#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 0.00 -3.29 6.12 2.85 -1.26 -5.07 115.26 114.61 2kl1 n ASN 2 Ca 0.00 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.31 2kl1 n ASN 2 Cb 0.00 0.14 0.08 0.00 1.24 0.00 0.00 39.78 41.24 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 -1.39 -3.79 0.23 1.20 1.02 -1.26 -4.97 120.64 111.68 2kl1 n GLU 3 Ca 0.00 0.85 -0.09 0.00 -0.02 0.00 0.00 57.16 57.90 2kl1 n GLU 3 Cb 0.00 -5.80 -0.05 0.00 -0.02 0.00 0.00 31.44 25.57 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 0.27 -0.83 0.00 0.62 0.00 -1.97 -3.44 119.26 113.91 2kl1 h ALA 4 Ca -0.60 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.16 2kl1 h ALA 4 Cb 1.32 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 2kl1 h ALA 4 CO 0.46 -0.78 -1.06 1.63 0.00 0.00 0.00 179.25 179.49 2kl1 n LYS 5 N -4.31 0.03 0.00 0.00 5.02 -1.26 -5.08 118.16 112.56 2kl1 n LYS 5 Ca -0.08 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 2kl1 n LYS 5 Cb 0.24 -0.83 0.00 0.00 -0.02 0.00 0.00 35.03 34.42 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 3.25 1.30 3.13 0.72 0.00 -1.26 -4.87 105.19 107.45 2kl1 n GLY 6 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 2kl1 n GLY 6 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kl1 s VAL 7 N 2.27 0.51 -0.02 1.61 1.01 -1.26 -4.77 120.40 119.75 2kl1 s VAL 7 Ca 0.00 -1.80 0.04 0.00 0.00 0.00 0.00 61.98 60.22 2kl1 s VAL 7 Cb 0.00 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.87 2kl1 s VAL 7 CO 0.00 -0.87 -0.14 -0.31 0.00 0.00 0.00 175.10 173.79 2kl1 s TYR 8 N -3.49 1.30 -0.04 5.22 1.51 -1.26 -2.75 117.35 117.83 2kl1 s TYR 8 Ca 0.08 -0.31 -0.30 0.00 -1.01 0.00 0.00 57.07 55.53 2kl1 s TYR 8 Cb 0.05 -0.87 -0.02 0.00 -0.11 0.00 0.00 41.96 41.00 2kl1 s TYR 8 CO -0.06 -0.09 1.03 0.08 -1.11 0.00 0.00 175.55 175.40 2kl1 s VAL 9 N -0.07 4.72 -0.03 0.71 1.01 -0.46 -4.96 120.40 121.33 2kl1 s VAL 9 Ca 0.00 1.97 -0.04 0.00 0.00 0.00 0.00 61.98 63.91 2kl1 s VAL 9 Cb -0.08 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 2kl1 s VAL 9 CO 0.01 0.08 0.29 0.24 0.00 0.00 0.00 175.10 175.72 2kl1 h MET 10 N 6.98 -0.14 -5.32 2.72 0.00 -1.91 -2.59 114.93 114.67 2kl1 h MET 10 Ca -0.36 0.01 -0.40 0.00 0.00 0.00 0.00 59.70 58.95 2kl1 h MET 10 Cb 1.18 0.03 -0.14 0.00 0.00 0.00 0.00 31.60 32.67 2kl1 h MET 10 CO 0.81 -0.09 -0.71 0.45 0.00 0.00 0.00 176.91 177.36 2kl1 s SER 11 N -3.87 2.20 -0.02 1.22 0.15 -1.26 -4.54 113.70 107.59 2kl1 s SER 11 Ca -0.02 -1.05 0.04 0.00 0.70 0.00 0.00 55.95 55.63 2kl1 s SER 11 Cb 0.00 -0.07 -0.01 0.00 -1.71 0.00 0.00 66.02 64.23 2kl1 s SER 11 CO 0.06 -0.28 -0.15 0.54 1.20 0.00 0.00 173.24 174.61 2kl1 s VAL 12 N -3.16 1.22 0.01 4.45 0.11 -1.26 -4.62 120.40 117.15 2kl1 s VAL 12 Ca 0.21 -0.64 0.03 0.00 -2.93 0.00 0.00 61.98 58.65 2kl1 s VAL 12 Cb 0.01 -1.02 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 2kl1 s VAL 12 CO 0.05 0.35 -0.04 -0.76 -3.33 0.00 0.00 175.10 171.36 2kl1 s LEU 13 N -0.25 3.29 0.42 2.54 1.02 -1.26 -4.96 118.68 119.48 2kl1 s LEU 13 Ca 0.04 -0.12 0.23 0.00 0.02 0.00 0.00 54.13 54.29 2kl1 s LEU 13 Cb -0.07 -1.91 0.83 0.00 0.02 0.00 0.00 46.19 45.06 2kl1 s LEU 13 CO -0.00 0.27 1.79 1.55 0.02 0.00 0.00 176.35 179.98 2kl1 h PRO 14 N 4.32 0.00 -0.62 1.29 0.13 -1.97 -3.00 132.00 132.14 2kl1 h PRO 14 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kl1 h PRO 14 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kl1 h PRO 14 CO 0.55 0.26 0.00 0.09 -0.23 0.00 0.00 178.00 178.67 2kl1 n ASN 15 N -3.40 5.20 -4.63 1.44 3.02 -1.26 -4.75 115.26 110.87 2kl1 n ASN 15 Ca 0.00 -2.71 -0.24 0.00 -0.03 0.00 0.00 54.58 51.60 2kl1 n ASN 15 Cb 0.46 -0.64 -0.08 0.00 -0.61 0.00 0.00 39.78 38.91 2kl1 n ASN 15 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2kl1 s MET 16 N -2.35 2.25 0.48 3.52 -1.94 -1.13 -5.03 119.30 115.10 2kl1 s MET 16 Ca 0.51 -1.37 0.24 0.00 -1.71 0.00 0.00 55.69 53.36 2kl1 s MET 16 Cb 0.37 -2.17 1.28 0.00 2.01 0.00 0.00 34.83 36.32 2kl1 s MET 16 CO 0.19 0.38 1.91 -1.35 -0.01 0.00 0.00 175.02 176.14 2kl1 h PRO 17 N 2.15 0.18 0.00 2.03 0.11 -1.88 0.11 132.00 134.69 2kl1 h PRO 17 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2kl1 h PRO 17 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kl1 h PRO 17 CO 0.59 0.12 0.00 0.00 -0.21 0.00 0.00 178.00 178.50 2kl1 n ALA 18 N -2.61 2.00 -1.75 -0.75 0.00 -1.26 -4.57 120.51 111.56 2kl1 n ALA 18 Ca 0.16 -0.08 -0.43 0.00 0.00 0.00 0.00 53.44 53.09 2kl1 n ALA 18 Cb 0.74 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 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 -2.88 2.74 0.00 0.00 0.00 0.37 0.81 121.76 122.80 2kl1 s ALA 19 Ca 0.13 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.65 2kl1 s ALA 19 Cb 0.14 -4.06 0.00 0.00 0.00 0.00 0.00 23.12 19.20 2kl1 s ALA 19 CO 0.36 -2.79 0.00 0.41 0.00 0.00 0.00 175.76 173.74 2kl1 n GLY 20 N 5.65 2.04 0.14 0.00 0.00 -1.26 -4.81 105.19 106.95 2kl1 n GLY 20 Ca 0.27 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 0.38 -4.32 1.61 1.74 -0.17 -5.05 116.66 108.86 2kl1 n ARG 21 Ca 0.00 0.10 -0.20 0.00 -0.77 0.00 0.00 57.85 56.98 2kl1 n ARG 21 Cb 0.00 -1.27 -0.11 0.00 -1.02 0.00 0.00 32.46 30.06 2kl1 n ARG 21 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2kl1 s LEU 22 N -6.07 2.47 0.06 0.55 1.43 0.24 -4.80 118.68 112.57 2kl1 s LEU 22 Ca -0.21 -0.91 -0.06 0.00 -1.03 0.00 0.00 54.13 51.92 2kl1 s LEU 22 Cb 0.06 -0.72 -0.01 0.00 0.03 0.00 0.00 46.19 45.55 2kl1 s LEU 22 CO 0.35 -0.11 0.11 -1.61 0.23 0.00 0.00 176.35 175.32 2kl1 s GLU 23 N -3.08 0.70 0.26 1.70 2.02 -1.26 -4.48 118.70 114.56 2kl1 s GLU 23 Ca 0.17 -0.94 -0.30 0.00 0.02 0.00 0.00 54.97 53.92 2kl1 s GLU 23 Cb -0.04 0.27 -0.11 0.00 0.10 0.00 0.00 34.13 34.36 2kl1 s GLU 23 CO 0.06 -0.19 1.51 0.00 0.02 0.00 0.00 175.26 176.66 2kl1 s ALA 24 N -3.41 3.69 0.00 5.21 0.00 -1.26 -2.30 121.76 123.68 2kl1 s ALA 24 Ca 0.02 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.41 2kl1 s ALA 24 Cb 0.03 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2kl1 s ALA 24 CO -0.08 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.24 2kl1 n GLY 25 N 2.27 2.36 3.79 0.00 0.00 -0.98 -5.04 105.19 107.59 2kl1 n GLY 25 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2kl1 n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kl1 s ASP 26 N -0.40 6.01 0.18 1.61 1.01 -0.97 -4.72 116.67 119.38 2kl1 s ASP 26 Ca 0.00 2.01 0.09 0.00 0.71 0.00 0.00 52.55 55.36 2kl1 s ASP 26 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 2kl1 s ASP 26 CO 0.00 -1.02 -0.10 0.00 0.21 0.00 0.00 175.17 174.27 2kl1 s ARG 27 N -3.37 2.04 -0.27 8.23 1.70 -1.25 -1.35 118.95 124.68 2kl1 s ARG 27 Ca 0.69 -1.28 -0.13 0.00 -0.47 0.00 0.00 55.73 54.53 2kl1 s ARG 27 Cb -0.19 -2.15 -0.04 0.00 -0.57 0.00 0.00 34.95 32.00 2kl1 s ARG 27 CO 0.25 0.43 0.30 0.42 -1.08 0.00 0.00 175.30 175.62 2kl1 s ILE 28 N -1.72 5.23 -0.13 4.99 -1.09 -1.11 -2.14 121.20 125.23 2kl1 s ILE 28 Ca 0.25 0.42 0.22 0.00 -2.23 0.00 0.00 60.65 59.30 2kl1 s ILE 28 Cb -0.09 -3.63 -0.18 0.00 -1.58 0.00 0.00 42.46 36.98 2kl1 s ILE 28 CO 0.15 0.20 0.73 0.00 -1.23 0.00 0.00 174.94 174.79 2kl1 n ALA 29 N 5.20 2.62 -3.60 9.38 0.00 -1.02 -4.25 120.51 128.83 2kl1 n ALA 29 Ca -0.11 -0.41 -0.04 0.00 0.00 0.00 0.00 53.44 52.88 2kl1 n ALA 29 Cb 0.51 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 19.04 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 -3.40 -2.08 -0.05 0.00 0.00 -1.23 -3.86 121.76 111.14 2kl1 s ALA 30 Ca -0.05 1.65 -0.00 0.00 0.00 0.00 0.00 51.96 53.56 2kl1 s ALA 30 Cb 0.12 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.98 2kl1 s ALA 30 CO 0.85 -0.55 -0.01 0.42 0.00 0.00 0.00 175.76 176.47 2kl1 s ILE 31 N -2.21 0.37 -1.21 0.00 1.01 0.81 -0.34 121.20 119.63 2kl1 s ILE 31 Ca 0.09 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.79 2kl1 s ILE 31 Cb -0.01 -0.48 0.00 0.00 0.01 0.00 0.00 42.46 41.98 2kl1 s ILE 31 CO -0.04 0.22 0.00 -0.67 0.00 0.00 0.00 174.94 174.45 2kl1 n ASP 32 N 4.60 -3.22 0.00 3.58 2.03 0.53 0.12 116.55 124.20 2kl1 n ASP 32 Ca -0.17 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.42 2kl1 n ASP 32 Cb 0.50 -3.00 0.00 0.00 -0.72 0.00 0.00 41.12 37.90 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 -0.32 0.17 3.67 0.27 0.00 -1.26 -5.01 105.19 102.71 2kl1 n GLY 33 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 2kl1 n GLY 33 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kl1 s GLN 34 N -0.97 4.24 0.11 1.61 -1.52 0.33 -5.05 119.66 118.41 2kl1 s GLN 34 Ca 0.00 0.56 -0.30 0.00 -1.95 0.00 0.00 55.36 53.67 2kl1 s GLN 34 Cb 0.00 -3.55 -0.06 0.00 -0.22 0.00 0.00 33.01 29.18 2kl1 s GLN 34 CO 0.00 -0.15 1.13 -1.25 -0.25 0.00 0.00 175.29 174.77 2kl1 s PRO 35 N 1.61 4.52 -0.40 2.91 0.04 -1.26 -0.13 135.00 142.29 2kl1 s PRO 35 Ca 0.28 1.71 -0.15 0.00 0.04 0.00 0.00 61.00 62.88 2kl1 s PRO 35 Cb -0.16 -3.32 0.01 0.00 0.04 0.00 0.00 34.50 31.07 2kl1 s PRO 35 CO 0.11 -0.08 0.33 0.42 0.04 0.00 0.00 177.00 177.82 2kl1 s ILE 36 N 0.43 5.22 -0.05 0.56 -1.09 -1.25 -4.87 121.20 120.16 2kl1 s ILE 36 Ca 0.54 -0.50 0.05 0.00 -2.23 0.00 0.00 60.65 58.50 2kl1 s ILE 36 Cb -0.29 -3.92 -0.07 0.00 -1.58 0.00 0.00 42.46 36.60 2kl1 s ILE 36 CO 0.32 -0.29 0.12 -0.46 -1.23 0.00 0.00 174.94 173.40 2kl1 n ASN 37 N 5.26 3.22 -4.06 3.58 0.23 -1.26 -4.66 115.26 117.58 2kl1 n ASN 37 Ca -0.10 -0.11 -0.08 0.00 -0.53 0.00 0.00 54.58 53.75 2kl1 n ASN 37 Cb 0.48 1.18 -0.10 0.00 -2.08 0.00 0.00 39.78 39.25 2kl1 n ASN 37 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2kl1 s THR 38 N -2.18 0.25 0.34 5.53 -1.32 -1.26 -4.91 115.64 112.08 2kl1 s THR 38 Ca -0.01 -1.47 0.32 0.00 -1.21 0.00 0.00 61.69 59.31 2kl1 s THR 38 Cb 0.03 -1.05 0.34 0.00 -1.51 0.00 0.00 72.50 70.31 2kl1 s THR 38 CO 0.20 -0.78 2.07 0.28 -2.21 0.00 0.00 174.62 174.18 2kl1 h SER 39 N 3.72 0.00 -0.06 8.08 0.02 -1.96 -2.13 113.55 121.21 2kl1 h SER 39 Ca -0.34 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.50 2kl1 h SER 39 Cb 1.17 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 2kl1 h SER 39 CO 0.56 0.08 -0.32 -0.33 -1.14 0.00 0.00 176.83 175.68 2kl1 h GLU 40 N 0.00 0.54 -0.41 3.45 4.39 -2.00 -2.65 114.58 117.89 2kl1 h GLU 40 Ca -0.00 -0.23 0.08 0.00 0.34 0.00 0.00 59.36 59.55 2kl1 h GLU 40 Cb 0.38 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 2kl1 h GLU 40 CO 0.01 0.79 0.28 0.37 -1.16 0.00 0.00 179.01 179.31 2kl1 h GLN 41 N 0.46 0.19 0.00 2.33 5.75 -1.79 0.16 115.11 122.21 2kl1 h GLN 41 Ca 0.06 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.44 2kl1 h GLN 41 Cb 0.78 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.27 2kl1 h GLN 41 CO 0.06 0.13 -0.51 0.82 -2.65 0.00 0.00 178.83 176.69 2kl1 h ILE 42 N 0.20 1.05 -0.34 2.39 1.08 -1.58 -2.92 117.51 117.40 2kl1 h ILE 42 Ca 0.19 -1.97 -0.13 0.00 -0.39 0.00 0.00 64.86 62.56 2kl1 h ILE 42 Cb 0.49 2.17 -0.01 0.00 -3.07 0.00 0.00 36.82 36.41 2kl1 h ILE 42 CO -0.03 0.50 -0.30 0.58 -0.69 0.00 0.00 178.15 178.20 2kl1 h VAL 43 N 0.00 1.29 -0.62 1.67 2.07 -0.64 -2.48 116.25 117.55 2kl1 h VAL 43 Ca -0.01 -1.46 -0.08 0.00 0.82 0.00 0.00 66.70 65.97 2kl1 h VAL 43 Cb 1.13 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 2kl1 h VAL 43 CO 0.07 0.48 0.06 -1.28 0.02 0.00 0.00 177.57 176.91 2kl1 h SER 44 N 0.57 1.01 0.57 0.57 0.87 -1.42 -1.99 113.55 113.74 2kl1 h SER 44 Ca 0.06 -0.28 -0.02 0.00 -1.23 0.00 0.00 61.79 60.32 2kl1 h SER 44 Cb 0.87 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 2kl1 h SER 44 CO 0.08 1.04 -0.36 0.22 -0.53 0.00 0.00 176.83 177.27 2kl1 h TYR 45 N 0.95 -0.96 -0.99 2.24 3.20 -1.43 0.46 116.97 120.44 2kl1 h TYR 45 Ca 0.18 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.08 2kl1 h TYR 45 Cb 0.49 0.35 -0.06 0.00 1.54 0.00 0.00 36.73 39.04 2kl1 h TYR 45 CO 0.04 -0.55 0.65 -0.39 -1.64 0.00 0.00 178.16 176.26 2kl1 h VAL 46 N -0.89 1.16 -0.48 1.81 -1.51 -1.44 -1.16 116.25 113.74 2kl1 h VAL 46 Ca -0.07 -0.43 -0.09 0.00 -1.23 0.00 0.00 66.70 64.89 2kl1 h VAL 46 Cb 0.73 -0.19 -0.02 0.00 -2.13 0.00 0.00 31.29 29.68 2kl1 h VAL 46 CO 0.06 0.23 -0.06 0.03 -1.23 0.00 0.00 177.57 176.60 2kl1 h ARG 47 N 1.24 0.83 0.34 5.19 3.08 -1.05 -3.16 114.38 120.86 2kl1 h ARG 47 Ca 0.40 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 2kl1 h ARG 47 Cb 0.02 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.00 2kl1 h ARG 47 CO -0.13 0.87 -0.16 1.49 -1.07 0.00 0.00 179.97 180.97 2kl1 h GLU 48 N 0.76 -0.44 -6.84 0.04 4.81 0.11 -3.44 114.58 109.58 2kl1 h GLU 48 Ca 0.14 0.03 -0.50 0.00 -0.13 0.00 0.00 59.36 58.90 2kl1 h GLU 48 Cb 0.54 0.10 0.02 0.00 0.63 0.00 0.00 28.75 30.04 2kl1 h GLU 48 CO 0.03 -0.21 0.09 0.15 -0.73 0.00 0.00 179.01 178.34 2kl1 s LYS 49 N -5.54 3.66 0.46 1.92 -0.14 -0.58 -5.10 119.74 114.42 2kl1 s LYS 49 Ca -0.15 0.30 0.03 0.00 -1.36 0.00 0.00 55.97 54.79 2kl1 s LYS 49 Cb 0.04 -2.41 0.03 0.00 -1.68 0.00 0.00 37.83 33.80 2kl1 s LYS 49 CO 0.61 -0.08 0.26 0.00 -0.76 0.00 0.00 175.35 175.37 2kl1 n GLN 50 N -1.67 0.84 -2.01 1.68 10.64 -1.26 -4.77 117.38 120.84 2kl1 n GLN 50 Ca 0.01 -2.96 -0.41 0.00 -1.83 0.00 0.00 57.00 51.81 2kl1 n GLN 50 Cb 0.54 0.44 -0.02 0.00 -0.86 0.00 0.00 30.24 30.35 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 -2.69 3.61 0.00 2.61 0.00 -1.26 -2.13 121.76 121.91 2kl1 s ALA 51 Ca 0.20 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.49 2kl1 s ALA 51 Cb -0.02 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2kl1 s ALA 51 CO 0.12 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.55 2kl1 n GLY 52 N 1.93 0.78 3.76 0.00 0.00 -0.77 -5.02 105.19 105.89 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 -2.97 2.98 -0.04 1.61 2.15 -0.90 -4.82 116.67 114.67 2kl1 s ASP 53 Ca 0.00 0.86 -0.01 0.00 0.43 0.00 0.00 52.55 53.82 2kl1 s ASP 53 Cb 0.00 -1.33 0.03 0.00 -0.30 0.00 0.00 42.92 41.32 2kl1 s ASP 53 CO 0.00 -2.87 0.09 -0.13 -0.17 0.00 0.00 175.17 172.09 2kl1 s ARG 54 N -5.33 0.03 -0.02 4.34 0.52 -1.26 -2.02 118.95 115.20 2kl1 s ARG 54 Ca 0.66 0.28 0.00 0.00 -0.52 0.00 0.00 55.73 56.16 2kl1 s ARG 54 Cb -0.13 -0.21 0.02 0.00 0.52 0.00 0.00 34.95 35.14 2kl1 s ARG 54 CO 0.54 -0.17 0.00 0.14 0.02 0.00 0.00 175.30 175.83 2kl1 s VAL 55 N 1.12 0.10 -0.48 3.52 -7.23 -0.88 -5.04 120.40 111.52 2kl1 s VAL 55 Ca -0.09 0.06 -0.28 0.00 -1.81 0.00 0.00 61.98 59.86 2kl1 s VAL 55 Cb -0.12 -0.17 0.01 0.00 0.56 0.00 0.00 36.38 36.65 2kl1 s VAL 55 CO -0.04 0.09 1.44 -0.13 -0.31 0.00 0.00 175.10 176.15 2kl1 s ARG 56 N 0.65 3.41 -0.09 4.82 3.00 -1.26 -2.98 118.95 126.49 2kl1 s ARG 56 Ca -0.06 0.72 -0.11 0.00 0.00 0.00 0.00 55.73 56.28 2kl1 s ARG 56 Cb -0.09 -4.09 -0.05 0.00 0.00 0.00 0.00 34.95 30.72 2kl1 s ARG 56 CO -0.01 -1.79 0.26 0.08 0.00 0.00 0.00 175.30 173.83 2kl1 s VAL 57 N 5.91 5.30 -0.10 3.52 1.01 -0.19 -0.34 120.40 135.51 2kl1 s VAL 57 Ca 0.58 0.48 -0.04 0.00 0.00 0.00 0.00 61.98 63.01 2kl1 s VAL 57 Cb -0.13 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2kl1 s VAL 57 CO 0.29 0.55 0.04 -0.89 0.00 0.00 0.00 175.10 175.09 2kl1 s THR 58 N -0.65 4.65 0.01 3.92 2.01 0.54 0.18 115.64 126.31 2kl1 s THR 58 Ca 0.18 -0.11 -0.15 0.00 0.31 0.00 0.00 61.69 61.91 2kl1 s THR 58 Cb -0.14 -2.99 0.02 0.00 0.01 0.00 0.00 72.50 69.41 2kl1 s THR 58 CO 0.07 0.60 0.33 0.72 -0.69 0.00 0.00 174.62 175.64 2kl1 s PHE 59 N -0.83 -0.18 -0.14 4.92 -0.71 -0.77 -2.44 117.98 117.83 2kl1 s PHE 59 Ca 0.13 0.20 -0.04 0.00 -1.04 0.00 0.00 56.93 56.18 2kl1 s PHE 59 Cb -0.12 0.12 -0.03 0.00 -1.21 0.00 0.00 43.02 41.78 2kl1 s PHE 59 CO 0.03 -0.45 -0.02 0.42 -1.34 0.00 0.00 175.22 173.86 2kl1 s ILE 60 N -1.79 4.04 -0.04 -4.49 1.09 -0.91 -1.36 121.20 117.74 2kl1 s ILE 60 Ca -0.10 -0.31 -0.01 0.00 -1.10 0.00 0.00 60.65 59.13 2kl1 s ILE 60 Cb -0.03 -2.76 0.03 0.00 -1.06 0.00 0.00 42.46 38.64 2kl1 s ILE 60 CO 0.02 0.51 0.03 -0.60 -0.10 0.00 0.00 174.94 174.80 2kl1 s ARG 61 N 0.10 0.16 -1.54 2.79 3.52 -0.82 -3.76 118.95 119.40 2kl1 s ARG 61 Ca 0.00 0.22 -0.10 0.00 -0.13 0.00 0.00 55.73 55.72 2kl1 s ARG 61 Cb -0.13 -0.55 0.08 0.00 -1.56 0.00 0.00 34.95 32.79 2kl1 s ARG 61 CO 0.02 -0.25 0.73 -0.25 -0.81 0.00 0.00 175.30 174.75 2kl1 n ASP 62 N 4.78 -2.67 0.00 -2.12 8.00 -1.26 0.98 116.55 124.26 2kl1 n ASP 62 Ca -0.14 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.43 2kl1 n ASP 62 Cb 0.50 -3.26 0.00 0.00 -0.02 0.00 0.00 41.12 38.34 2kl1 n ASP 62 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2kl1 n ARG 63 N -4.46 0.00 -3.64 -1.24 1.85 -1.26 -4.95 116.66 102.96 2kl1 n ARG 63 Ca -0.08 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.38 2kl1 n ARG 63 Cb 0.57 -3.35 -0.11 0.00 -1.05 0.00 0.00 32.46 28.52 2kl1 n ARG 63 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2kl1 s LYS 64 N -0.41 2.59 0.37 2.89 1.02 0.27 -5.08 119.74 121.39 2kl1 s LYS 64 Ca 0.00 -1.39 -0.25 0.00 0.02 0.00 0.00 55.97 54.35 2kl1 s LYS 64 Cb 0.00 -3.70 -0.09 0.00 -0.52 0.00 0.00 37.83 33.51 2kl1 s LYS 64 CO 0.00 -0.88 1.02 1.14 -0.92 0.00 0.00 175.35 175.71 2kl1 s GLN 65 N 1.42 4.33 -0.09 1.68 1.03 -1.26 -1.94 119.66 124.81 2kl1 s GLN 65 Ca 0.02 1.46 -0.20 0.00 0.04 0.00 0.00 55.36 56.68 2kl1 s GLN 65 Cb -0.22 -2.64 0.04 0.00 0.03 0.00 0.00 33.01 30.22 2kl1 s GLN 65 CO 0.02 0.01 0.48 -1.01 -2.54 0.00 0.00 175.29 172.25 2kl1 s HIS 66 N -1.64 -0.45 -0.06 9.60 3.76 -0.46 -4.97 115.29 121.08 2kl1 s HIS 66 Ca 0.55 0.90 -0.21 0.00 -0.15 0.00 0.00 55.06 56.15 2kl1 s HIS 66 Cb -0.21 0.21 -0.05 0.00 1.11 0.00 0.00 32.58 33.65 2kl1 s HIS 66 CO 0.27 -0.40 0.59 -1.21 -0.85 0.00 0.00 174.74 173.14 2kl1 s GLU 67 N -0.67 4.35 -0.18 1.40 2.02 -1.26 -1.84 118.70 122.52 2kl1 s GLU 67 Ca -0.08 0.69 -0.03 0.00 0.02 0.00 0.00 54.97 55.57 2kl1 s GLU 67 Cb -0.03 -3.40 -0.01 0.00 0.10 0.00 0.00 34.13 30.79 2kl1 s GLU 67 CO 0.04 0.22 -0.07 0.00 0.02 0.00 0.00 175.26 175.48 2kl1 s ALA 68 N 0.33 2.80 -0.69 5.21 0.00 0.49 -4.92 121.76 124.98 2kl1 s ALA 68 Ca 0.31 -1.02 -0.27 0.00 0.00 0.00 0.00 51.96 50.98 2kl1 s ALA 68 Cb -0.17 -1.54 0.03 0.00 0.00 0.00 0.00 23.12 21.43 2kl1 s ALA 68 CO 0.15 -0.12 1.25 -1.21 0.00 0.00 0.00 175.76 175.83 2kl1 s GLU 69 N 0.96 3.29 -0.02 0.00 8.01 -1.26 -1.02 118.70 128.66 2kl1 s GLU 69 Ca -0.01 -0.09 0.02 0.00 0.01 0.00 0.00 54.97 54.90 2kl1 s GLU 69 Cb -0.15 -4.13 -0.03 0.00 -4.31 0.00 0.00 34.13 25.51 2kl1 s GLU 69 CO 0.00 -2.00 -0.04 -1.17 0.01 0.00 0.00 175.26 172.07 2kl1 s LEU 70 N 5.48 3.33 -0.10 1.80 0.20 -1.16 -4.73 118.68 123.50 2kl1 s LEU 70 Ca 0.37 -0.04 0.03 0.00 0.69 0.00 0.00 54.13 55.18 2kl1 s LEU 70 Cb -0.08 -1.85 -0.01 0.00 -0.43 0.00 0.00 46.19 43.82 2kl1 s LEU 70 CO 0.18 0.31 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.66 2kl1 s VAL 71 N -0.97 2.45 0.18 1.68 1.01 -1.26 -2.07 120.40 121.41 2kl1 s VAL 71 Ca 0.16 -0.89 -0.31 0.00 0.00 0.00 0.00 61.98 60.95 2kl1 s VAL 71 Cb -0.11 -1.97 -0.10 0.00 0.00 0.00 0.00 36.38 34.21 2kl1 s VAL 71 CO 0.06 0.55 1.49 -0.76 0.00 0.00 0.00 175.10 176.44 2kl1 s LEU 72 N 0.24 4.38 -0.08 3.92 2.01 -0.86 -4.85 118.68 123.45 2kl1 s LEU 72 Ca -0.13 2.57 -0.05 0.00 0.01 0.00 0.00 54.13 56.52 2kl1 s LEU 72 Cb -0.16 -3.60 0.03 0.00 0.01 0.00 0.00 46.19 42.46 2kl1 s LEU 72 CO 0.07 -0.75 0.19 -1.59 1.01 0.00 0.00 176.35 175.28 2kl1 s LYS 73 N 0.65 0.18 0.98 1.70 -2.85 -1.23 -1.84 119.74 117.34 2kl1 s LYS 73 Ca 0.65 0.35 -0.14 0.00 -1.00 0.00 0.00 55.97 55.84 2kl1 s LYS 73 Cb -0.42 -0.02 0.18 0.00 -2.06 0.00 0.00 37.83 35.51 2kl1 s LYS 73 CO 0.35 -0.09 1.14 -1.25 0.10 0.00 0.00 175.35 175.59 2kl1 s PRO 74 N 0.64 0.58 -0.09 1.78 0.04 -1.26 -3.49 135.00 133.19 2kl1 s PRO 74 Ca -0.04 0.22 -0.01 0.00 0.04 0.00 0.00 61.00 61.21 2kl1 s PRO 74 Cb -0.06 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 2kl1 s PRO 74 CO -0.03 -2.57 -0.05 -0.06 0.04 0.00 0.00 177.00 174.33 2kl1 s PHE 75 N -3.23 3.00 0.32 0.56 0.08 -1.19 -4.95 117.98 112.58 2kl1 s PHE 75 Ca 0.66 -0.03 0.09 0.00 0.12 0.00 0.00 56.93 57.77 2kl1 s PHE 75 Cb -0.14 -1.79 0.88 0.00 -0.57 0.00 0.00 43.02 41.40 2kl1 s PHE 75 CO 0.55 0.26 1.73 -1.35 -0.10 0.00 0.00 175.22 176.31 2kl1 h PRO 76 N 5.62 0.57 -0.14 0.24 0.11 -1.97 0.71 132.00 137.14 2kl1 h PRO 76 Ca -0.44 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 65.42 2kl1 h PRO 76 Cb 1.18 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 32.17 2kl1 h PRO 76 CO 0.55 0.38 -0.77 0.45 -0.21 0.00 0.00 178.00 178.41 2kl1 h HIS 77 N 0.59 0.98 -2.23 0.65 3.86 -2.01 -3.36 115.15 113.63 2kl1 h HIS 77 Ca 0.64 -0.43 -0.61 0.00 -1.16 0.00 0.00 60.37 58.81 2kl1 h HIS 77 Cb 1.20 -0.15 -0.41 0.00 1.06 0.00 0.00 27.41 29.11 2kl1 h HIS 77 CO -0.01 1.25 -0.52 0.72 0.86 0.00 0.00 177.93 180.24 2kl1 n HIS 78 N -3.92 3.59 0.24 2.45 8.25 0.07 -4.91 115.22 120.99 2kl1 n HIS 78 Ca -0.07 -4.08 0.07 0.00 -0.26 0.00 0.00 57.72 53.38 2kl1 n HIS 78 Cb 0.74 -0.60 0.57 0.00 1.12 0.00 0.00 29.99 31.82 2kl1 n HIS 78 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2kl1 h PRO 79 N 4.24 0.00 -0.94 -0.41 0.13 -1.23 -1.84 132.00 131.94 2kl1 h PRO 79 Ca 0.20 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.23 2kl1 h PRO 79 Cb 0.66 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.73 2kl1 h PRO 79 CO 0.87 0.12 0.13 0.09 -0.23 0.00 0.00 178.00 178.98 2kl1 n ASN 80 N -4.33 2.98 -3.88 1.44 3.02 -1.26 -4.76 115.26 108.47 2kl1 n ASN 80 Ca -0.03 -2.44 -0.11 0.00 -0.03 0.00 0.00 54.58 51.97 2kl1 n ASN 80 Cb 0.20 -0.59 -0.10 0.00 -0.61 0.00 0.00 39.78 38.67 2kl1 n ASN 80 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2kl1 s GLN 81 N -1.30 0.47 -0.02 3.52 0.74 -0.70 -5.14 119.66 117.23 2kl1 s GLN 81 Ca 0.19 -0.40 0.06 0.00 0.05 0.00 0.00 55.36 55.25 2kl1 s GLN 81 Cb 0.15 0.19 -0.01 0.00 1.10 0.00 0.00 33.01 34.44 2kl1 s GLN 81 CO 0.04 -0.11 -0.20 0.42 -0.55 0.00 0.00 175.29 174.89 2kl1 s ILE 82 N -1.37 1.63 0.34 -2.34 -1.09 -1.26 -3.76 121.20 113.36 2kl1 s ILE 82 Ca -0.15 -0.87 -0.06 0.00 -2.23 0.00 0.00 60.65 57.34 2kl1 s ILE 82 Cb -0.08 -1.36 0.02 0.00 -1.58 0.00 0.00 42.46 39.47 2kl1 s ILE 82 CO 0.01 0.46 0.56 0.61 -1.23 0.00 0.00 174.94 175.35 2kl1 n GLY 83 N 2.68 1.76 0.00 6.18 0.00 -1.23 -4.78 105.19 109.81 2kl1 n GLY 83 Ca -0.16 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.40 2kl1 n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kl1 n LEU 84 N 0.00 0.11 0.00 0.99 4.32 -1.26 -3.53 117.00 117.63 2kl1 n LEU 84 Ca -0.03 0.02 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2kl1 n LEU 84 Cb 0.55 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.35 2kl1 n LEU 84 CO 0.27 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.05 2kl1 n GLY 85 N 1.26 0.00 3.87 -0.72 0.00 -1.26 -4.51 105.19 103.82 2kl1 n GLY 85 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2kl1 n GLY 85 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kl1 s VAL 86 N 0.00 2.44 -2.40 1.61 -7.23 -1.26 -4.87 120.40 108.69 2kl1 s VAL 86 Ca 0.00 -1.40 0.29 0.00 -1.81 0.00 0.00 61.98 59.05 2kl1 s VAL 86 Cb 0.00 -2.85 0.62 0.00 0.56 0.00 0.00 36.38 34.71 2kl1 s VAL 86 CO 0.00 0.00 1.84 0.41 -0.31 0.00 0.00 175.10 177.04