 0.05 0.18 0.59 -1.23 0.00 0.00 174.94 175.05 2kl1 n ASN 37 N 5.02 3.11 -4.09 3.58 5.03 -1.26 -4.51 115.26 122.14 2kl1 n ASN 37 Ca -0.13 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.18 2kl1 n ASN 37 Cb 0.49 1.36 -0.11 0.00 -1.02 0.00 0.00 39.78 40.50 2kl1 n ASN 37 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2kl1 s THR 38 N -2.57 0.65 0.32 3.41 -4.23 -1.26 -4.91 115.64 107.05 2kl1 s THR 38 Ca -0.03 -1.22 0.12 0.00 -1.18 0.00 0.00 61.69 59.38 2kl1 s THR 38 Cb 0.05 -0.81 0.05 0.00 1.34 0.00 0.00 72.50 73.13 2kl1 s THR 38 CO 0.34 -0.42 1.74 0.77 -0.54 0.00 0.00 174.62 176.51 2kl1 h SER 39 N 4.27 0.00 0.26 3.99 4.64 -1.96 -2.57 113.55 122.18 2kl1 h SER 39 Ca -0.36 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.91 2kl1 h SER 39 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2kl1 h SER 39 CO 0.44 0.46 -0.24 -0.33 -0.87 0.00 0.00 176.83 176.29 2kl1 h GLU 40 N 0.00 0.00 0.00 4.77 4.39 -2.01 -1.81 114.58 119.93 2kl1 h GLU 40 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 2kl1 h GLU 40 Cb 0.83 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2kl1 h GLU 40 CO 0.06 0.24 -0.15 0.37 -1.16 0.00 0.00 179.01 178.37 2kl1 h GLN 41 N 0.00 0.00 0.00 2.33 4.15 -1.88 -1.51 115.11 118.20 2kl1 h GLN 41 Ca -0.00 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.28 2kl1 h GLN 41 Cb 0.43 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 2kl1 h GLN 41 CO 0.03 0.15 -0.64 0.82 -1.93 0.00 0.00 178.83 177.26 2kl1 h ILE 42 N 0.00 1.30 -0.28 2.39 1.08 -1.43 -2.45 117.51 118.11 2kl1 h ILE 42 Ca -0.00 -2.32 -0.16 0.00 -0.39 0.00 0.00 64.86 61.98 2kl1 h ILE 42 Cb 0.28 2.31 -0.00 0.00 -3.07 0.00 0.00 36.82 36.34 2kl1 h ILE 42 CO 0.02 0.63 -0.46 0.58 -0.69 0.00 0.00 178.15 178.22 2kl1 h VAL 43 N 0.00 1.29 -0.35 1.67 2.07 -1.24 -2.33 116.25 117.36 2kl1 h VAL 43 Ca -0.01 -1.65 -0.14 0.00 0.82 0.00 0.00 66.70 65.72 2kl1 h VAL 43 Cb 1.26 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 2kl1 h VAL 43 CO 0.08 0.54 -0.34 0.28 0.02 0.00 0.00 177.57 178.15 2kl1 h SER 44 N 0.58 0.90 0.43 0.57 0.02 -1.48 -2.53 113.55 112.05 2kl1 h SER 44 Ca 0.02 -0.46 -0.01 0.00 -0.84 0.00 0.00 61.79 60.50 2kl1 h SER 44 Cb 1.07 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 2kl1 h SER 44 CO 0.11 1.18 -0.33 0.22 -1.14 0.00 0.00 176.83 176.87 2kl1 h TYR 45 N 0.64 -0.87 -0.49 3.45 3.20 -1.41 -0.97 116.97 120.52 2kl1 h TYR 45 Ca 0.06 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.98 2kl1 h TYR 45 Cb 0.92 0.32 -0.03 0.00 1.54 0.00 0.00 36.73 39.49 2kl1 h TYR 45 CO 0.07 -0.48 0.33 -0.39 -1.64 0.00 0.00 178.16 176.04 2kl1 h VAL 46 N -0.75 0.98 -0.72 1.81 -1.51 -1.47 -1.28 116.25 113.31 2kl1 h VAL 46 Ca -0.04 -0.15 -0.07 0.00 -1.23 0.00 0.00 66.70 65.21 2kl1 h VAL 46 Cb 0.64 0.51 -0.03 0.00 -2.13 0.00 0.00 31.29 30.28 2kl1 h VAL 46 CO 0.00 0.08 0.20 -0.09 -1.23 0.00 0.00 177.57 176.53 2kl1 h ARG 47 N 0.44 1.15 -0.09 5.19 9.65 -0.93 -3.01 114.38 126.77 2kl1 h ARG 47 Ca 0.21 -0.26 0.02 0.00 -1.10 0.00 0.00 59.98 58.85 2kl1 h ARG 47 Cb 0.27 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.67 2kl1 h ARG 47 CO -0.05 0.99 -0.04 0.93 2.80 0.00 0.00 179.97 184.60 2kl1 h GLU 48 N 1.09 -0.03 -6.94 0.20 4.39 0.02 -3.42 114.58 109.89 2kl1 h GLU 48 Ca 0.23 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 59.47 2kl1 h GLU 48 Cb 0.35 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 2kl1 h GLU 48 CO -0.00 -0.02 0.27 0.15 -1.16 0.00 0.00 179.01 178.25 2kl1 s LYS 49 N -6.19 4.22 0.56 2.33 -0.14 -1.13 -5.08 119.74 114.30 2kl1 s LYS 49 Ca -0.13 1.03 0.08 0.00 -1.36 0.00 0.00 55.97 55.59 2kl1 s LYS 49 Cb 0.08 -2.34 0.08 0.00 -1.68 0.00 0.00 37.83 33.97 2kl1 s LYS 49 CO 0.67 0.07 0.69 0.00 -0.76 0.00 0.00 175.35 176.02 2kl1 n GLN 50 N -0.38 0.63 -2.05 1.68 10.64 -1.26 -4.87 117.38 121.78 2kl1 n GLN 50 Ca 0.05 -3.12 -0.41 0.00 -1.83 0.00 0.00 57.00 51.69 2kl1 n GLN 50 Cb 0.53 -0.09 -0.02 0.00 -0.86 0.00 0.00 30.24 29.80 2kl1 n GLN 50 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kl1 s ALA 51 N -2.70 3.60 0.00 2.61 0.00 -1.26 -2.29 121.76 121.71 2kl1 s ALA 51 Ca 0.52 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.78 2kl1 s ALA 51 Cb -0.04 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2kl1 s ALA 51 CO 0.33 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.80 2kl1 n GLY 52 N 2.00 0.64 3.86 0.00 0.00 -1.00 -5.04 105.19 105.66 2kl1 n GLY 52 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2kl1 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kl1 s ASP 53 N -2.99 3.93 -0.03 1.61 2.15 -0.97 -4.85 116.67 115.52 2kl1 s ASP 53 Ca 0.00 0.78 -0.01 0.00 0.43 0.00 0.00 52.55 53.75 2kl1 s ASP 53 Cb 0.00 -1.25 0.03 0.00 -0.30 0.00 0.00 42.92 41.40 2kl1 s ASP 53 CO 0.00 -2.27 0.04 -0.13 -0.17 0.00 0.00 175.17 172.64 2kl1 s ARG 54 N -5.51 0.05 -0.06 4.34 0.52 -1.26 -1.67 118.95 115.36 2kl1 s ARG 54 Ca 0.64 0.24 0.03 0.00 -0.52 0.00 0.00 55.73 56.13 2kl1 s ARG 54 Cb -0.11 -0.45 0.00 0.00 0.52 0.00 0.00 34.95 34.91 2kl1 s ARG 54 CO 0.51 -0.24 -0.15 0.14 0.02 0.00 0.00 175.30 175.58 2kl1 s VAL 55 N 1.57 1.32 -0.39 3.52 -7.23 -0.79 -5.02 120.40 113.38 2kl1 s VAL 55 Ca -0.02 -0.62 -0.28 0.00 -1.81 0.00 0.00 61.98 59.24 2kl1 s VAL 55 Cb -0.13 -1.17 0.02 0.00 0.56 0.00 0.00 36.38 35.67 2kl1 s VAL 55 CO -0.03 0.39 1.06 -0.13 -0.31 0.00 0.00 175.10 176.08 2kl1 s ARG 56 N 0.33 3.88 -0.15 4.82 1.81 -1.26 -2.98 118.95 125.39 2kl1 s ARG 56 Ca -0.09 0.75 -0.05 0.00 -1.72 0.00 0.00 55.73 54.62 2kl1 s ARG 56 Cb -0.14 -3.82 -0.03 0.00 -0.45 0.00 0.00 34.95 30.51 2kl1 s ARG 56 CO 0.03 -1.10 0.02 0.08 -0.68 0.00 0.00 175.30 173.66 2kl1 s VAL 57 N 3.91 4.43 -0.13 3.52 1.01 -0.44 0.11 120.40 132.81 2kl1 s VAL 57 Ca 0.45 -0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.18 2kl1 s VAL 57 Cb -0.10 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 2kl1 s VAL 57 CO 0.22 0.51 0.11 -0.89 0.00 0.00 0.00 175.10 175.06 2kl1 s THR 58 N 0.05 5.29 0.01 3.92 2.01 0.62 0.15 115.64 127.69 2kl1 s THR 58 Ca 0.03 0.13 -0.15 0.00 0.31 0.00 0.00 61.69 62.01 2kl1 s THR 58 Cb -0.13 -3.32 0.02 0.00 0.01 0.00 0.00 72.50 69.09 2kl1 s THR 58 CO 0.02 0.58 0.33 0.72 -0.69 0.00 0.00 174.62 175.57 2kl1 s PHE 59 N -0.69 -0.17 -0.10 4.92 -0.71 -0.72 -2.66 117.98 117.84 2kl1 s PHE 59 Ca 0.13 0.18 -0.03 0.00 -1.04 0.00 0.00 56.93 56.17 2kl1 s PHE 59 Cb -0.12 0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.77 2kl1 s PHE 59 CO 0.03 -0.45 0.01 0.42 -1.34 0.00 0.00 175.22 173.88 2kl1 s ILE 60 N -1.87 4.38 -0.08 -4.49 1.09 -1.01 -1.21 121.20 118.00 2kl1 s ILE 60 Ca -0.10 -0.22 -0.03 0.00 -1.10 0.00 0.00 60.65 59.20 2kl1 s ILE 60 Cb -0.03 -2.86 0.05 0.00 -1.06 0.00 0.00 42.46 38.56 2kl1 s ILE 60 CO 0.01 0.59 0.16 -0.60 -0.10 0.00 0.00 174.94 175.00 2kl1 s ARG 61 N -0.71 0.06 -1.53 2.79 3.52 -0.81 -3.84 118.95 118.43 2kl1 s ARG 61 Ca 0.11 0.51 -0.11 0.00 -0.13 0.00 0.00 55.73 56.11 2kl1 s ARG 61 Cb -0.12 -0.22 0.08 0.00 -1.56 0.00 0.00 34.95 33.13 2kl1 s ARG 61 CO 0.02 -0.25 0.80 -0.25 -0.81 0.00 0.00 175.30 174.81 2kl1 n ASP 62 N 4.91 -3.17 0.00 -2.12 8.00 -1.26 0.73 116.55 123.63 2kl1 n ASP 62 Ca -0.13 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.48 2kl1 n ASP 62 Cb 0.51 -3.44 0.00 0.00 -0.02 0.00 0.00 41.12 38.16 2kl1 n ASP 62 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kl1 n ARG 63 N -4.50 -1.24 -3.91 -1.24 1.74 -1.26 -4.96 116.66 101.29 2kl1 n ARG 63 Ca -0.05 0.31 -0.34 0.00 -0.77 0.00 0.00 57.85 57.00 2kl1 n ARG 63 Cb 0.56 -4.27 -0.13 0.00 -1.02 0.00 0.00 32.46 27.60 2kl1 n ARG 63 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2kl1 s LYS 64 N -1.27 2.20 0.25 5.56 1.02 0.22 -5.10 119.74 122.63 2kl1 s LYS 64 Ca 0.00 -1.47 -0.30 0.00 0.02 0.00 0.00 55.97 54.22 2kl1 s LYS 64 Cb 0.00 -3.25 -0.09 0.00 -0.52 0.00 0.00 37.83 33.97 2kl1 s LYS 64 CO 0.00 -0.76 1.12 1.14 -0.92 0.00 0.00 175.35 175.93 2kl1 s GLN 65 N 1.17 4.60 -0.08 1.68 1.03 -1.26 -1.92 119.66 124.89 2kl1 s GLN 65 Ca -0.01 1.81 -0.13 0.00 0.04 0.00 0.00 55.36 57.08 2kl1 s GLN 65 Cb -0.20 -3.21 0.03 0.00 0.03 0.00 0.00 33.01 29.65 2kl1 s GLN 65 CO -0.03 0.13 0.31 -1.01 -2.54 0.00 0.00 175.29 172.16 2kl1 s HIS 66 N -0.83 -0.28 0.01 9.60 0.09 -0.35 -4.97 115.29 118.55 2kl1 s HIS 66 Ca 0.47 0.60 -0.19 0.00 -0.00 0.00 0.00 55.06 55.94 2kl1 s HIS 66 Cb -0.32 0.11 -0.06 0.00 -0.00 0.00 0.00 32.58 32.31 2kl1 s HIS 66 CO 0.40 -0.26 0.56 -1.21 -0.00 0.00 0.00 174.74 174.22 2kl1 s GLU 67 N -0.47 4.25 -0.20 1.40 0.41 -1.26 -1.76 118.70 121.07 2kl1 s GLU 67 Ca -0.06 0.68 -0.03 0.00 -0.41 0.00 0.00 54.97 55.15 2kl1 s GLU 67 Cb -0.04 -3.31 -0.01 0.00 -1.78 0.00 0.00 34.13 29.00 2kl1 s GLU 67 CO 0.02 0.46 -0.06 0.00 -0.49 0.00 0.00 175.26 175.19 2kl1 s ALA 68 N -0.48 2.79 -0.65 5.21 0.00 0.40 -4.94 121.76 124.09 2kl1 s ALA 68 Ca 0.29 -1.09 -0.25 0.00 0.00 0.00 0.00 51.96 50.91 2kl1 s ALA 68 Cb -0.18 -1.60 0.05 0.00 0.00 0.00 0.00 23.12 21.39 2kl1 s ALA 68 CO 0.17 -0.26 1.08 -1.21 0.00 0.00 0.00 175.76 175.54 2kl1 s GLU 69 N 1.19 3.23 0.10 0.00 2.02 -1.26 -1.32 118.70 122.65 2kl1 s GLU 69 Ca 0.02 -0.40 0.07 0.00 0.02 0.00 0.00 54.97 54.67 2kl1 s GLU 69 Cb -0.14 -4.15 -0.04 0.00 0.10 0.00 0.00 34.13 29.90 2kl1 s GLU 69 CO -0.01 -1.82 -0.07 -0.51 0.02 0.00 0.00 175.26 172.86 2kl1 s LEU 70 N 4.64 3.16 -0.08 1.80 1.02 -1.16 -4.76 118.68 123.30 2kl1 s LEU 70 Ca 0.30 -0.34 0.04 0.00 0.02 0.00 0.00 54.13 54.16 2kl1 s LEU 70 Cb -0.12 -1.93 -0.00 0.00 0.02 0.00 0.00 46.19 44.16 2kl1 s LEU 70 CO 0.15 0.17 -0.21 0.54 0.02 0.00 0.00 176.35 177.02 2kl1 s VAL 71 N -1.26 1.82 0.14 -1.59 0.11 -1.26 -1.88 120.40 116.47 2kl1 s VAL 71 Ca 0.23 -0.90 -0.31 0.00 -2.93 0.00 0.00 61.98 58.07 2kl1 s VAL 71 Cb -0.11 -1.57 -0.09 0.00 -1.53 0.00 0.00 36.38 33.07 2kl1 s VAL 71 CO 0.15 0.51 1.53 -0.76 -3.33 0.00 0.00 175.10 173.20 2kl1 s LEU 72 N 0.25 4.37 -0.06 2.54 2.01 -0.67 -4.81 118.68 122.31 2kl1 s LEU 72 Ca -0.13 2.52 -0.03 0.00 0.01 0.00 0.00 54.13 56.51 2kl1 s LEU 72 Cb -0.16 -3.59 0.04 0.00 0.01 0.00 0.00 46.19 42.49 2kl1 s LEU 72 CO 0.06 -0.78 0.10 -0.54 1.01 0.00 0.00 176.35 176.20 2kl1 s LYS 73 N 1.28 -0.03 0.00 1.70 1.02 -1.26 -2.36 119.74 120.09 2kl1 s LYS 73 Ca 0.69 0.45 0.00 0.00 0.02 0.00 0.00 55.97 57.13 2kl1 s LYS 73 Cb -0.41 -0.44 0.00 0.00 -0.52 0.00 0.00 37.83 36.46 2kl1 s LYS 73 CO 0.31 -0.33 0.00 -0.35 -0.92 0.00 0.00 175.35 174.06 2kl1 n PRO 74 N 5.31 -0.59 -4.21 -1.68 -0.04 -1.26 -4.12 135.00 128.41 2kl1 n PRO 74 Ca -0.04 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.12 2kl1 n PRO 74 Cb 0.50 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.87 2kl1 n PRO 74 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2kl1 s PHE 75 N -0.95 2.88 0.45 0.54 0.40 -1.20 -4.99 117.98 115.11 2kl1 s PHE 75 Ca 0.00 -0.08 0.21 0.00 -0.60 0.00 0.00 56.93 56.46 2kl1 s PHE 75 Cb 0.00 -1.51 1.25 0.00 0.51 0.00 0.00 43.02 43.28 2kl1 s PHE 75 CO 0.00 0.45 2.05 -1.00 0.70 0.00 0.00 175.22 177.41 2kl1 h PRO 76 N 3.65 0.00 0.00 0.24 0.13 -1.98 0.25 132.00 134.29 2kl1 h PRO 76 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kl1 h PRO 76 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kl1 h PRO 76 CO 0.56 0.14 -0.38 0.72 -0.23 0.00 0.00 178.00 178.81 2kl1 n HIS 77 N -4.02 0.59 -3.00 1.56 8.25 -1.26 -4.36 115.22 112.98 2kl1 n HIS 77 Ca -0.02 0.17 -0.17 0.00 -0.26 0.00 0.00 57.72 57.44 2kl1 n HIS 77 Cb 0.23 -0.70 -0.02 0.00 1.12 0.00 0.00 29.99 30.62 2kl1 n HIS 77 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kl1 n HIS 78 N -2.07 -1.61 0.16 4.41 8.25 -0.52 -4.98 115.22 118.87 2kl1 n HIS 78 Ca 0.04 -2.81 0.05 0.00 -0.26 0.00 0.00 57.72 54.74 2kl1 n HIS 78 Cb 0.42 0.46 0.23 0.00 1.12 0.00 0.00 29.99 32.23 2kl1 n HIS 78 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2kl1 n PRO 79 N 1.46 0.05 -0.74 -0.41 -0.04 -0.04 -1.23 135.00 134.04 2kl1 n PRO 79 Ca 0.16 0.48 0.08 0.00 -0.04 0.00 0.00 63.50 64.18 2kl1 n PRO 79 Cb 0.58 -1.64 0.37 0.00 -0.04 0.00 0.00 33.50 32.77 2kl1 n PRO 79 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2kl1 n ASN 80 N -1.74 5.18 -3.87 3.54 5.03 -1.26 -4.83 115.26 117.32 2kl1 n ASN 80 Ca 0.00 -2.76 -0.20 0.00 0.87 0.00 0.00 54.58 52.50 2kl1 n ASN 80 Cb 0.06 -0.63 -0.16 0.00 -1.02 0.00 0.00 39.78 38.03 2kl1 n ASN 80 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2kl1 s GLN 81 N -2.42 0.76 0.26 3.52 -1.52 -0.37 -5.12 119.66 114.78 2kl1 s GLN 81 Ca 0.52 -0.06 0.08 0.00 -1.95 0.00 0.00 55.36 53.95 2kl1 s GLN 81 Cb 0.37 -0.83 -0.04 0.00 -0.22 0.00 0.00 33.01 32.29 2kl1 s GLN 81 CO 0.18 -0.12 0.09 0.96 -0.25 0.00 0.00 175.29 176.16 2kl1 s ILE 82 N 1.07 3.86 0.00 1.08 -0.00 -1.26 -3.46 121.20 122.49 2kl1 s ILE 82 Ca -0.09 -1.68 0.00 0.00 -0.00 0.00 0.00 60.65 58.89 2kl1 s ILE 82 Cb -0.14 -3.10 0.00 0.00 -0.00 0.00 0.00 42.46 39.23 2kl1 s ILE 82 CO -0.01 -0.35 0.00 0.61 -0.00 0.00 0.00 174.94 175.19 2kl1 n GLY 83 N -1.04 0.09 0.00 6.27 0.00 -1.26 -4.72 105.19 104.53 2kl1 n GLY 83 Ca -0.07 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2kl1 n GLY 83 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kl1 n LEU 84 N 0.00 0.36 0.00 0.99 7.94 -1.26 -4.88 117.00 120.15 2kl1 n LEU 84 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2kl1 n LEU 84 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2kl1 n LEU 84 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 2kl1 n GLY 85 N 2.68 0.25 3.66 -3.96 0.00 -1.26 -4.21 105.19 102.35 2kl1 n GLY 85 Ca 0.00 0.24 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 2kl1 n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kl1 s VAL 86 N 0.00 3.70 -2.00 1.61 1.01 -1.26 -4.95 120.40 118.51 2kl1 s VAL 86 Ca 0.00 -1.49 0.26 0.00 0.00 0.00 0.00 61.98 60.75 2kl1 s VAL 86 Cb 0.00 -2.88 0.73 0.00 0.00 0.00 0.00 36.38 34.24 2kl1 s VAL 86 CO 0.00 -0.15 1.90 0.41 0.00 0.00 0.00 175.10 177.26