#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 -2.83 -4.57 3.17 3.02 -1.26 -4.69 115.26 108.10 2kl1 n ASN 2 Ca 0.00 1.29 -0.28 0.00 -0.03 0.00 0.00 54.58 55.56 2kl1 n ASN 2 Cb 0.00 -4.22 -0.05 0.00 -0.61 0.00 0.00 39.78 34.90 2kl1 n ASN 2 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2kl1 s GLU 3 N -0.47 2.56 0.42 3.52 -1.05 -1.26 -4.79 118.70 117.63 2kl1 s GLU 3 Ca -0.19 -0.63 0.00 0.00 -0.15 0.00 0.00 54.97 54.00 2kl1 s GLU 3 Cb 0.01 -5.14 0.00 0.00 -0.44 0.00 0.00 34.13 28.57 2kl1 s GLU 3 CO 0.51 -3.56 0.00 0.00 0.95 0.00 0.00 175.26 173.16 2kl1 n ALA 4 N 13.99 -3.11 -0.84 -0.84 0.00 -1.26 -4.91 120.51 123.54 2kl1 n ALA 4 Ca 0.42 0.63 0.00 0.00 0.00 0.00 0.00 53.44 54.48 2kl1 n ALA 4 Cb 0.47 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2kl1 n ALA 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kl1 n LYS 5 N -3.88 0.00 0.00 0.00 5.02 -1.26 -5.01 118.16 113.03 2kl1 n LYS 5 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2kl1 n LYS 5 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 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 0.00 0.71 3.72 0.72 0.00 -1.26 -5.04 105.19 104.04 2kl1 n GLY 6 Ca 0.00 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.15 5.31 -0.06 1.61 1.01 -1.26 -5.08 120.40 120.77 2kl1 s VAL 7 Ca 0.00 0.52 0.03 0.00 0.00 0.00 0.00 61.98 62.53 2kl1 s VAL 7 Cb 0.00 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.76 2kl1 s VAL 7 CO 0.00 0.37 -0.15 -0.31 0.00 0.00 0.00 175.10 175.01 2kl1 s TYR 8 N 0.60 1.64 1.03 5.22 1.51 -1.26 -3.40 117.35 122.70 2kl1 s TYR 8 Ca 0.16 -0.56 -0.24 0.00 -1.01 0.00 0.00 57.07 55.42 2kl1 s TYR 8 Cb -0.13 -1.15 -0.08 0.00 -0.11 0.00 0.00 41.96 40.49 2kl1 s TYR 8 CO 0.04 -0.24 -0.93 0.28 -1.11 0.00 0.00 175.55 173.58 2kl1 n VAL 9 N 3.52 0.00 -0.04 0.71 0.31 -1.01 -4.99 118.33 116.83 2kl1 n VAL 9 Ca -0.21 -0.11 -0.03 0.00 -0.01 0.00 0.00 64.34 63.99 2kl1 n VAL 9 Cb 0.52 -0.22 -0.01 0.00 -0.91 0.00 0.00 33.84 33.22 2kl1 n VAL 9 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2kl1 n MET 10 N 0.77 0.23 -3.93 5.55 1.56 -1.20 -4.82 117.12 115.28 2kl1 n MET 10 Ca -0.01 0.24 -0.10 0.00 -0.27 0.00 0.00 57.70 57.56 2kl1 n MET 10 Cb 0.68 -1.07 -0.02 0.00 2.15 0.00 0.00 33.22 34.96 2kl1 n MET 10 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 2kl1 s SER 11 N -4.73 0.08 -0.35 6.12 0.01 -1.26 -4.96 113.70 108.61 2kl1 s SER 11 Ca -0.10 -1.01 0.02 0.00 1.31 0.00 0.00 55.95 56.16 2kl1 s SER 11 Cb 0.01 0.70 0.10 0.00 0.21 0.00 0.00 66.02 67.05 2kl1 s SER 11 CO 0.15 -1.36 0.08 -0.69 0.41 0.00 0.00 173.24 171.83 2kl1 s VAL 12 N -3.37 2.56 -0.31 3.43 1.01 -1.26 -4.26 120.40 118.20 2kl1 s VAL 12 Ca 0.19 -2.21 -0.12 0.00 0.00 0.00 0.00 61.98 59.84 2kl1 s VAL 12 Cb -0.03 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 2kl1 s VAL 12 CO 0.11 -0.58 0.22 -0.76 0.00 0.00 0.00 175.10 174.09 2kl1 s LEU 13 N 0.98 4.24 0.00 3.92 1.02 -1.26 -4.97 118.68 122.62 2kl1 s LEU 13 Ca 0.09 -0.18 0.00 0.00 0.02 0.00 0.00 54.13 54.05 2kl1 s LEU 13 Cb -0.20 -2.14 0.00 0.00 0.02 0.00 0.00 46.19 43.87 2kl1 s LEU 13 CO -0.07 -0.14 0.39 -2.65 0.02 0.00 0.00 176.35 173.91 2kl1 n PRO 14 N 5.09 0.00 0.00 1.29 -0.02 -1.26 -0.88 135.00 139.22 2kl1 n PRO 14 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 2kl1 n PRO 14 Cb 0.51 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 2kl1 n PRO 14 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2kl1 n ASN 15 N 2.70 0.00 -4.75 2.55 5.15 -1.26 -5.13 115.26 114.52 2kl1 n ASN 15 Ca 0.00 -0.44 -0.26 0.00 -0.60 0.00 0.00 54.58 53.28 2kl1 n ASN 15 Cb 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 2kl1 n ASN 15 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2kl1 s MET 16 N 0.00 2.70 0.62 1.20 -1.94 -0.06 -5.02 119.30 116.79 2kl1 s MET 16 Ca 0.00 -1.00 0.34 0.00 -1.71 0.00 0.00 55.69 53.32 2kl1 s MET 16 Cb 0.00 -2.51 2.01 0.00 2.01 0.00 0.00 34.83 36.34 2kl1 s MET 16 CO 0.00 0.46 2.29 -1.00 -0.01 0.00 0.00 175.02 176.75 2kl1 h PRO 17 N 2.38 0.00 0.00 2.03 0.13 -1.92 -1.14 132.00 133.49 2kl1 h PRO 17 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kl1 h PRO 17 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kl1 h PRO 17 CO 0.61 0.00 -0.55 0.00 -0.23 0.00 0.00 178.00 177.83 2kl1 n ALA 18 N -2.25 3.08 -1.62 -0.56 0.00 -1.26 -4.75 120.51 113.16 2kl1 n ALA 18 Ca -0.03 -0.27 -0.43 0.00 0.00 0.00 0.00 53.44 52.71 2kl1 n ALA 18 Cb 0.09 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 2kl1 n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kl1 n ALA 19 N -1.70 1.68 0.00 0.00 0.00 -0.43 0.47 120.51 120.52 2kl1 n ALA 19 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2kl1 n ALA 19 Cb 0.40 -2.82 0.00 0.00 0.00 0.00 0.00 19.45 17.03 2kl1 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kl1 n GLY 20 N 5.33 0.83 0.04 0.00 0.00 -1.26 -4.83 105.19 105.30 2kl1 n GLY 20 Ca 0.27 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.23 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 1.11 -4.33 1.61 1.74 0.78 -5.04 116.66 110.54 2kl1 n ARG 21 Ca 0.00 0.03 -0.26 0.00 -0.77 0.00 0.00 57.85 56.86 2kl1 n ARG 21 Cb 0.00 -1.17 -0.13 0.00 -1.02 0.00 0.00 32.46 30.14 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 -5.17 2.30 0.04 0.55 2.01 0.17 -4.91 118.68 113.68 2kl1 s LEU 22 Ca -0.09 -0.71 -0.00 0.00 0.01 0.00 0.00 54.13 53.34 2kl1 s LEU 22 Cb 0.03 -1.00 -0.03 0.00 0.01 0.00 0.00 46.19 45.19 2kl1 s LEU 22 CO 0.23 0.10 -0.03 -1.61 1.01 0.00 0.00 176.35 176.05 2kl1 s GLU 23 N -1.95 0.48 0.23 1.70 0.41 -1.26 -4.62 118.70 113.69 2kl1 s GLU 23 Ca 0.09 -0.93 -0.31 0.00 -0.41 0.00 0.00 54.97 53.41 2kl1 s GLU 23 Cb -0.10 0.12 -0.11 0.00 -1.78 0.00 0.00 34.13 32.26 2kl1 s GLU 23 CO 0.05 -0.07 1.64 0.00 -0.49 0.00 0.00 175.26 176.39 2kl1 s ALA 24 N -2.69 3.83 0.00 5.21 0.00 -1.26 -2.06 121.76 124.79 2kl1 s ALA 24 Ca -0.04 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.46 2kl1 s ALA 24 Cb -0.01 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2kl1 s ALA 24 CO -0.05 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.21 2kl1 n GLY 25 N 3.25 2.02 3.83 0.00 0.00 -1.26 -5.07 105.19 107.96 2kl1 n GLY 25 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.84 6.62 0.31 1.61 1.01 -0.88 -4.93 116.67 119.58 2kl1 s ASP 26 Ca 0.00 1.64 0.08 0.00 0.71 0.00 0.00 52.55 54.97 2kl1 s ASP 26 Cb 0.00 -2.52 -0.06 0.00 1.01 0.00 0.00 42.92 41.35 2kl1 s ASP 26 CO 0.00 -0.59 -0.07 0.00 0.21 0.00 0.00 175.17 174.73 2kl1 s ARG 27 N -3.81 1.68 -0.26 8.23 1.70 -1.25 -2.41 118.95 122.83 2kl1 s ARG 27 Ca 0.60 -1.86 -0.11 0.00 -0.47 0.00 0.00 55.73 53.89 2kl1 s ARG 27 Cb -0.10 -1.39 -0.05 0.00 -0.57 0.00 0.00 34.95 32.84 2kl1 s ARG 27 CO 0.27 0.07 0.20 0.42 -1.08 0.00 0.00 175.30 175.17 2kl1 s ILE 28 N -2.85 5.32 -0.09 4.99 -1.09 -1.22 -2.34 121.20 123.92 2kl1 s ILE 28 Ca 0.31 0.23 0.21 0.00 -2.23 0.00 0.00 60.65 59.17 2kl1 s ILE 28 Cb 0.04 -3.54 -0.29 0.00 -1.58 0.00 0.00 42.46 37.09 2kl1 s ILE 28 CO 0.14 0.29 0.44 0.00 -1.23 0.00 0.00 174.94 174.58 2kl1 n ALA 29 N 4.68 2.44 -3.57 9.38 0.00 -1.10 -4.74 120.51 127.61 2kl1 n ALA 29 Ca -0.14 -0.69 -0.06 0.00 0.00 0.00 0.00 53.44 52.55 2kl1 n ALA 29 Cb 0.52 -0.65 -0.02 0.00 0.00 0.00 0.00 19.45 19.30 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 -3.24 -1.99 -0.06 0.00 0.00 -1.23 -3.62 121.76 111.62 2kl1 s ALA 30 Ca -0.08 1.42 -0.01 0.00 0.00 0.00 0.00 51.96 53.30 2kl1 s ALA 30 Cb 0.12 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.23 2kl1 s ALA 30 CO 0.88 -0.59 0.01 0.42 0.00 0.00 0.00 175.76 176.47 2kl1 s ILE 31 N -2.51 0.26 -1.20 0.00 1.01 0.93 -0.18 121.20 119.51 2kl1 s ILE 31 Ca 0.07 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.88 2kl1 s ILE 31 Cb -0.01 -0.42 0.00 0.00 0.01 0.00 0.00 42.46 42.04 2kl1 s ILE 31 CO -0.06 0.22 0.00 -0.67 0.00 0.00 0.00 174.94 174.44 2kl1 n ASP 32 N 4.92 -3.41 0.00 3.58 2.03 0.23 0.12 116.55 124.02 2kl1 n ASP 32 Ca -0.11 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.47 2kl1 n ASP 32 Cb 0.50 -3.11 0.00 0.00 -0.72 0.00 0.00 41.12 37.80 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 -0.42 0.17 3.65 0.27 0.00 -1.26 -5.02 105.19 102.57 2kl1 n GLY 33 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.00 4.17 0.13 1.61 -1.52 0.32 -5.05 119.66 118.32 2kl1 s GLN 34 Ca 0.00 0.54 -0.30 0.00 -1.95 0.00 0.00 55.36 53.65 2kl1 s GLN 34 Cb 0.00 -3.60 -0.07 0.00 -0.22 0.00 0.00 33.01 29.12 2kl1 s GLN 34 CO 0.00 -0.28 1.16 -1.25 -0.25 0.00 0.00 175.29 174.67 2kl1 s PRO 35 N 2.07 4.50 -0.39 2.91 0.04 -1.26 -0.05 135.00 142.82 2kl1 s PRO 35 Ca 0.26 1.78 -0.14 0.00 0.04 0.00 0.00 61.00 62.94 2kl1 s PRO 35 Cb -0.16 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.10 2kl1 s PRO 35 CO 0.10 -0.10 0.28 0.42 0.04 0.00 0.00 177.00 177.74 2kl1 s ILE 36 N 0.32 5.24 -0.16 0.56 -1.09 -1.24 -4.88 121.20 119.95 2kl1 s ILE 36 Ca 0.54 -0.57 0.10 0.00 -2.23 0.00 0.00 60.65 58.48 2kl1 s ILE 36 Cb -0.30 -3.87 -0.14 0.00 -1.58 0.00 0.00 42.46 36.57 2kl1 s ILE 36 CO 0.33 -0.24 0.28 -0.46 -1.23 0.00 0.00 174.94 173.62 2kl1 n ASN 37 N 5.14 1.98 -3.98 3.58 6.94 -1.26 -4.90 115.26 122.75 2kl1 n ASN 37 Ca -0.11 -0.24 -0.09 0.00 -0.02 0.00 0.00 54.58 54.12 2kl1 n ASN 37 Cb 0.48 1.31 -0.10 0.00 -2.36 0.00 0.00 39.78 39.10 2kl1 n ASN 37 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2kl1 s THR 38 N -2.44 0.15 0.28 5.53 -4.23 -1.26 -4.45 115.64 109.22 2kl1 s THR 38 Ca -0.01 -1.24 0.21 0.00 -1.18 0.00 0.00 61.69 59.47 2kl1 s THR 38 Cb 0.07 -0.90 0.19 0.00 1.34 0.00 0.00 72.50 73.20 2kl1 s THR 38 CO 0.41 -0.68 1.87 -1.28 -0.54 0.00 0.00 174.62 174.40 2kl1 h SER 39 N 3.77 0.00 0.09 3.99 0.87 -2.01 -2.51 113.55 117.75 2kl1 h SER 39 Ca -0.33 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.15 2kl1 h SER 39 Cb 1.18 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 2kl1 h SER 39 CO 0.52 0.27 -0.27 -0.33 -0.53 0.00 0.00 176.83 176.49 2kl1 h GLU 40 N 0.00 0.29 -0.00 2.24 3.07 -2.00 -2.28 114.58 115.90 2kl1 h GLU 40 Ca -0.00 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 2kl1 h GLU 40 Cb 0.65 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.54 2kl1 h GLU 40 CO 0.03 0.54 0.00 0.37 -1.40 0.00 0.00 179.01 178.56 2kl1 h GLN 41 N 0.26 0.00 0.00 2.33 5.75 -1.86 0.39 115.11 121.97 2kl1 h GLN 41 Ca 0.04 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.41 2kl1 h GLN 41 Cb 0.62 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.15 2kl1 h GLN 41 CO 0.04 0.00 -0.63 0.82 -2.65 0.00 0.00 178.83 176.41 2kl1 h ILE 42 N 0.00 1.19 -0.20 2.39 1.08 -1.52 -2.41 117.51 118.05 2kl1 h ILE 42 Ca 0.00 -2.38 -0.09 0.00 -0.39 0.00 0.00 64.86 61.99 2kl1 h ILE 42 Cb 0.00 2.39 -0.00 0.00 -3.07 0.00 0.00 36.82 36.14 2kl1 h ILE 42 CO -0.00 0.62 -0.24 0.58 -0.69 0.00 0.00 178.15 178.42 2kl1 h VAL 43 N 0.00 1.33 -0.35 1.67 2.07 -0.82 -1.99 116.25 118.16 2kl1 h VAL 43 Ca -0.01 -1.43 -0.11 0.00 0.82 0.00 0.00 66.70 65.97 2kl1 h VAL 43 Cb 1.34 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 2kl1 h VAL 43 CO 0.08 0.44 -0.22 0.77 0.02 0.00 0.00 177.57 178.66 2kl1 h SER 44 N 0.18 0.80 0.21 0.57 4.64 -1.40 -2.76 113.55 115.79 2kl1 h SER 44 Ca 0.03 -0.43 -0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2kl1 h SER 44 Cb 0.80 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2kl1 h SER 44 CO 0.06 1.05 -0.15 0.22 -0.87 0.00 0.00 176.83 177.14 2kl1 h TYR 45 N 0.55 -0.39 -0.95 4.77 3.20 -1.44 -1.01 116.97 121.70 2kl1 h TYR 45 Ca 0.07 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.05 2kl1 h TYR 45 Cb 0.78 0.14 -0.08 0.00 1.54 0.00 0.00 36.73 39.11 2kl1 h TYR 45 CO 0.06 -0.23 0.59 0.28 -1.64 0.00 0.00 178.16 177.21 2kl1 h VAL 46 N -0.36 0.94 -0.76 1.81 2.07 -1.39 -0.88 116.25 117.68 2kl1 h VAL 46 Ca -0.01 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 2kl1 h VAL 46 Cb 0.32 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 2kl1 h VAL 46 CO -0.00 0.17 0.31 0.03 0.02 0.00 0.00 177.57 178.10 2kl1 h ARG 47 N 0.96 1.12 0.11 1.57 3.08 -1.12 -3.04 114.38 117.06 2kl1 h ARG 47 Ca 0.46 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 60.34 2kl1 h ARG 47 Cb 0.41 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 2kl1 h ARG 47 CO -0.25 0.90 -0.30 0.93 -1.07 0.00 0.00 179.97 180.19 2kl1 h GLU 48 N 1.10 -0.49 -6.90 0.04 5.08 0.17 -3.41 114.58 110.17 2kl1 h GLU 48 Ca 0.26 0.03 -0.47 0.00 -1.00 0.00 0.00 59.36 58.18 2kl1 h GLU 48 Cb 0.20 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2kl1 h GLU 48 CO -0.02 -0.33 0.30 0.15 -1.00 0.00 0.00 179.01 178.11 2kl1 s LYS 49 N -6.03 4.40 0.61 2.33 -0.14 -1.09 -5.07 119.74 114.74 2kl1 s LYS 49 Ca -0.16 1.17 0.06 0.00 -1.36 0.00 0.00 55.97 55.69 2kl1 s LYS 49 Cb 0.08 -2.59 0.09 0.00 -1.68 0.00 0.00 37.83 33.73 2kl1 s LYS 49 CO 0.65 0.19 0.83 1.14 -0.76 0.00 0.00 175.35 177.40 2kl1 s GLN 50 N -2.46 2.16 0.28 1.68 -2.07 -1.26 -4.86 119.66 113.13 2kl1 s GLN 50 Ca 0.53 -1.45 -0.30 0.00 -1.82 0.00 0.00 55.36 52.33 2kl1 s GLN 50 Cb -0.15 -2.56 -0.10 0.00 -1.09 0.00 0.00 33.01 29.11 2kl1 s GLN 50 CO 0.20 -0.99 1.45 0.00 -1.32 0.00 0.00 175.29 174.63 2kl1 s ALA 51 N -2.78 3.63 0.00 2.60 0.00 -1.26 -2.11 121.76 121.83 2kl1 s ALA 51 Ca 0.63 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.96 2kl1 s ALA 51 Cb -0.06 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2kl1 s ALA 51 CO 0.40 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.78 2kl1 n GLY 52 N 1.89 0.74 3.75 0.00 0.00 -0.96 -5.04 105.19 105.57 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 -2.85 3.15 -0.02 1.61 2.15 -0.90 -4.80 116.67 115.01 2kl1 s ASP 53 Ca 0.00 0.98 0.00 0.00 0.43 0.00 0.00 52.55 53.97 2kl1 s ASP 53 Cb 0.00 -1.56 0.02 0.00 -0.30 0.00 0.00 42.92 41.08 2kl1 s ASP 53 CO 0.00 -2.78 0.00 0.00 -0.17 0.00 0.00 175.17 172.22 2kl1 s ARG 54 N -5.22 0.23 -0.03 4.34 1.70 -1.26 -1.30 118.95 117.41 2kl1 s ARG 54 Ca 0.65 0.06 0.01 0.00 -0.47 0.00 0.00 55.73 55.98 2kl1 s ARG 54 Cb -0.15 -0.39 0.02 0.00 -0.57 0.00 0.00 34.95 33.85 2kl1 s ARG 54 CO 0.54 -0.11 -0.02 0.14 -1.08 0.00 0.00 175.30 174.77 2kl1 s VAL 55 N 0.83 0.33 -0.44 4.99 -7.23 -0.41 -5.02 120.40 113.46 2kl1 s VAL 55 Ca -0.08 -0.04 -0.29 0.00 -1.81 0.00 0.00 61.98 59.76 2kl1 s VAL 55 Cb -0.11 -0.38 0.01 0.00 0.56 0.00 0.00 36.38 36.46 2kl1 s VAL 55 CO -0.02 0.16 1.40 -0.13 -0.31 0.00 0.00 175.10 176.20 2kl1 s ARG 56 N 0.77 3.54 -0.13 4.82 1.81 -1.26 -2.74 118.95 125.75 2kl1 s ARG 56 Ca -0.09 0.83 -0.08 0.00 -1.72 0.00 0.00 55.73 54.68 2kl1 s ARG 56 Cb -0.12 -4.03 -0.04 0.00 -0.45 0.00 0.00 34.95 30.30 2kl1 s ARG 56 CO -0.01 -1.62 0.14 0.08 -0.68 0.00 0.00 175.30 173.21 2kl1 s VAL 57 N 5.49 5.49 -0.07 3.52 1.01 -0.00 0.73 120.40 136.56 2kl1 s VAL 57 Ca 0.59 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.77 2kl1 s VAL 57 Cb -0.13 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 2kl1 s VAL 57 CO 0.32 0.58 0.00 -0.89 0.00 0.00 0.00 175.10 175.11 2kl1 s THR 58 N -0.76 4.28 0.02 3.92 2.01 0.74 0.20 115.64 126.05 2kl1 s THR 58 Ca 0.14 -0.31 -0.13 0.00 0.31 0.00 0.00 61.69 61.70 2kl1 s THR 58 Cb -0.12 -2.82 0.02 0.00 0.01 0.00 0.00 72.50 69.59 2kl1 s THR 58 CO 0.03 0.57 0.27 0.72 -0.69 0.00 0.00 174.62 175.52 2kl1 s PHE 59 N -0.92 -0.09 -0.12 4.92 -0.71 -0.74 -2.71 117.98 117.60 2kl1 s PHE 59 Ca 0.14 0.02 -0.03 0.00 -1.04 0.00 0.00 56.93 56.02 2kl1 s PHE 59 Cb -0.11 0.06 -0.03 0.00 -1.21 0.00 0.00 43.02 41.72 2kl1 s PHE 59 CO 0.04 -0.43 -0.00 0.42 -1.34 0.00 0.00 175.22 173.90 2kl1 s ILE 60 N -2.04 4.24 -0.05 -4.49 1.09 -0.99 -1.50 121.20 117.47 2kl1 s ILE 60 Ca -0.09 -0.25 -0.02 0.00 -1.10 0.00 0.00 60.65 59.19 2kl1 s ILE 60 Cb -0.03 -2.82 0.03 0.00 -1.06 0.00 0.00 42.46 38.58 2kl1 s ILE 60 CO -0.00 0.55 0.08 -0.60 -0.10 0.00 0.00 174.94 174.87 2kl1 s ARG 61 N -0.33 -0.04 -1.47 2.79 3.52 -0.60 -3.81 118.95 119.01 2kl1 s ARG 61 Ca 0.07 0.38 -0.02 0.00 -0.13 0.00 0.00 55.73 56.03 2kl1 s ARG 61 Cb -0.12 -0.41 0.02 0.00 -1.56 0.00 0.00 34.95 32.88 2kl1 s ARG 61 CO 0.02 -0.29 0.36 -0.25 -0.81 0.00 0.00 175.30 174.32 2kl1 n ASP 62 N 5.07 -0.28 0.00 -2.12 8.00 -1.26 0.15 116.55 126.11 2kl1 n ASP 62 Ca -0.08 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.35 2kl1 n ASP 62 Cb 0.50 -2.69 0.00 0.00 -0.02 0.00 0.00 41.12 38.91 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 -4.44 -1.49 -3.85 -1.24 1.74 -1.26 -4.94 116.66 101.17 2kl1 n ARG 63 Ca -0.28 0.37 -0.35 0.00 -0.77 0.00 0.00 57.85 56.82 2kl1 n ARG 63 Cb 0.67 -4.56 -0.13 0.00 -1.02 0.00 0.00 32.46 27.42 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 -1.55 2.25 0.36 5.56 1.02 0.39 -5.10 119.74 122.67 2kl1 s LYS 64 Ca 0.00 -1.49 -0.24 0.00 0.02 0.00 0.00 55.97 54.26 2kl1 s LYS 64 Cb 0.00 -3.35 -0.10 0.00 -0.52 0.00 0.00 37.83 33.85 2kl1 s LYS 64 CO 0.00 -0.80 0.95 1.14 -0.92 0.00 0.00 175.35 175.71 2kl1 s GLN 65 N 1.21 4.47 -0.10 1.68 1.03 -1.26 -1.56 119.66 125.13 2kl1 s GLN 65 Ca 0.01 1.26 -0.19 0.00 0.04 0.00 0.00 55.36 56.48 2kl1 s GLN 65 Cb -0.21 -2.60 0.04 0.00 0.03 0.00 0.00 33.01 30.28 2kl1 s GLN 65 CO -0.02 0.18 0.46 -1.01 -2.54 0.00 0.00 175.29 172.36 2kl1 s HIS 66 N -1.80 -0.44 -0.10 9.60 3.76 -0.56 -4.97 115.29 120.77 2kl1 s HIS 66 Ca 0.54 0.91 -0.20 0.00 -0.15 0.00 0.00 55.06 56.16 2kl1 s HIS 66 Cb -0.15 0.20 -0.04 0.00 1.11 0.00 0.00 32.58 33.70 2kl1 s HIS 66 CO 0.20 -0.38 0.56 -1.21 -0.85 0.00 0.00 174.74 173.06 2kl1 s GLU 67 N -0.59 4.37 -0.16 1.40 8.01 -1.26 -1.80 118.70 128.68 2kl1 s GLU 67 Ca -0.07 0.60 -0.03 0.00 0.01 0.00 0.00 54.97 55.49 2kl1 s GLU 67 Cb -0.03 -3.44 -0.02 0.00 -4.31 0.00 0.00 34.13 26.32 2kl1 s GLU 67 CO 0.04 0.12 -0.07 0.00 0.01 0.00 0.00 175.26 175.36 2kl1 s ALA 68 N 0.71 2.85 -0.67 5.21 0.00 0.53 -4.93 121.76 125.47 2kl1 s ALA 68 Ca 0.30 -0.90 -0.27 0.00 0.00 0.00 0.00 51.96 51.09 2kl1 s ALA 68 Cb -0.16 -1.48 0.03 0.00 0.00 0.00 0.00 23.12 21.52 2kl1 s ALA 68 CO 0.13 0.11 1.23 -2.00 0.00 0.00 0.00 175.76 175.23 2kl1 s GLU 69 N 0.55 3.33 0.03 0.00 2.56 -1.26 -0.82 118.70 123.08 2kl1 s GLU 69 Ca -0.05 -0.05 0.04 0.00 0.00 0.00 0.00 54.97 54.91 2kl1 s GLU 69 Cb -0.15 -4.11 -0.04 0.00 2.00 0.00 0.00 34.13 31.84 2kl1 s GLU 69 CO 0.03 -1.93 -0.07 -0.51 -0.56 0.00 0.00 175.26 172.23 2kl1 s LEU 70 N 5.32 3.17 -0.07 2.70 2.01 -1.11 -4.75 118.68 125.96 2kl1 s LEU 70 Ca 0.38 -0.18 0.04 0.00 0.01 0.00 0.00 54.13 54.38 2kl1 s LEU 70 Cb -0.08 -1.85 0.00 0.00 0.01 0.00 0.00 46.19 44.27 2kl1 s LEU 70 CO 0.19 0.26 -0.19 0.54 1.01 0.00 0.00 176.35 178.16 2kl1 s VAL 71 N -1.06 1.66 0.13 -1.59 0.11 -1.26 -1.29 120.40 117.10 2kl1 s VAL 71 Ca 0.18 -0.81 -0.31 0.00 -2.93 0.00 0.00 61.98 58.11 2kl1 s VAL 71 Cb -0.11 -1.44 -0.09 0.00 -1.53 0.00 0.00 36.38 33.21 2kl1 s VAL 71 CO 0.09 0.47 1.55 -0.76 -3.33 0.00 0.00 175.10 173.13 2kl1 s LEU 72 N 0.23 4.37 -0.06 2.54 2.01 -0.42 -4.94 118.68 122.41 2kl1 s LEU 72 Ca -0.11 2.52 -0.01 0.00 0.01 0.00 0.00 54.13 56.55 2kl1 s LEU 72 Cb -0.15 -3.58 0.03 0.00 0.01 0.00 0.00 46.19 42.50 2kl1 s LEU 72 CO 0.05 -0.81 0.01 -0.75 1.01 0.00 0.00 176.35 175.86 2kl1 s LYS 73 N 1.53 0.49 0.49 1.70 2.20 -1.26 -2.27 119.74 122.62 2kl1 s LYS 73 Ca 0.70 0.13 -0.08 0.00 -0.36 0.00 0.00 55.97 56.35 2kl1 s LYS 73 Cb -0.41 -0.84 0.11 0.00 -1.51 0.00 0.00 37.83 35.18 2kl1 s LYS 73 CO 0.31 -0.27 0.58 -0.35 -0.36 0.00 0.00 175.35 175.26 2kl1 n PRO 74 N 4.97 -1.02 -4.13 4.03 -0.04 -1.26 -1.24 135.00 136.32 2kl1 n PRO 74 Ca -0.10 -0.91 -0.31 0.00 -0.04 0.00 0.00 63.50 62.14 2kl1 n PRO 74 Cb 0.50 -0.67 -0.07 0.00 -0.04 0.00 0.00 33.50 33.22 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 -2.21 3.14 0.31 0.54 0.08 -1.19 -4.70 117.98 113.95 2kl1 s PHE 75 Ca 0.34 0.08 0.03 0.00 0.12 0.00 0.00 56.93 57.51 2kl1 s PHE 75 Cb -0.02 -1.64 0.53 0.00 -0.57 0.00 0.00 43.02 41.32 2kl1 s PHE 75 CO 0.25 0.51 1.82 -1.00 -0.10 0.00 0.00 175.22 176.69 2kl1 h PRO 76 N 3.72 0.52 0.00 0.24 0.13 -1.98 -1.17 132.00 133.46 2kl1 h PRO 76 Ca -0.48 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2kl1 h PRO 76 Cb 1.17 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2kl1 h PRO 76 CO 0.62 0.61 0.00 1.12 -0.23 0.00 0.00 178.00 180.12 2kl1 h HIS 77 N 0.48 0.00 -1.75 1.56 2.07 -2.00 -3.36 115.15 112.16 2kl1 h HIS 77 Ca 0.09 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 57.13 2kl1 h HIS 77 Cb 0.45 0.00 -0.33 0.00 2.57 0.00 0.00 27.41 30.10 2kl1 h HIS 77 CO 0.02 0.00 -0.94 0.72 -3.07 0.00 0.00 177.93 174.66 2kl1 n HIS 78 N -2.51 -1.24 0.34 6.12 8.25 -0.79 -4.97 115.22 120.43 2kl1 n HIS 78 Ca 0.04 -3.05 0.09 0.00 -0.26 0.00 0.00 57.72 54.54 2kl1 n HIS 78 Cb 0.40 0.25 0.40 0.00 1.12 0.00 0.00 29.99 32.16 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 1.99 0.11 -0.59 -0.41 -0.04 -0.51 -1.88 135.00 133.66 2kl1 n PRO 79 Ca 0.22 0.42 0.05 0.00 -0.04 0.00 0.00 63.50 64.15 2kl1 n PRO 79 Cb 0.53 -1.74 0.28 0.00 -0.04 0.00 0.00 33.50 32.53 2kl1 n PRO 79 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2kl1 n ASN 80 N -1.95 4.17 -3.76 3.54 5.15 -1.26 -4.83 115.26 116.32 2kl1 n ASN 80 Ca 0.02 -2.59 -0.14 0.00 -0.60 0.00 0.00 54.58 51.28 2kl1 n ASN 80 Cb 0.16 -0.60 -0.14 0.00 -0.53 0.00 0.00 39.78 38.66 2kl1 n ASN 80 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2kl1 s GLN 81 N -2.14 0.08 0.63 1.20 2.00 -0.79 -5.13 119.66 115.52 2kl1 s GLN 81 Ca 0.38 0.32 -0.13 0.00 -2.00 0.00 0.00 55.36 53.93 2kl1 s GLN 81 Cb 0.28 -0.16 -0.02 0.00 0.80 0.00 0.00 33.01 33.91 2kl1 s GLN 81 CO 0.12 -0.15 1.05 0.42 -0.50 0.00 0.00 175.29 176.23 2kl1 s ILE 82 N 1.03 4.13 -0.41 -2.34 -1.09 -1.26 -3.19 121.20 118.07 2kl1 s ILE 82 Ca -0.08 0.82 -0.27 0.00 -2.23 0.00 0.00 60.65 58.89 2kl1 s ILE 82 Cb -0.10 -3.50 -0.05 0.00 -1.58 0.00 0.00 42.46 37.22 2kl1 s ILE 82 CO -0.05 -0.78 2.24 -0.83 -1.23 0.00 0.00 174.94 174.29 2kl1 s GLY 83 N -3.48 0.01 0.09 6.18 0.00 -0.37 -4.79 107.32 104.96 2kl1 s GLY 83 Ca 0.59 0.18 0.27 0.00 0.00 0.00 0.00 44.72 45.77 2kl1 s GLY 83 CO 0.47 3.89 1.77 -0.10 0.00 0.00 0.00 173.10 179.13 2kl1 n LEU 84 N 13.88 0.42 -4.91 0.66 0.00 -1.26 -4.84 117.00 120.95 2kl1 n LEU 84 Ca 0.32 0.46 -0.20 0.00 0.00 0.00 0.00 56.01 56.59 2kl1 n LEU 84 Cb 0.51 -0.38 -0.02 0.00 0.00 0.00 0.00 43.42 43.53 2kl1 n LEU 84 CO 0.69 -0.06 0.02 -0.83 0.00 0.00 0.00 177.39 177.21 2kl1 s GLY 85 N -3.28 1.96 0.04 -3.96 0.00 -1.26 -4.95 107.32 95.86 2kl1 s GLY 85 Ca 0.12 -1.74 0.01 0.00 0.00 0.00 0.00 44.72 43.11 2kl1 s GLY 85 CO 0.59 -1.59 -0.05 0.14 0.00 0.00 0.00 173.10 172.18 2kl1 s VAL 86 N -2.37 0.35 0.00 1.40 1.01 -1.26 -5.07 120.40 114.45 2kl1 s VAL 86 Ca 0.48 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.36 2kl1 s VAL 86 Cb -0.06 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.75 2kl1 s VAL 86 CO 0.29 -0.49 0.00 0.35 0.00 0.00 0.00 175.10 175.25