#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk1 n GLY 2 N 0.00 4.25 0.00 3.03 0.00 -1.26 -4.29 105.19 106.92 2kk1 n GLY 2 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 2kk1 n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kk1 n HIS 3 N 6.21 0.00 -3.62 1.61 -0.00 -1.26 -5.08 115.22 113.08 2kk1 n HIS 3 Ca 0.51 -0.21 -0.08 0.00 -0.00 0.00 0.00 57.72 57.94 2kk1 n HIS 3 Cb 0.40 -0.02 -0.06 0.00 -0.00 0.00 0.00 29.99 30.30 2kk1 n HIS 3 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kk1 s HIS 4 N -0.41 -0.36 -0.02 4.41 0.00 -1.26 -5.17 115.29 112.47 2kk1 s HIS 4 Ca 0.00 0.81 0.08 0.00 -3.00 0.00 0.00 55.06 52.95 2kk1 s HIS 4 Cb 0.00 0.41 -0.02 0.00 -4.00 0.00 0.00 32.58 28.97 2kk1 s HIS 4 CO 0.00 -0.22 -0.25 -3.38 -1.00 0.00 0.00 174.74 169.89 2kk1 s HIS 5 N -0.21 2.30 -0.28 0.38 -0.00 -1.26 -5.09 115.29 111.13 2kk1 s HIS 5 Ca 0.03 -0.46 -0.29 0.00 -0.00 0.00 0.00 55.06 54.34 2kk1 s HIS 5 Cb -0.04 -1.48 -0.02 0.00 -0.00 0.00 0.00 32.58 31.04 2kk1 s HIS 5 CO -0.06 -0.06 1.68 -1.58 -0.00 0.00 0.00 174.74 174.73 2kk1 s HIS 6 N -0.56 1.99 0.08 0.38 5.65 -1.26 -4.94 115.29 116.62 2kk1 s HIS 6 Ca 0.09 0.58 -0.31 0.00 0.25 0.00 0.00 55.06 55.66 2kk1 s HIS 6 Cb -0.10 -4.08 -0.08 0.00 -1.18 0.00 0.00 32.58 27.14 2kk1 s HIS 6 CO -0.01 -2.90 1.59 -1.58 -0.65 0.00 0.00 174.74 171.19 2kk1 s HIS 7 N 5.95 2.62 -0.21 3.88 2.46 -1.26 -5.01 115.29 123.72 2kk1 s HIS 7 Ca 0.75 0.47 -0.02 0.00 0.47 0.00 0.00 55.06 56.73 2kk1 s HIS 7 Cb -0.23 -3.90 0.01 0.00 -0.13 0.00 0.00 32.58 28.33 2kk1 s HIS 7 CO 0.32 -3.52 -0.11 -1.58 -2.47 0.00 0.00 174.74 167.38 2kk1 s HIS 8 N 2.31 2.92 0.60 3.88 5.65 -1.26 -5.13 115.29 124.26 2kk1 s HIS 8 Ca 0.71 -1.34 -0.13 0.00 0.25 0.00 0.00 55.06 54.55 2kk1 s HIS 8 Cb -0.39 -2.02 -0.04 0.00 -1.18 0.00 0.00 32.58 28.94 2kk1 s HIS 8 CO 0.31 -0.69 1.03 -1.12 -0.65 0.00 0.00 174.74 173.62 2kk1 s SER 9 N 1.37 6.10 0.15 9.88 0.01 -1.26 -5.09 113.70 124.86 2kk1 s SER 9 Ca 0.04 1.57 0.07 0.00 1.31 0.00 0.00 55.95 58.94 2kk1 s SER 9 Cb -0.14 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 2kk1 s SER 9 CO -0.07 -0.95 -0.15 -1.38 0.41 0.00 0.00 173.24 171.09 2kk1 s HIS 10 N -2.87 1.57 0.61 2.43 0.00 -1.26 -5.15 115.29 110.63 2kk1 s HIS 10 Ca 0.58 -0.54 -0.16 0.00 -3.00 0.00 0.00 55.06 51.94 2kk1 s HIS 10 Cb -0.12 -0.79 -0.02 0.00 -4.00 0.00 0.00 32.58 27.64 2kk1 s HIS 10 CO 0.45 0.23 1.11 0.00 -1.00 0.00 0.00 174.74 175.52 2kk1 s MET 11 N -2.90 3.05 0.41 -0.38 0.00 -1.26 -5.07 119.30 113.14 2kk1 s MET 11 Ca 0.13 1.42 0.03 0.00 0.00 0.00 0.00 55.69 57.28 2kk1 s MET 11 Cb -0.04 -1.98 0.07 0.00 0.00 0.00 0.00 34.83 32.88 2kk1 s MET 11 CO 0.05 -1.06 0.56 0.00 0.00 0.00 0.00 175.02 174.57 2kk1 n ALA 12 N -2.03 0.48 -3.03 3.16 0.00 -1.26 -5.15 120.51 112.68 2kk1 n ALA 12 Ca 0.10 -1.28 -0.10 0.00 0.00 0.00 0.00 53.44 52.16 2kk1 n ALA 12 Cb 0.52 0.29 -0.05 0.00 0.00 0.00 0.00 19.45 20.20 2kk1 n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kk1 s ASN 13 N -3.39 0.12 0.00 0.00 4.22 -1.26 -5.17 114.94 109.45 2kk1 s ASN 13 Ca 0.40 -1.09 0.00 0.00 -2.14 0.00 0.00 52.86 50.03 2kk1 s ASN 13 Cb -0.03 0.58 0.00 0.00 1.28 0.00 0.00 41.25 43.09 2kk1 s ASN 13 CO 0.26 -1.15 0.00 0.61 -2.04 0.00 0.00 177.10 174.78 2kk1 n GLY 14 N -0.40 -0.23 3.52 0.45 0.00 -1.26 -5.17 105.19 102.10 2kk1 n GLY 14 Ca -0.01 -1.26 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 2kk1 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk1 s ALA 15 N -1.00 -1.82 -2.00 4.61 0.00 -1.26 -5.03 121.76 115.27 2kk1 s ALA 15 Ca 0.00 1.20 0.14 0.00 0.00 0.00 0.00 51.96 53.30 2kk1 s ALA 15 Cb 0.00 0.02 0.85 0.00 0.00 0.00 0.00 23.12 23.99 2kk1 s ALA 15 CO 0.00 -0.50 1.29 0.00 0.00 0.00 0.00 175.76 176.55 2kk1 n ALA 16 N 0.32 2.19 1.18 0.00 0.00 -1.26 -2.41 120.51 120.54 2kk1 n ALA 16 Ca -0.13 -0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.37 2kk1 n ALA 16 Cb 0.60 -1.23 0.65 0.00 0.00 0.00 0.00 19.45 19.47 2kk1 n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kk1 n GLY 17 N 0.18 -1.38 0.06 0.00 0.00 -1.26 -3.55 105.19 99.24 2kk1 n GLY 17 Ca 0.11 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.09 2kk1 n GLY 17 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kk1 n THR 18 N -1.39 0.87 0.33 2.61 -1.04 -1.01 -3.44 114.28 111.21 2kk1 n THR 18 Ca 0.10 0.21 0.21 0.00 -2.04 0.00 0.00 64.05 62.53 2kk1 n THR 18 Cb 0.30 -1.04 1.13 0.00 -1.82 0.00 0.00 70.33 68.91 2kk1 n THR 18 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 2kk1 h LYS 19 N 0.00 0.00 -0.11 -2.82 2.10 -1.84 -0.82 116.57 113.07 2kk1 h LYS 19 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kk1 h LYS 19 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 2kk1 h LYS 19 CO 0.00 0.00 0.00 0.28 -2.00 0.00 0.00 179.45 177.73 2kk1 n VAL 20 N -3.09 1.47 -0.16 0.07 0.31 -1.22 -4.82 118.33 110.88 2kk1 n VAL 20 Ca -0.03 -1.50 -0.02 0.00 -0.01 0.00 0.00 64.34 62.78 2kk1 n VAL 20 Cb 0.13 0.17 0.06 0.00 -0.91 0.00 0.00 33.84 33.29 2kk1 n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kk1 h ALA 21 N 0.72 0.50 -0.22 3.52 0.00 -1.33 -2.17 119.26 120.27 2kk1 h ALA 21 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2kk1 h ALA 21 Cb 0.85 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2kk1 h ALA 21 CO 0.04 -0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.20 2kk1 n LEU 22 N -5.20 2.95 -2.67 0.00 4.77 -1.26 -5.06 117.00 110.53 2kk1 n LEU 22 Ca 0.06 -1.33 -0.05 0.00 -0.03 0.00 0.00 56.01 54.66 2kk1 n LEU 22 Cb 0.27 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 2kk1 n LEU 22 CO 0.17 0.60 -0.59 0.54 -1.33 0.00 0.00 177.39 176.77 2kk1 n ARG 23 N 1.16 -4.15 0.00 3.23 1.74 -0.82 -5.07 116.66 112.75 2kk1 n ARG 23 Ca 0.14 3.17 0.00 0.00 -0.77 0.00 0.00 57.85 60.39 2kk1 n ARG 23 Cb 0.51 -4.62 0.00 0.00 -1.02 0.00 0.00 32.46 27.33 2kk1 n ARG 23 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2kk1 n LYS 24 N 1.72 0.00 -2.51 5.56 4.76 -1.26 -5.11 118.16 121.31 2kk1 n LYS 24 Ca -0.35 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 54.83 2kk1 n LYS 24 Cb 0.54 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.75 2kk1 n LYS 24 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2kk1 s THR 25 N -0.68 4.07 0.39 -0.18 -4.23 -1.26 -5.06 115.64 108.70 2kk1 s THR 25 Ca 0.00 0.02 -0.25 0.00 -1.18 0.00 0.00 61.69 60.28 2kk1 s THR 25 Cb 0.00 -3.58 -0.09 0.00 1.34 0.00 0.00 72.50 70.17 2kk1 s THR 25 CO 0.00 -0.58 1.17 -0.54 -0.54 0.00 0.00 174.62 174.13 2kk1 s LYS 26 N -4.88 4.08 -0.28 3.99 1.02 -1.26 -4.99 119.74 117.43 2kk1 s LYS 26 Ca 0.51 1.84 -0.14 0.00 0.02 0.00 0.00 55.97 58.21 2kk1 s LYS 26 Cb -0.10 -2.70 -0.12 0.00 -0.52 0.00 0.00 37.83 34.39 2kk1 s LYS 26 CO 0.44 -0.29 -0.34 0.00 -0.92 0.00 0.00 175.35 174.24 2kk1 n GLN 27 N 0.12 0.59 -3.63 1.68 10.64 -1.26 -5.04 117.38 120.49 2kk1 n GLN 27 Ca 0.04 0.26 -0.03 0.00 -1.83 0.00 0.00 57.00 55.44 2kk1 n GLN 27 Cb 0.46 -1.50 -0.06 0.00 -0.86 0.00 0.00 30.24 28.28 2kk1 n GLN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kk1 s ALA 28 N -2.51 -2.20 0.50 2.61 0.00 -1.26 -5.04 121.76 113.86 2kk1 s ALA 28 Ca -0.39 2.26 0.26 0.00 0.00 0.00 0.00 51.96 54.09 2kk1 s ALA 28 Cb 0.15 -1.66 1.35 0.00 0.00 0.00 0.00 23.12 22.95 2kk1 s ALA 28 CO 0.50 -0.41 1.90 0.00 0.00 0.00 0.00 175.76 177.74 2kk1 h ALA 29 N 6.45 2.59 -0.27 0.00 0.00 -1.96 0.45 119.26 126.53 2kk1 h ALA 29 Ca -0.27 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2kk1 h ALA 29 Cb 1.19 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2kk1 h ALA 29 CO 0.18 -0.84 -0.02 0.93 0.00 0.00 0.00 179.25 179.50 2kk1 h GLU 30 N 0.12 0.41 0.00 0.00 5.08 -2.05 -3.10 114.58 115.04 2kk1 h GLU 30 Ca 0.41 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2kk1 h GLU 30 Cb 1.43 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2kk1 h GLU 30 CO -0.06 0.46 -1.27 1.17 -1.00 0.00 0.00 179.01 178.30 2kk1 n LYS 31 N -4.30 0.27 -2.61 2.33 3.00 0.14 -4.94 118.16 112.04 2kk1 n LYS 31 Ca 0.01 -0.06 -0.42 0.00 -0.00 0.00 0.00 58.31 57.84 2kk1 n LYS 31 Cb 0.23 -1.53 -0.03 0.00 0.00 0.00 0.00 35.03 33.70 2kk1 n LYS 31 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2kk1 s ILE 32 N -3.20 4.60 -0.11 3.15 1.01 -0.22 -4.93 121.20 121.50 2kk1 s ILE 32 Ca 0.02 1.87 0.14 0.00 0.00 0.00 0.00 60.65 62.68 2kk1 s ILE 32 Cb 0.15 -4.20 -0.24 0.00 0.01 0.00 0.00 42.46 38.18 2kk1 s ILE 32 CO 0.86 0.11 0.41 -1.20 0.00 0.00 0.00 174.94 175.12 2kk1 n SER 33 N 4.21 0.63 0.20 3.58 7.64 -1.26 -4.35 113.62 124.28 2kk1 n SER 33 Ca 0.08 0.24 -0.17 0.00 1.01 0.00 0.00 58.87 60.02 2kk1 n SER 33 Cb 0.49 0.29 -0.10 0.00 -1.01 0.00 0.00 64.21 63.88 2kk1 n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kk1 h ALA 34 N 0.94 -1.08 0.00 -0.43 0.00 -1.92 -0.94 119.26 115.83 2kk1 h ALA 34 Ca -0.40 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2kk1 h ALA 34 Cb 2.10 0.82 0.00 0.00 0.00 0.00 0.00 17.79 20.71 2kk1 h ALA 34 CO 0.06 -1.16 0.00 -0.25 0.00 0.00 0.00 179.25 177.90 2kk1 n ASP 35 N -5.50 0.10 0.13 0.00 9.92 -1.26 -1.53 116.55 118.41 2kk1 n ASP 35 Ca -0.10 0.53 0.10 0.00 -0.53 0.00 0.00 54.79 54.78 2kk1 n ASP 35 Cb 0.44 -0.55 0.03 0.00 -0.64 0.00 0.00 41.12 40.40 2kk1 n ASP 35 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 2kk1 h LYS 36 N 0.00 0.00 -6.23 -1.24 3.11 -1.40 -3.44 116.57 107.37 2kk1 h LYS 36 Ca 0.00 0.00 -0.53 0.00 -2.81 0.00 0.00 60.65 57.31 2kk1 h LYS 36 Cb 0.17 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.35 2kk1 h LYS 36 CO 0.00 0.07 1.20 0.42 -2.81 0.00 0.00 179.45 178.33 2kk1 s ILE 37 N -3.24 3.59 0.42 2.00 -1.09 -0.58 -4.99 121.20 117.30 2kk1 s ILE 37 Ca 0.01 0.43 -0.14 0.00 -2.23 0.00 0.00 60.65 58.73 2kk1 s ILE 37 Cb 0.08 -4.29 -0.08 0.00 -1.58 0.00 0.00 42.46 36.60 2kk1 s ILE 37 CO 0.76 -1.15 0.83 -0.44 -1.23 0.00 0.00 174.94 173.72 2kk1 s SER 38 N 5.78 6.64 0.13 3.58 0.01 -1.26 -4.76 113.70 123.81 2kk1 s SER 38 Ca 0.57 1.33 -0.21 0.00 1.31 0.00 0.00 55.95 58.94 2kk1 s SER 38 Cb -0.12 -2.40 -0.02 0.00 0.21 0.00 0.00 66.02 63.69 2kk1 s SER 38 CO 0.22 -0.40 1.68 0.50 0.41 0.00 0.00 173.24 175.65 2kk1 h LYS 39 N 1.45 -0.11 -0.39 12.44 3.64 -1.99 -2.51 116.57 129.10 2kk1 h LYS 39 Ca -0.47 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.00 2kk1 h LYS 39 Cb 1.18 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.95 2kk1 h LYS 39 CO 0.63 -0.08 -0.17 1.05 -2.27 0.00 0.00 179.45 178.62 2kk1 h GLU 40 N -0.12 -0.09 -0.94 1.90 4.11 -1.99 -1.90 114.58 115.55 2kk1 h GLU 40 Ca 0.10 0.01 0.06 0.00 0.07 0.00 0.00 59.36 59.60 2kk1 h GLU 40 Cb 0.26 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 2kk1 h GLU 40 CO -0.24 -0.06 0.60 0.00 0.07 0.00 0.00 179.01 179.38 2kk1 h ALA 41 N 1.20 1.31 -0.22 1.06 0.00 -1.87 -0.09 119.26 120.65 2kk1 h ALA 41 Ca 0.19 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2kk1 h ALA 41 Cb 0.39 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2kk1 h ALA 41 CO -0.45 0.38 -0.01 1.25 0.00 0.00 0.00 179.25 180.42 2kk1 h LEU 42 N 1.09 0.39 -0.89 0.00 6.46 -1.05 -2.32 115.31 119.00 2kk1 h LEU 42 Ca 0.41 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 2kk1 h LEU 42 Cb 0.17 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 39.95 2kk1 h LEU 42 CO -0.17 0.61 0.57 -0.07 -0.62 0.00 0.00 178.44 178.76 2kk1 h LEU 43 N 0.16 1.03 -0.24 2.25 3.38 -0.68 -0.79 115.31 120.42 2kk1 h LEU 43 Ca 0.06 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.00 2kk1 h LEU 43 Cb 0.42 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2kk1 h LEU 43 CO 0.01 0.76 0.14 -0.33 0.09 0.00 0.00 178.44 179.12 2kk1 h GLU 44 N 1.21 0.28 0.11 1.13 4.39 -0.97 -0.54 114.58 120.20 2kk1 h GLU 44 Ca 0.32 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 2kk1 h GLU 44 Cb -0.11 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 2kk1 h GLU 44 CO -0.07 0.19 -0.05 0.00 -1.16 0.00 0.00 179.01 177.92 2kk1 h ALA 46 N 0.61 1.45 -0.83 0.00 0.00 -1.10 -2.47 119.26 116.93 2kk1 h ALA 46 Ca -0.02 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.90 2kk1 h ALA 46 Cb 0.21 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 2kk1 h ALA 46 CO 0.03 0.46 0.54 0.22 0.00 0.00 0.00 179.25 180.50 2kk1 h ASP 47 N 0.86 0.73 -0.74 0.00 3.58 -0.99 -1.67 116.42 118.20 2kk1 h ASP 47 Ca 0.22 0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.71 2kk1 h ASP 47 Cb -0.00 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 40.87 2kk1 h ASP 47 CO -0.04 0.44 0.48 -0.07 -2.88 0.00 0.00 179.24 177.17 2kk1 h LEU 48 N 0.82 0.81 0.45 2.28 3.38 -1.40 -1.43 115.31 120.21 2kk1 h LEU 48 Ca 0.38 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.32 2kk1 h LEU 48 Cb 0.39 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2kk1 h LEU 48 CO -0.15 0.57 -0.21 -0.07 0.09 0.00 0.00 178.44 178.66 2kk1 h LEU 49 N 0.95 -0.51 -0.44 1.67 4.07 -1.38 0.11 115.31 119.80 2kk1 h LEU 49 Ca 0.29 -0.06 0.03 0.00 0.08 0.00 0.00 57.88 58.22 2kk1 h LEU 49 Cb -0.04 0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.80 2kk1 h LEU 49 CO -0.09 -0.25 0.24 0.77 -1.08 0.00 0.00 178.44 178.03 2kk1 h SER 50 N -0.76 0.37 0.03 -0.43 4.64 -1.47 -1.34 113.55 114.60 2kk1 h SER 50 Ca -0.06 0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.18 2kk1 h SER 50 Cb 0.53 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 2kk1 h SER 50 CO 0.10 0.26 -0.26 -1.28 -0.87 0.00 0.00 176.83 174.78 2kk1 h SER 51 N 0.48 0.38 0.03 4.97 0.87 -1.26 -3.07 113.55 115.95 2kk1 h SER 51 Ca 0.18 -0.12 -0.14 0.00 -1.23 0.00 0.00 61.79 60.47 2kk1 h SER 51 Cb 0.05 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2kk1 h SER 51 CO -0.11 0.64 -0.47 0.00 -0.53 0.00 0.00 176.83 176.36 2kk1 h ALA 52 N 1.39 0.80 0.00 6.23 0.00 -0.15 -3.09 119.26 124.44 2kk1 h ALA 52 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2kk1 h ALA 52 Cb 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2kk1 h ALA 52 CO 0.05 0.66 0.00 1.28 0.00 0.00 0.00 179.25 181.24 2kk1 n LEU 53 N -3.99 0.42 -0.24 0.00 4.77 -0.56 -1.46 117.00 115.94 2kk1 n LEU 53 Ca -0.02 0.66 0.14 0.00 -0.03 0.00 0.00 56.01 56.76 2kk1 n LEU 53 Cb 0.56 -0.66 0.63 0.00 -2.33 0.00 0.00 43.42 41.61 2kk1 n LEU 53 CO 0.46 -0.68 0.90 0.35 -1.33 0.00 0.00 177.39 177.09 2kk1 n THR 54 N -2.03 0.00 -4.20 -5.08 -2.24 -1.17 -4.72 114.28 94.84 2kk1 n THR 54 Ca 0.00 -0.13 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 2kk1 n THR 54 Cb 0.10 0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.32 2kk1 n THR 54 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2kk1 s GLU 55 N -2.19 0.92 0.04 -0.78 -1.05 -0.53 -5.09 118.70 110.03 2kk1 s GLU 55 Ca 0.36 -1.34 -0.30 0.00 -0.15 0.00 0.00 54.97 53.54 2kk1 s GLU 55 Cb 0.21 -0.43 -0.08 0.00 -0.44 0.00 0.00 34.13 33.38 2kk1 s GLU 55 CO 0.40 0.04 1.78 -2.14 0.95 0.00 0.00 175.26 176.29 2kk1 s PRO 56 N -3.58 4.17 -0.00 -4.83 0.02 -1.26 -4.79 135.00 124.72 2kk1 s PRO 56 Ca 0.12 2.44 -0.02 0.00 0.02 0.00 0.00 61.00 63.57 2kk1 s PRO 56 Cb 0.02 -3.85 -0.00 0.00 0.02 0.00 0.00 34.50 30.69 2kk1 s PRO 56 CO -0.02 -0.84 0.03 0.14 -0.33 0.00 0.00 177.00 175.97 2kk1 s VAL 57 N 3.49 0.05 0.31 3.83 -7.23 -1.26 -4.98 120.40 114.61 2kk1 s VAL 57 Ca 0.79 -0.39 -0.29 0.00 -1.81 0.00 0.00 61.98 60.29 2kk1 s VAL 57 Cb -0.41 -0.17 -0.10 0.00 0.56 0.00 0.00 36.38 36.26 2kk1 s VAL 57 CO 0.35 -0.21 1.37 -2.16 -0.31 0.00 0.00 175.10 174.14 2kk1 s PRO 58 N -0.64 4.30 0.22 4.82 0.04 -1.26 -4.20 135.00 138.28 2kk1 s PRO 58 Ca -0.07 2.28 -0.10 0.00 0.04 0.00 0.00 61.00 63.16 2kk1 s PRO 58 Cb -0.04 -3.07 0.34 0.00 0.04 0.00 0.00 34.50 31.76 2kk1 s PRO 58 CO -0.00 -0.30 1.66 -0.97 0.04 0.00 0.00 177.00 177.42 2kk1 h ASN 59 N 3.86 -0.29 -0.79 6.66 -0.73 -0.71 -0.15 115.58 123.43 2kk1 h ASN 59 Ca -0.48 0.16 0.05 0.00 1.87 0.00 0.00 56.30 57.90 2kk1 h ASN 59 Cb 1.22 0.29 -0.05 0.00 0.27 0.00 0.00 38.32 40.06 2kk1 h ASN 59 CO 0.69 -0.13 0.52 -1.28 -0.37 0.00 0.00 177.43 176.86 2kk1 h SER 60 N 0.12 0.81 -0.40 1.15 0.87 -1.92 -1.54 113.55 112.64 2kk1 h SER 60 Ca 0.35 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.90 2kk1 h SER 60 Cb 0.58 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 2kk1 h SER 60 CO -0.57 0.54 0.21 -0.61 -0.53 0.00 0.00 176.83 175.88 2kk1 h GLN 61 N 0.93 0.56 -0.03 2.24 -0.00 -1.41 0.78 115.11 118.18 2kk1 h GLN 61 Ca 0.33 -0.07 -0.00 0.00 -0.00 0.00 0.00 58.65 58.90 2kk1 h GLN 61 Cb 0.12 -0.11 -0.00 0.00 0.00 0.00 0.00 27.48 27.49 2kk1 h GLN 61 CO -0.10 0.46 0.02 -0.07 0.00 0.00 0.00 178.83 179.14 2kk1 h LEU 62 N 0.51 0.04 -0.58 -2.39 3.38 -1.07 -0.21 115.31 114.98 2kk1 h LEU 62 Ca 0.14 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2kk1 h LEU 62 Cb 0.08 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2kk1 h LEU 62 CO -0.02 0.11 0.27 0.58 0.09 0.00 0.00 178.44 179.47 2kk1 h VAL 63 N -0.04 1.21 0.27 1.22 2.07 -1.19 0.92 116.25 120.71 2kk1 h VAL 63 Ca 0.01 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 2kk1 h VAL 63 Cb 0.08 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2kk1 h VAL 63 CO -0.00 0.24 -0.13 -0.78 0.02 0.00 0.00 177.57 176.92 2kk1 h ASP 64 N 0.78 -0.30 -0.79 0.57 3.58 -0.78 0.24 116.42 119.72 2kk1 h ASP 64 Ca 0.20 -0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 2kk1 h ASP 64 Cb 0.14 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.23 2kk1 h ASP 64 CO -0.02 -0.01 0.41 0.74 -2.88 0.00 0.00 179.24 177.47 2kk1 h THR 65 N -0.60 1.24 0.00 2.25 2.02 -1.01 -2.32 112.91 114.49 2kk1 h THR 65 Ca -0.04 -0.64 -0.11 0.00 0.77 0.00 0.00 66.41 66.40 2kk1 h THR 65 Cb 0.43 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 2kk1 h THR 65 CO 0.06 0.28 -0.54 1.23 0.37 0.00 0.00 175.52 176.92 2kk1 h GLY 66 N 1.15 0.00 0.47 2.16 0.00 -0.78 -3.29 103.07 102.78 2kk1 h GLY 66 Ca 0.28 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.73 2kk1 h GLY 66 CO -0.04 0.00 0.63 0.84 0.00 0.00 0.00 176.54 177.97 2kk1 h HIS 67 N 0.00 1.15 0.00 5.60 6.17 0.07 -1.23 115.15 126.91 2kk1 h HIS 67 Ca -0.01 0.03 -0.06 0.00 0.71 0.00 0.00 60.37 61.05 2kk1 h HIS 67 Cb 1.14 -0.36 -0.01 0.00 2.52 0.00 0.00 27.41 30.70 2kk1 h HIS 67 CO 0.00 0.46 -0.29 -0.56 0.71 0.00 0.00 177.93 178.25 2kk1 h GLN 68 N 1.00 0.00 -0.33 5.26 3.07 -1.62 -2.66 115.11 119.83 2kk1 h GLN 68 Ca 0.50 0.00 0.07 0.00 0.09 0.00 0.00 58.65 59.30 2kk1 h GLN 68 Cb 0.48 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.03 2kk1 h GLN 68 CO -0.26 0.29 0.23 -0.07 0.09 0.00 0.00 178.83 179.10 2kk1 h LEU 69 N 0.00 0.12 -0.68 0.06 -0.00 -1.39 0.97 115.31 114.39 2kk1 h LEU 69 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.78 2kk1 h LEU 69 Cb 0.55 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.16 2kk1 h LEU 69 CO 0.04 0.08 -0.01 -0.07 -0.00 0.00 0.00 178.44 178.48 2kk1 h LEU 70 N 0.14 0.99 0.42 1.67 -0.00 -1.55 0.10 115.31 117.08 2kk1 h LEU 70 Ca 0.15 -0.28 -0.02 0.00 -0.00 0.00 0.00 57.88 57.73 2kk1 h LEU 70 Cb 0.42 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 40.82 2kk1 h LEU 70 CO -0.02 1.05 -0.20 -0.78 -0.00 0.00 0.00 178.44 178.49 2kk1 h ASP 71 N 0.93 -0.48 -0.01 -0.43 3.58 -0.96 0.36 116.42 119.41 2kk1 h ASP 71 Ca 0.17 -0.06 0.02 0.00 0.42 0.00 0.00 57.03 57.59 2kk1 h ASP 71 Cb 0.55 0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.69 2kk1 h ASP 71 CO 0.03 -0.24 -0.15 1.88 -2.88 0.00 0.00 179.24 177.88 2kk1 h TYR 72 N -0.70 -0.39 -0.39 0.28 -1.99 -1.21 -2.68 116.97 109.89 2kk1 h TYR 72 Ca -0.06 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.67 2kk1 h TYR 72 Cb 0.50 0.18 -0.02 0.00 2.00 0.00 0.00 36.73 39.39 2kk1 h TYR 72 CO -0.02 -0.22 0.17 0.00 -0.00 0.00 0.00 178.16 178.09 2kk1 h SER 74 N 0.48 0.72 0.28 0.00 0.87 -0.87 -1.42 113.55 113.62 2kk1 h SER 74 Ca 0.13 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.35 2kk1 h SER 74 Cb 0.15 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2kk1 h SER 74 CO -0.01 0.48 -1.66 1.23 -0.53 0.00 0.00 176.83 176.33 2kk1 h GLY 75 N 0.83 0.41 1.24 5.77 0.00 -1.25 -3.38 103.07 106.70 2kk1 h GLY 75 Ca 0.32 -1.05 -0.05 0.00 0.00 0.00 0.00 47.33 46.54 2kk1 h GLY 75 CO -0.10 0.92 0.18 -1.82 0.00 0.00 0.00 176.54 175.71 2kk1 h TYR 76 N 0.10 0.98 -0.16 5.60 3.20 -0.09 -2.45 116.97 124.15 2kk1 h TYR 76 Ca -0.31 -0.09 0.05 0.00 3.14 0.00 0.00 58.73 61.52 2kk1 h TYR 76 Cb 2.08 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 40.06 2kk1 h TYR 76 CO 0.09 0.80 0.14 -0.24 -1.64 0.00 0.00 178.16 177.30 2kk1 h VAL 77 N 0.92 0.68 -0.60 1.81 3.04 -1.44 -0.00 116.25 120.65 2kk1 h VAL 77 Ca 0.20 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.86 2kk1 h VAL 77 Cb 0.29 0.90 -0.03 0.00 -2.01 0.00 0.00 31.29 30.44 2kk1 h VAL 77 CO -0.01 0.00 0.26 -0.78 -1.01 0.00 0.00 177.57 176.04 2kk1 h ASP 78 N 0.00 0.78 1.67 3.17 3.58 -1.63 -2.80 116.42 121.19 2kk1 h ASP 78 Ca 0.07 -0.09 -0.05 0.00 0.42 0.00 0.00 57.03 57.39 2kk1 h ASP 78 Cb 0.35 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 2kk1 h ASP 78 CO -0.00 0.68 -0.33 0.00 -2.88 0.00 0.00 179.24 176.71 2kk1 s ILE 80 N -3.12 3.51 -0.01 0.00 1.01 -1.04 -4.90 121.20 116.65 2kk1 s ILE 80 Ca 0.05 0.57 -0.09 0.00 0.00 0.00 0.00 60.65 61.18 2kk1 s ILE 80 Cb 0.06 -3.54 -0.31 0.00 0.01 0.00 0.00 42.46 38.69 2kk1 s ILE 80 CO 0.71 -0.24 0.83 1.55 0.00 0.00 0.00 174.94 177.79 2kk1 h PRO 81 N 11.50 0.37 -5.89 2.79 0.13 -1.87 -3.45 132.00 135.58 2kk1 h PRO 81 Ca -0.36 -0.63 -0.53 0.00 -0.87 0.00 0.00 66.00 63.61 2kk1 h PRO 81 Cb 1.17 0.24 -0.01 0.00 0.13 0.00 0.00 31.00 32.53 2kk1 h PRO 81 CO 0.99 1.27 1.49 -0.65 -0.23 0.00 0.00 178.00 180.87 2kk1 s GLN 82 N -2.60 2.70 0.38 0.86 1.11 -1.26 -4.83 119.66 116.01 2kk1 s GLN 82 Ca -0.12 1.48 0.09 0.00 0.01 0.00 0.00 55.36 56.83 2kk1 s GLN 82 Cb 0.06 -4.43 0.76 0.00 -1.01 0.00 0.00 33.01 28.39 2kk1 s GLN 82 CO 0.88 -2.61 1.91 1.15 0.01 0.00 0.00 175.29 176.62 2kk1 h THR 83 N 7.26 1.18 -0.59 -0.19 2.02 -1.98 0.12 112.91 120.73 2kk1 h THR 83 Ca -0.31 -0.81 0.03 0.00 0.77 0.00 0.00 66.41 66.09 2kk1 h THR 83 Cb 1.23 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 68.82 2kk1 h THR 83 CO 1.09 0.25 0.36 0.03 0.37 0.00 0.00 175.52 177.62 2kk1 h ARG 84 N 0.23 0.68 -0.11 6.66 -0.00 -2.00 0.44 114.38 120.29 2kk1 h ARG 84 Ca 0.05 -0.04 -0.18 0.00 -0.50 0.00 0.00 59.98 59.31 2kk1 h ARG 84 Cb 0.39 -0.15 0.01 0.00 0.00 0.00 0.00 29.97 30.22 2kk1 h ARG 84 CO 0.02 0.45 -0.63 -0.91 0.00 0.00 0.00 179.97 178.90 2kk1 h ASN 85 N 0.70 0.74 -0.96 7.04 4.21 -1.83 -3.26 115.58 122.22 2kk1 h ASN 85 Ca 0.24 -0.65 0.02 0.00 1.21 0.00 0.00 56.30 57.12 2kk1 h ASN 85 Cb 0.03 -0.22 -0.05 0.00 -1.12 0.00 0.00 38.32 36.96 2kk1 h ASN 85 CO -0.11 1.28 0.63 0.50 -1.29 0.00 0.00 177.43 178.44 2kk1 h LYS 86 N 0.26 1.24 0.12 0.81 3.64 -0.42 0.30 116.57 122.52 2kk1 h LYS 86 Ca -0.05 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 2kk1 h LYS 86 Cb 1.28 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2kk1 h LYS 86 CO 0.13 0.82 -0.06 0.35 -2.27 0.00 0.00 179.45 178.42 2kk1 h PHE 87 N 1.27 -0.15 -0.38 1.91 3.57 -1.03 0.76 116.94 122.88 2kk1 h PHE 87 Ca 0.36 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.82 2kk1 h PHE 87 Cb -0.10 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 2kk1 h PHE 87 CO -0.00 0.02 0.09 0.00 -2.23 0.00 0.00 178.31 176.19 2kk1 h ALA 88 N 0.56 1.45 0.05 2.41 0.00 -1.54 -1.69 119.26 120.51 2kk1 h ALA 88 Ca -0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2kk1 h ALA 88 Cb 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2kk1 h ALA 88 CO 0.03 0.40 -0.02 0.35 0.00 0.00 0.00 179.25 180.01 2kk1 h PHE 89 N 0.55 -0.06 -0.37 0.00 3.57 -0.12 -1.16 116.94 119.35 2kk1 h PHE 89 Ca 0.13 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 2kk1 h PHE 89 Cb 0.21 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2kk1 h PHE 89 CO 0.01 0.17 0.12 0.00 -2.23 0.00 0.00 178.31 176.38 2kk1 h ARG 90 N -0.29 0.57 -0.66 1.11 2.47 -0.69 -0.40 114.38 116.47 2kk1 h ARG 90 Ca -0.01 -0.12 -0.03 0.00 -1.26 0.00 0.00 59.98 58.57 2kk1 h ARG 90 Cb 0.26 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.47 2kk1 h ARG 90 CO 0.01 0.58 0.30 1.05 0.56 0.00 0.00 179.97 182.47 2kk1 h GLU 91 N 0.44 0.97 -0.59 0.04 4.11 -1.34 -2.11 114.58 116.11 2kk1 h GLU 91 Ca 0.12 -0.15 -0.05 0.00 0.07 0.00 0.00 59.36 59.35 2kk1 h GLU 91 Cb 0.24 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2kk1 h GLU 91 CO -0.00 0.79 0.18 0.00 0.07 0.00 0.00 179.01 180.04 2kk1 h ALA 92 N 1.13 0.77 -0.96 1.06 0.00 -1.04 -2.23 119.26 118.00 2kk1 h ALA 92 Ca 0.23 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.02 2kk1 h ALA 92 Cb 0.15 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 2kk1 h ALA 92 CO -0.02 0.44 0.62 0.28 0.00 0.00 0.00 179.25 180.56 2kk1 h VAL 93 N 0.83 1.01 -0.59 0.00 2.07 -0.85 -0.76 116.25 117.96 2kk1 h VAL 93 Ca 0.19 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.38 2kk1 h VAL 93 Cb 0.29 -0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 29.92 2kk1 h VAL 93 CO -0.00 0.19 0.36 -1.28 0.02 0.00 0.00 177.57 176.86 2kk1 h SER 94 N 1.03 0.59 -0.74 0.57 0.87 -0.79 -0.07 113.55 115.01 2kk1 h SER 94 Ca 0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 2kk1 h SER 94 Cb 0.31 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.11 2kk1 h SER 94 CO -0.19 0.41 0.47 0.11 -0.53 0.00 0.00 176.83 177.11 2kk1 h LYS 95 N 0.72 1.00 0.17 2.24 6.56 -0.90 -1.67 116.57 124.68 2kk1 h LYS 95 Ca 0.24 -0.07 -0.01 0.00 -1.06 0.00 0.00 60.65 59.75 2kk1 h LYS 95 Cb 0.02 -0.22 0.00 0.00 -0.57 0.00 0.00 32.23 31.46 2kk1 h LYS 95 CO -0.10 0.68 -0.08 1.25 -2.06 0.00 0.00 179.45 179.14 2kk1 h LEU 96 N 1.02 -0.20 -0.52 2.94 5.85 -0.09 -0.70 115.31 123.61 2kk1 h LEU 96 Ca 0.27 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 2kk1 h LEU 96 Cb -0.08 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2kk1 h LEU 96 CO -0.05 0.13 0.24 1.05 -0.34 0.00 0.00 178.44 179.47 2kk1 h GLU 97 N -0.54 0.75 -0.40 1.25 4.11 -1.00 -0.96 114.58 117.79 2kk1 h GLU 97 Ca -0.02 -0.11 -0.01 0.00 0.07 0.00 0.00 59.36 59.28 2kk1 h GLU 97 Cb 0.41 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2kk1 h GLU 97 CO 0.04 0.63 0.21 -0.07 0.07 0.00 0.00 179.01 179.88 2kk1 h LEU 98 N 0.69 0.52 -1.21 3.06 3.38 -1.34 -2.53 115.31 117.88 2kk1 h LEU 98 Ca 0.18 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 2kk1 h LEU 98 Cb 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2kk1 h LEU 98 CO -0.02 0.48 -0.34 -1.28 0.09 0.00 0.00 178.44 177.37 2kk1 h SER 99 N 0.52 0.09 -0.08 -0.43 0.87 -0.90 -2.05 113.55 111.56 2kk1 h SER 99 Ca 0.14 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 2kk1 h SER 99 Cb 0.09 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2kk1 h SER 99 CO -0.02 0.43 -0.01 -0.07 -0.53 0.00 0.00 176.83 176.63 2kk1 h LEU 100 N 0.08 0.15 -0.84 2.23 3.38 -1.00 -1.52 115.31 117.79 2kk1 h LEU 100 Ca 0.01 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.51 2kk1 h LEU 100 Cb 0.65 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2kk1 h LEU 100 CO 0.05 0.47 -0.43 0.06 0.09 0.00 0.00 178.44 178.68 2kk1 h GLN 101 N -0.17 0.32 -0.04 1.13 3.07 -1.34 -2.70 115.11 115.39 2kk1 h GLN 101 Ca 0.02 -0.16 -0.20 0.00 0.09 0.00 0.00 58.65 58.40 2kk1 h GLN 101 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.96 2kk1 h GLN 101 CO 0.01 0.69 -0.83 1.05 0.09 0.00 0.00 178.83 179.84 2kk1 h GLU 102 N 0.26 0.40 -0.45 0.06 4.11 -1.42 -3.09 114.58 114.46 2kk1 h GLU 102 Ca 0.02 -0.38 -0.00 0.00 0.07 0.00 0.00 59.36 59.07 2kk1 h GLU 102 Cb 0.87 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 2kk1 h GLU 102 CO 0.07 1.04 0.26 1.25 0.07 0.00 0.00 179.01 181.70 2kk1 h LEU 103 N 0.25 0.54 -0.19 3.06 5.85 -1.11 -0.02 115.31 123.69 2kk1 h LEU 103 Ca -0.05 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 2kk1 h LEU 103 Cb 1.44 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 2kk1 h LEU 103 CO 0.14 0.45 -0.02 0.06 -0.34 0.00 0.00 178.44 178.74 2kk1 h GLN 104 N 0.59 0.35 -0.26 1.25 3.07 -1.56 -0.11 115.11 118.44 2kk1 h GLN 104 Ca 0.16 -0.12 -0.15 0.00 0.09 0.00 0.00 58.65 58.63 2kk1 h GLN 104 Cb 0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.54 2kk1 h GLN 104 CO -0.03 0.58 -0.46 -0.39 0.09 0.00 0.00 178.83 178.62 2kk1 h VAL 105 N 0.09 1.30 -0.56 1.86 -1.51 -1.50 -3.04 116.25 112.89 2kk1 h VAL 105 Ca 0.05 -1.65 0.00 0.00 -1.23 0.00 0.00 66.70 63.87 2kk1 h VAL 105 Cb 0.43 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 2kk1 h VAL 105 CO 0.01 0.53 0.00 -1.20 -1.23 0.00 0.00 177.57 175.68 2kk1 n SER 106 N -4.01 4.91 0.28 4.19 7.64 -0.03 -4.60 113.62 122.00 2kk1 n SER 106 Ca -0.02 -2.65 -0.11 0.00 1.01 0.00 0.00 58.87 57.09 2kk1 n SER 106 Cb 0.56 -0.62 -0.05 0.00 -1.01 0.00 0.00 64.21 63.09 2kk1 n SER 106 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2kk1 h SER 107 N 3.69 -0.61 0.00 6.43 4.64 -0.89 -3.46 113.55 123.36 2kk1 h SER 107 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2kk1 h SER 107 Cb 1.63 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.88 2kk1 h SER 107 CO 0.35 -0.42 0.00 0.00 -0.87 0.00 0.00 176.83 175.89 2kk1 n ALA 108 N -2.38 0.00 -1.73 5.18 0.00 -1.26 -4.82 120.51 115.49 2kk1 n ALA 108 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.02 2kk1 n ALA 108 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.72 2kk1 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kk1 s ALA 109 N 0.00 2.78 -0.10 0.00 0.00 -1.26 -5.02 121.76 118.16 2kk1 s ALA 109 Ca 0.00 0.54 -0.05 0.00 0.00 0.00 0.00 51.96 52.46 2kk1 s ALA 109 Cb 0.00 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 2kk1 s ALA 109 CO 0.00 -0.61 0.15 0.00 0.00 0.00 0.00 175.76 175.30 2kk1 h ALA 110 N 1.00 -0.06 -1.39 0.00 0.00 -1.95 -3.43 119.26 113.42 2kk1 h ALA 110 Ca -0.48 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.09 2kk1 h ALA 110 Cb 1.23 0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.82 2kk1 h ALA 110 CO 0.58 -0.06 -0.63 0.20 0.00 0.00 0.00 179.25 179.34 2kk1 s GLY 111 N -3.53 -0.57 -0.12 0.00 0.00 -1.26 -0.00 107.32 101.84 2kk1 s GLY 111 Ca -0.03 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.74 2kk1 s GLY 111 CO 0.09 3.23 -0.17 0.14 0.00 0.00 0.00 173.10 176.39 2kk1 s VAL 112 N 0.68 2.70 0.01 1.40 1.01 -1.26 -4.33 120.40 120.61 2kk1 s VAL 112 Ca 0.30 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 2kk1 s VAL 112 Cb 0.01 -2.10 -0.07 0.00 0.00 0.00 0.00 36.38 34.21 2kk1 s VAL 112 CO -0.09 0.54 1.72 -2.16 0.00 0.00 0.00 175.10 175.11 2kk1 s PRO 113 N 0.29 4.18 -1.56 2.72 0.04 -1.26 -2.88 135.00 136.53 2kk1 s PRO 113 Ca -0.13 2.33 -0.01 0.00 0.04 0.00 0.00 61.00 63.24 2kk1 s PRO 113 Cb -0.16 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.48 2kk1 s PRO 113 CO 0.07 -0.84 0.09 0.41 0.04 0.00 0.00 177.00 176.77 2kk1 n GLY 114 N 4.18 -0.50 0.18 0.56 0.00 -1.26 -4.89 105.19 103.45 2kk1 n GLY 114 Ca 0.17 0.02 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 2kk1 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk1 h THR 115 N -0.21 1.35 -3.31 2.61 1.03 -1.97 -3.44 112.91 108.96 2kk1 h THR 115 Ca -0.45 -1.88 -0.66 0.00 -0.01 0.00 0.00 66.41 63.42 2kk1 h THR 115 Cb 1.33 2.16 -0.28 0.00 -1.07 0.00 0.00 68.15 70.29 2kk1 h THR 115 CO 0.52 0.57 -0.77 0.20 -0.01 0.00 0.00 175.52 176.04 2kk1 s ASN 116 N -6.79 3.96 0.65 0.00 0.01 -1.26 -5.00 114.94 106.51 2kk1 s ASN 116 Ca -0.12 -0.39 0.28 0.00 -0.71 0.00 0.00 52.86 51.92 2kk1 s ASN 116 Cb 0.06 -1.63 1.51 0.00 0.41 0.00 0.00 41.25 41.60 2kk1 s ASN 116 CO 0.85 0.09 1.87 -0.65 -1.51 0.00 0.00 177.10 177.75 2kk1 h PRO 117 N 7.24 0.00 -0.31 -0.60 0.11 -2.00 0.57 132.00 137.02 2kk1 h PRO 117 Ca -0.32 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.81 2kk1 h PRO 117 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2kk1 h PRO 117 CO 0.58 0.00 0.21 0.28 -0.21 0.00 0.00 178.00 178.86 2kk1 h VAL 118 N 0.00 1.02 -0.65 3.15 2.07 -1.96 -0.60 116.25 119.27 2kk1 h VAL 118 Ca 0.05 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2kk1 h VAL 118 Cb 0.86 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 2kk1 h VAL 118 CO -0.00 0.06 0.43 -0.07 0.02 0.00 0.00 177.57 178.00 2kk1 h LEU 119 N 0.32 0.76 -1.24 2.57 3.38 -1.26 -0.26 115.31 119.58 2kk1 h LEU 119 Ca 0.13 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 2kk1 h LEU 119 Cb 0.11 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2kk1 h LEU 119 CO -0.03 0.56 0.02 0.78 0.09 0.00 0.00 178.44 179.86 2kk1 h ASN 120 N 0.89 0.51 0.08 -0.43 4.21 -1.29 -0.56 115.58 118.98 2kk1 h ASN 120 Ca 0.24 -0.09 -0.00 0.00 1.21 0.00 0.00 56.30 57.66 2kk1 h ASN 120 Cb -0.09 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 36.98 2kk1 h ASN 120 CO -0.05 0.56 -0.04 0.78 -1.29 0.00 0.00 177.43 177.39 2kk1 h ASN 121 N 0.52 -0.09 -0.68 5.81 2.35 -0.54 -1.90 115.58 121.05 2kk1 h ASN 121 Ca 0.11 -0.23 0.08 0.00 -0.55 0.00 0.00 56.30 55.72 2kk1 h ASN 121 Cb 0.30 0.02 -0.07 0.00 0.05 0.00 0.00 38.32 38.63 2kk1 h ASN 121 CO 0.01 0.18 0.35 -0.07 -1.65 0.00 0.00 177.43 176.25 2kk1 h LEU 122 N -0.36 0.47 -0.42 1.61 3.38 -0.87 0.03 115.31 119.14 2kk1 h LEU 122 Ca -0.01 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.09 2kk1 h LEU 122 Cb 0.31 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 2kk1 h LEU 122 CO 0.02 0.28 0.03 0.25 0.09 0.00 0.00 178.44 179.11 2kk1 h LEU 123 N 0.61 -0.12 -0.13 1.67 5.85 -1.00 0.16 115.31 122.36 2kk1 h LEU 123 Ca 0.33 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.14 2kk1 h LEU 123 Cb 0.31 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2kk1 h LEU 123 CO -0.24 -0.03 0.08 -1.28 -0.34 0.00 0.00 178.44 176.64 2kk1 h SER 124 N 0.14 0.15 0.02 1.25 0.87 -0.68 -1.85 113.55 113.44 2kk1 h SER 124 Ca 0.21 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2kk1 h SER 124 Cb 0.29 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2kk1 h SER 124 CO -0.32 0.11 -0.01 0.00 -0.53 0.00 0.00 176.83 176.07 2kk1 h VAL 126 N -0.07 0.88 -0.16 0.00 2.07 -0.71 -0.27 116.25 118.00 2kk1 h VAL 126 Ca -0.00 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2kk1 h VAL 126 Cb 0.06 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2kk1 h VAL 126 CO 0.00 0.04 0.05 1.56 0.02 0.00 0.00 177.57 179.24 2kk1 h GLN 127 N -0.29 0.21 0.22 1.57 4.20 -1.32 -0.52 115.11 119.19 2kk1 h GLN 127 Ca -0.02 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2kk1 h GLN 127 Cb 0.23 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2kk1 h GLN 127 CO 0.04 0.19 -0.11 1.49 -0.67 0.00 0.00 178.83 179.77 2kk1 h GLU 128 N 0.22 -0.29 -0.27 1.46 4.57 -0.76 -2.35 114.58 117.15 2kk1 h GLU 128 Ca 0.06 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.31 2kk1 h GLU 128 Cb 0.07 0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.67 2kk1 h GLU 128 CO -0.00 0.09 -0.07 0.82 -1.18 0.00 0.00 179.01 178.67 2kk1 h ILE 129 N -0.82 0.73 -0.27 2.32 2.04 -0.84 -0.32 117.51 120.35 2kk1 h ILE 129 Ca -0.03 -0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.89 2kk1 h ILE 129 Cb 0.51 0.72 -0.07 0.00 -0.74 0.00 0.00 36.82 37.25 2kk1 h ILE 129 CO 0.05 0.00 -0.17 -1.28 0.00 0.00 0.00 178.15 176.75 2kk1 h SER 130 N 0.00 -0.57 -0.22 1.72 0.87 -1.19 -1.23 113.55 112.94 2kk1 h SER 130 Ca 0.13 0.12 0.05 0.00 -1.23 0.00 0.00 61.79 60.86 2kk1 h SER 130 Cb 0.20 0.29 -0.05 0.00 -0.44 0.00 0.00 62.40 62.41 2kk1 h SER 130 CO -0.28 -0.21 -0.08 -0.78 -0.53 0.00 0.00 176.83 174.94 2kk1 h ASP 131 N -0.15 -0.29 -1.00 6.23 3.58 -0.90 -1.05 116.42 122.85 2kk1 h ASP 131 Ca 0.14 0.08 0.14 0.00 0.42 0.00 0.00 57.03 57.82 2kk1 h ASP 131 Cb 0.37 0.17 -0.09 0.00 1.72 0.00 0.00 39.33 41.50 2kk1 h ASP 131 CO -0.36 -0.11 0.62 0.58 -2.88 0.00 0.00 179.24 177.09 2kk1 h VAL 132 N -0.05 0.85 0.00 2.25 2.07 -0.50 0.86 116.25 121.73 2kk1 h VAL 132 Ca 0.11 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 2kk1 h VAL 132 Cb 0.22 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 2kk1 h VAL 132 CO -0.25 0.16 -0.49 0.58 0.02 0.00 0.00 177.57 177.59 2kk1 h VAL 133 N 0.90 1.33 -0.26 2.57 2.07 -0.48 -3.08 116.25 119.29 2kk1 h VAL 133 Ca 0.52 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 66.33 2kk1 h VAL 133 Cb 0.64 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2kk1 h VAL 133 CO -0.29 0.49 0.00 0.00 0.02 0.00 0.00 177.57 177.78 2kk1 n GLN 134 N -3.91 1.88 0.00 1.57 6.02 0.27 -5.11 117.38 118.10 2kk1 n GLN 134 Ca -0.01 -1.06 0.12 0.00 -0.01 0.00 0.00 57.00 56.04 2kk1 n GLN 134 Cb 0.52 -1.38 0.10 0.00 1.02 0.00 0.00 30.24 30.49 2kk1 n GLN 134 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59