#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 -1.76 0.25 3.17 0.00 -1.26 -5.04 105.19 100.55 2kk1 n GLY 2 Ca 0.00 0.81 0.03 0.00 0.00 0.00 0.00 46.02 46.86 2kk1 n GLY 2 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2kk1 h HIS 3 N 0.00 0.07 0.00 1.61 -0.00 -2.08 0.63 115.15 115.37 2kk1 h HIS 3 Ca 0.00 0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.41 2kk1 h HIS 3 Cb 0.00 0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 27.48 2kk1 h HIS 3 CO 0.00 -0.14 -0.03 1.12 -0.00 0.00 0.00 177.93 178.88 2kk1 h HIS 4 N 0.17 0.00 -3.74 5.26 -0.00 -2.04 -3.42 115.15 111.38 2kk1 h HIS 4 Ca 0.36 0.00 -0.64 0.00 -0.00 0.00 0.00 60.37 60.09 2kk1 h HIS 4 Cb 0.60 0.00 -0.16 0.00 -0.00 0.00 0.00 27.41 27.86 2kk1 h HIS 4 CO -0.33 0.03 -0.31 -1.58 -0.00 0.00 0.00 177.93 175.74 2kk1 s HIS 5 N -4.19 3.23 -0.08 6.12 2.46 0.21 -4.76 115.29 118.28 2kk1 s HIS 5 Ca -0.04 0.23 -0.06 0.00 0.47 0.00 0.00 55.06 55.66 2kk1 s HIS 5 Cb 0.13 -2.56 0.02 0.00 -0.13 0.00 0.00 32.58 30.04 2kk1 s HIS 5 CO 0.50 -0.28 0.12 1.58 -2.47 0.00 0.00 174.74 174.19 2kk1 n HIS 6 N 5.30 -3.34 -3.32 3.88 -0.00 -1.26 -4.88 115.22 111.59 2kk1 n HIS 6 Ca -0.10 1.96 -0.08 0.00 0.46 0.00 0.00 57.72 59.97 2kk1 n HIS 6 Cb 0.51 -3.29 -0.07 0.00 -0.12 0.00 0.00 29.99 27.02 2kk1 n HIS 6 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kk1 s HIS 7 N -0.46 -0.94 0.16 1.57 0.00 -1.26 -4.99 115.29 109.38 2kk1 s HIS 7 Ca -0.14 0.82 -0.23 0.00 -3.00 0.00 0.00 55.06 52.51 2kk1 s HIS 7 Cb 0.01 0.04 -0.08 0.00 -4.00 0.00 0.00 32.58 28.55 2kk1 s HIS 7 CO 0.38 -0.79 0.74 -1.58 -1.00 0.00 0.00 174.74 172.49 2kk1 s HIS 8 N 2.58 3.84 0.09 0.38 2.46 -1.26 -5.03 115.29 118.34 2kk1 s HIS 8 Ca 0.13 1.53 -0.31 0.00 0.47 0.00 0.00 55.06 56.88 2kk1 s HIS 8 Cb -0.15 -2.70 -0.07 0.00 -0.13 0.00 0.00 32.58 29.53 2kk1 s HIS 8 CO -0.19 0.49 1.39 -1.12 -2.47 0.00 0.00 174.74 172.83 2kk1 s SER 9 N -1.25 6.84 -0.43 9.88 0.01 -1.26 -4.97 113.70 122.53 2kk1 s SER 9 Ca 0.36 2.26 -0.29 0.00 1.31 0.00 0.00 55.95 59.60 2kk1 s SER 9 Cb -0.21 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.45 2kk1 s SER 9 CO 0.24 -0.66 1.39 -2.28 0.41 0.00 0.00 173.24 172.34 2kk1 s HIS 10 N 1.40 2.42 -0.38 2.43 5.65 -1.26 -4.96 115.29 120.59 2kk1 s HIS 10 Ca 0.64 0.66 -0.28 0.00 0.25 0.00 0.00 55.06 56.33 2kk1 s HIS 10 Cb -0.35 -4.33 -0.02 0.00 -1.18 0.00 0.00 32.58 26.70 2kk1 s HIS 10 CO 0.29 -1.92 1.79 0.00 -0.65 0.00 0.00 174.74 174.26 2kk1 s MET 11 N 4.95 3.21 0.55 2.88 0.00 -1.26 -4.98 119.30 124.64 2kk1 s MET 11 Ca 0.60 1.26 0.03 0.00 0.00 0.00 0.00 55.69 57.58 2kk1 s MET 11 Cb -0.13 -4.22 0.03 0.00 0.00 0.00 0.00 34.83 30.50 2kk1 s MET 11 CO 0.32 -2.01 0.23 0.00 0.00 0.00 0.00 175.02 173.57 2kk1 s ALA 12 N 7.25 4.40 -0.19 3.16 0.00 -1.26 -5.12 121.76 130.00 2kk1 s ALA 12 Ca 0.77 -0.68 -0.16 0.00 0.00 0.00 0.00 51.96 51.88 2kk1 s ALA 12 Cb -0.20 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 2kk1 s ALA 12 CO 0.31 -0.27 0.40 -0.80 0.00 0.00 0.00 175.76 175.41 2kk1 s ASN 13 N -4.13 6.48 0.00 0.00 0.01 -1.26 -4.92 114.94 111.11 2kk1 s ASN 13 Ca 0.19 0.56 0.00 0.00 -0.71 0.00 0.00 52.86 52.90 2kk1 s ASN 13 Cb -0.01 -2.24 0.00 0.00 0.41 0.00 0.00 41.25 39.41 2kk1 s ASN 13 CO 0.12 -0.05 0.00 0.61 -1.51 0.00 0.00 177.10 176.27 2kk1 n GLY 14 N 3.77 1.38 1.28 0.66 0.00 -1.26 -5.06 105.19 105.96 2kk1 n GLY 14 Ca -0.08 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 2kk1 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk1 n ALA 15 N 0.00 4.45 -1.79 4.61 0.00 -1.26 -5.05 120.51 121.48 2kk1 n ALA 15 Ca 0.00 -3.35 -0.42 0.00 0.00 0.00 0.00 53.44 49.67 2kk1 n ALA 15 Cb 0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 2kk1 n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kk1 s ALA 16 N -3.36 3.86 -0.34 0.00 0.00 -1.26 -4.86 121.76 115.79 2kk1 s ALA 16 Ca 0.46 1.49 0.17 0.00 0.00 0.00 0.00 51.96 54.08 2kk1 s ALA 16 Cb 0.41 -3.69 0.92 0.00 0.00 0.00 0.00 23.12 20.75 2kk1 s ALA 16 CO -0.01 -0.95 1.51 0.41 0.00 0.00 0.00 175.76 176.72 2kk1 n GLY 17 N 3.97 -0.78 0.12 0.00 0.00 -1.26 -1.74 105.19 105.51 2kk1 n GLY 17 Ca 0.16 0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.09 1.16 0.25 2.61 -1.04 -1.26 -1.71 114.28 112.20 2kk1 n THR 18 Ca -0.01 0.60 0.13 0.00 -2.04 0.00 0.00 64.05 62.72 2kk1 n THR 18 Cb 0.04 -1.58 0.61 0.00 -1.82 0.00 0.00 70.33 67.59 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 -4.41 -2.82 2.10 -1.72 -3.38 116.57 106.34 2kk1 h LYS 19 Ca 0.00 0.00 -0.75 0.00 -2.00 0.00 0.00 60.65 57.90 2kk1 h LYS 19 Cb 0.07 0.00 -0.20 0.00 -0.90 0.00 0.00 32.23 31.20 2kk1 h LYS 19 CO 0.00 0.15 1.23 0.28 -2.00 0.00 0.00 179.45 179.11 2kk1 n VAL 20 N -3.40 4.34 0.14 0.07 0.31 -0.69 -4.78 118.33 114.32 2kk1 n VAL 20 Ca -0.01 -4.85 0.00 0.00 -0.01 0.00 0.00 64.34 59.48 2kk1 n VAL 20 Cb 0.33 -2.47 0.18 0.00 -0.91 0.00 0.00 33.84 30.97 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 6.90 0.90 0.00 3.52 0.00 -1.86 -3.26 119.26 125.47 2kk1 h ALA 21 Ca 0.30 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2kk1 h ALA 21 Cb 0.85 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2kk1 h ALA 21 CO 1.23 0.73 0.00 1.28 0.00 0.00 0.00 179.25 182.49 2kk1 n LEU 22 N -3.65 1.65 -1.15 0.00 4.77 -1.26 -4.34 117.00 113.02 2kk1 n LEU 22 Ca -0.01 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 2kk1 n LEU 22 Cb 0.62 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2kk1 n LEU 22 CO 0.41 0.30 0.52 -2.11 -1.33 0.00 0.00 177.39 175.19 2kk1 n ARG 23 N 0.37 0.83 -0.06 3.23 1.85 -1.23 -3.64 116.66 118.01 2kk1 n ARG 23 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.80 2kk1 n ARG 23 Cb 0.30 -1.08 -0.15 0.00 -1.05 0.00 0.00 32.46 30.48 2kk1 n ARG 23 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2kk1 n LYS 24 N 0.84 0.67 -2.35 2.89 4.76 -1.26 -5.01 118.16 118.70 2kk1 n LYS 24 Ca 0.00 0.02 -0.25 0.00 -2.87 0.00 0.00 58.31 55.21 2kk1 n LYS 24 Cb 0.42 -1.58 0.11 0.00 -1.84 0.00 0.00 35.03 32.13 2kk1 n LYS 24 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2kk1 s THR 25 N -2.73 2.20 0.67 -0.18 -1.32 -1.24 -5.07 115.64 107.97 2kk1 s THR 25 Ca -0.08 -0.39 -0.14 0.00 -1.21 0.00 0.00 61.69 59.87 2kk1 s THR 25 Cb 0.08 -2.81 0.00 0.00 -1.51 0.00 0.00 72.50 68.26 2kk1 s THR 25 CO 0.84 0.00 1.09 -0.54 -2.21 0.00 0.00 174.62 173.81 2kk1 s LYS 26 N -5.29 2.81 0.00 7.08 1.02 -1.26 -4.99 119.74 119.10 2kk1 s LYS 26 Ca 0.65 1.29 0.00 0.00 0.02 0.00 0.00 55.97 57.93 2kk1 s LYS 26 Cb -0.07 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 2kk1 s LYS 26 CO 0.46 -1.23 0.00 0.00 -0.92 0.00 0.00 175.35 173.66 2kk1 n GLN 27 N -2.58 0.00 -3.54 1.68 10.64 -1.26 -5.14 117.38 117.17 2kk1 n GLN 27 Ca 0.10 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.17 2kk1 n GLN 27 Cb 0.52 -0.43 -0.04 0.00 -0.86 0.00 0.00 30.24 29.44 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 -1.64 -1.88 0.35 2.61 0.00 -1.26 -5.02 121.76 114.91 2kk1 s ALA 28 Ca 0.00 1.33 0.34 0.00 0.00 0.00 0.00 51.96 53.63 2kk1 s ALA 28 Cb 0.00 -0.16 1.88 0.00 0.00 0.00 0.00 23.12 24.84 2kk1 s ALA 28 CO 0.00 -0.49 2.05 0.00 0.00 0.00 0.00 175.76 177.32 2kk1 h ALA 29 N 2.31 1.04 0.00 0.00 0.00 -2.00 -0.38 119.26 120.22 2kk1 h ALA 29 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2kk1 h ALA 29 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2kk1 h ALA 29 CO 0.31 -0.04 0.00 0.39 0.00 0.00 0.00 179.25 179.91 2kk1 n GLU 30 N -2.74 0.06 0.00 0.00 -0.58 -1.26 -3.74 120.64 112.37 2kk1 n GLU 30 Ca -0.02 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 2kk1 n GLU 30 Cb 0.10 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 2kk1 n GLU 30 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2kk1 n LYS 31 N -1.44 4.32 -2.39 3.49 3.00 -0.24 -5.09 118.16 119.82 2kk1 n LYS 31 Ca 0.04 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.94 2kk1 n LYS 31 Cb 0.15 -0.36 -0.03 0.00 0.00 0.00 0.00 35.03 34.78 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 -0.00 3.78 0.05 3.15 1.01 -0.67 -4.96 121.20 123.55 2kk1 s ILE 32 Ca 0.00 1.37 -0.22 0.00 0.00 0.00 0.00 60.65 61.80 2kk1 s ILE 32 Cb 0.00 -3.88 -0.14 0.00 0.01 0.00 0.00 42.46 38.45 2kk1 s ILE 32 CO 0.00 0.16 1.48 0.77 0.00 0.00 0.00 174.94 177.35 2kk1 h SER 33 N 6.05 0.18 -0.40 3.58 4.64 -1.92 -3.23 113.55 122.45 2kk1 h SER 33 Ca -0.43 -0.30 0.08 0.00 -0.47 0.00 0.00 61.79 60.67 2kk1 h SER 33 Cb 1.21 -0.05 -0.09 0.00 -0.31 0.00 0.00 62.40 63.17 2kk1 h SER 33 CO 0.78 0.44 -0.21 0.00 -0.87 0.00 0.00 176.83 176.97 2kk1 h ALA 34 N 0.75 0.07 0.00 5.18 0.00 -1.93 0.51 119.26 123.85 2kk1 h ALA 34 Ca 0.03 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2kk1 h ALA 34 Cb 0.34 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2kk1 h ALA 34 CO 0.00 -0.58 0.00 -0.44 0.00 0.00 0.00 179.25 178.24 2kk1 h ASP 35 N -0.14 0.00 0.78 0.00 5.19 -1.87 -1.77 116.42 118.62 2kk1 h ASP 35 Ca 0.19 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.36 2kk1 h ASP 35 Cb 0.44 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.92 2kk1 h ASP 35 CO -0.48 0.00 -1.24 0.50 -3.12 0.00 0.00 179.24 174.90 2kk1 h LYS 36 N 0.00 0.07 -6.24 3.56 3.11 -0.95 -3.45 116.57 112.67 2kk1 h LYS 36 Ca 0.00 -0.12 -0.56 0.00 -2.81 0.00 0.00 60.65 57.16 2kk1 h LYS 36 Cb 0.21 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.47 2kk1 h LYS 36 CO 0.00 0.95 1.22 0.42 -2.81 0.00 0.00 179.45 179.23 2kk1 s ILE 37 N -2.67 3.45 0.04 2.00 -1.09 -0.67 -4.99 121.20 117.26 2kk1 s ILE 37 Ca -0.02 0.50 0.02 0.00 -2.23 0.00 0.00 60.65 58.92 2kk1 s ILE 37 Cb 0.09 -3.46 -0.04 0.00 -1.58 0.00 0.00 42.46 37.47 2kk1 s ILE 37 CO 0.83 -0.19 0.05 -0.44 -1.23 0.00 0.00 174.94 173.96 2kk1 s SER 38 N 5.06 5.38 0.16 3.58 0.01 -1.26 -4.79 113.70 121.84 2kk1 s SER 38 Ca 0.80 0.01 -0.17 0.00 1.31 0.00 0.00 55.95 57.89 2kk1 s SER 38 Cb -0.29 -1.44 0.08 0.00 0.21 0.00 0.00 66.02 64.58 2kk1 s SER 38 CO 0.32 0.23 1.68 0.50 0.41 0.00 0.00 173.24 176.38 2kk1 h LYS 39 N 3.82 0.02 -0.56 12.44 3.64 -1.98 -1.91 116.57 132.03 2kk1 h LYS 39 Ca -0.48 -0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.00 2kk1 h LYS 39 Cb 1.17 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.91 2kk1 h LYS 39 CO 0.62 0.01 0.13 1.05 -2.27 0.00 0.00 179.45 178.99 2kk1 h GLU 40 N 0.02 0.26 -0.32 1.90 4.11 -1.99 -1.48 114.58 117.08 2kk1 h GLU 40 Ca 0.18 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.59 2kk1 h GLU 40 Cb 0.27 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2kk1 h GLU 40 CO -0.37 0.17 0.17 0.00 0.07 0.00 0.00 179.01 179.05 2kk1 h ALA 41 N 1.44 0.41 -0.08 1.06 0.00 -1.81 -1.83 119.26 118.44 2kk1 h ALA 41 Ca 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2kk1 h ALA 41 Cb 0.41 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kk1 h ALA 41 CO -0.36 -0.05 0.05 1.25 0.00 0.00 0.00 179.25 180.13 2kk1 h LEU 42 N 0.39 0.10 -0.40 0.00 6.46 -1.02 -1.96 115.31 118.88 2kk1 h LEU 42 Ca 0.11 -0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.88 2kk1 h LEU 42 Cb 0.08 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 39.95 2kk1 h LEU 42 CO -0.02 0.09 0.19 -0.07 -0.62 0.00 0.00 178.44 178.01 2kk1 h LEU 43 N 0.09 0.26 -0.06 2.25 3.38 -1.17 0.23 115.31 120.29 2kk1 h LEU 43 Ca 0.03 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2kk1 h LEU 43 Cb 0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2kk1 h LEU 43 CO -0.01 0.19 -0.04 -0.33 0.09 0.00 0.00 178.44 178.34 2kk1 h GLU 44 N 0.38 -0.04 -0.36 1.13 4.39 -1.20 -0.27 114.58 118.62 2kk1 h GLU 44 Ca 0.17 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.82 2kk1 h GLU 44 Cb 0.09 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2kk1 h GLU 44 CO -0.13 -0.03 -0.02 0.00 -1.16 0.00 0.00 179.01 177.67 2kk1 h ALA 46 N 1.45 0.66 0.00 0.00 0.00 -0.64 -2.79 119.26 117.95 2kk1 h ALA 46 Ca 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2kk1 h ALA 46 Cb 0.38 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kk1 h ALA 46 CO 0.01 0.47 -0.05 0.22 0.00 0.00 0.00 179.25 179.91 2kk1 h ASP 47 N 0.73 0.00 -0.81 0.00 3.58 -0.68 -2.02 116.42 117.22 2kk1 h ASP 47 Ca 0.14 0.00 0.08 0.00 0.42 0.00 0.00 57.03 57.67 2kk1 h ASP 47 Cb 0.52 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.50 2kk1 h ASP 47 CO 0.03 0.05 0.47 -0.07 -2.88 0.00 0.00 179.24 176.84 2kk1 h LEU 48 N 0.00 0.70 -0.11 2.28 3.38 -1.17 0.28 115.31 120.67 2kk1 h LEU 48 Ca -0.00 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2kk1 h LEU 48 Cb 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2kk1 h LEU 48 CO 0.01 0.43 -0.21 -0.07 0.09 0.00 0.00 178.44 178.68 2kk1 h LEU 49 N 0.83 0.38 -1.16 1.67 4.07 -1.46 0.44 115.31 120.08 2kk1 h LEU 49 Ca 0.37 -0.55 0.13 0.00 0.08 0.00 0.00 57.88 57.91 2kk1 h LEU 49 Cb 0.27 -0.11 -0.08 0.00 1.08 0.00 0.00 40.66 41.82 2kk1 h LEU 49 CO -0.21 0.86 0.60 -1.28 -1.08 0.00 0.00 178.44 177.33 2kk1 h SER 50 N -0.08 0.79 0.01 -0.43 0.87 -1.16 -0.89 113.55 112.66 2kk1 h SER 50 Ca 0.01 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 2kk1 h SER 50 Cb 0.79 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2kk1 h SER 50 CO 0.05 0.42 -0.08 0.28 -0.53 0.00 0.00 176.83 176.97 2kk1 h SER 51 N 0.85 0.06 -0.83 6.23 0.02 -0.42 -3.37 113.55 116.09 2kk1 h SER 51 Ca 0.46 -0.85 0.02 0.00 -0.84 0.00 0.00 61.79 60.58 2kk1 h SER 51 Cb 0.57 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.05 2kk1 h SER 51 CO -0.23 0.91 0.55 0.00 -1.14 0.00 0.00 176.83 176.92 2kk1 h ALA 52 N 0.16 1.45 0.00 3.77 0.00 -0.58 -1.94 119.26 122.12 2kk1 h ALA 52 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2kk1 h ALA 52 Cb 0.92 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2kk1 h ALA 52 CO 0.02 0.49 0.00 1.28 0.00 0.00 0.00 179.25 181.04 2kk1 n LEU 53 N -4.43 0.48 -0.42 0.00 4.77 -0.37 -1.51 117.00 115.52 2kk1 n LEU 53 Ca 0.10 0.65 0.13 0.00 -0.03 0.00 0.00 56.01 56.86 2kk1 n LEU 53 Cb 0.06 -0.63 0.34 0.00 -2.33 0.00 0.00 43.42 40.87 2kk1 n LEU 53 CO 0.36 -0.62 0.67 0.35 -1.33 0.00 0.00 177.39 176.82 2kk1 n THR 54 N -2.07 0.00 -4.13 -5.08 -2.24 -0.73 -4.67 114.28 95.37 2kk1 n THR 54 Ca 0.01 -0.22 -0.09 0.00 -2.27 0.00 0.00 64.05 61.48 2kk1 n THR 54 Cb 0.15 0.66 -0.10 0.00 -2.10 0.00 0.00 70.33 68.93 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 -2.29 0.72 0.02 -0.78 -1.05 -0.57 -5.07 118.70 109.68 2kk1 s GLU 55 Ca 0.28 -1.27 -0.30 0.00 -0.15 0.00 0.00 54.97 53.53 2kk1 s GLU 55 Cb 0.20 -0.00 -0.08 0.00 -0.44 0.00 0.00 34.13 33.81 2kk1 s GLU 55 CO 0.45 -0.06 1.87 -2.14 0.95 0.00 0.00 175.26 176.33 2kk1 s PRO 56 N -3.85 4.15 -0.02 -4.83 0.02 -1.26 -4.62 135.00 124.59 2kk1 s PRO 56 Ca 0.09 2.50 -0.05 0.00 0.02 0.00 0.00 61.00 63.56 2kk1 s PRO 56 Cb 0.06 -4.06 0.00 0.00 0.02 0.00 0.00 34.50 30.52 2kk1 s PRO 56 CO -0.07 -0.91 0.10 0.14 -0.33 0.00 0.00 177.00 175.93 2kk1 s VAL 57 N 4.19 0.05 0.17 3.83 -7.23 -1.24 -5.01 120.40 115.15 2kk1 s VAL 57 Ca 0.84 -0.39 -0.32 0.00 -1.81 0.00 0.00 61.98 60.30 2kk1 s VAL 57 Cb -0.40 -0.28 -0.11 0.00 0.56 0.00 0.00 36.38 36.15 2kk1 s VAL 57 CO 0.38 -0.21 1.76 -2.16 -0.31 0.00 0.00 175.10 174.56 2kk1 s PRO 58 N -0.69 4.14 0.35 4.82 0.04 -1.26 -4.14 135.00 138.26 2kk1 s PRO 58 Ca -0.08 2.58 0.11 0.00 0.04 0.00 0.00 61.00 63.66 2kk1 s PRO 58 Cb -0.05 -3.32 0.90 0.00 0.04 0.00 0.00 34.50 32.08 2kk1 s PRO 58 CO 0.00 -0.78 1.80 -0.91 0.04 0.00 0.00 177.00 177.15 2kk1 h ASN 59 N 7.62 0.62 -0.93 6.66 2.35 -1.62 0.20 115.58 130.47 2kk1 h ASN 59 Ca -0.44 0.08 0.03 0.00 -0.55 0.00 0.00 56.30 55.42 2kk1 h ASN 59 Cb 1.21 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 39.50 2kk1 h ASN 59 CO 0.95 0.21 0.61 -1.28 -1.65 0.00 0.00 177.43 176.27 2kk1 h SER 60 N 0.60 1.02 -0.66 5.81 0.87 -1.90 -1.53 113.55 117.74 2kk1 h SER 60 Ca 0.55 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 61.04 2kk1 h SER 60 Cb 1.09 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.78 2kk1 h SER 60 CO -0.31 0.70 0.20 -0.61 -0.53 0.00 0.00 176.83 176.28 2kk1 h GLN 61 N 1.18 1.06 0.08 2.24 4.15 -0.97 -0.04 115.11 122.81 2kk1 h GLN 61 Ca 0.37 -0.23 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 2kk1 h GLN 61 Cb 0.00 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.54 2kk1 h GLN 61 CO -0.11 0.92 -0.04 -0.07 -1.93 0.00 0.00 178.83 177.60 2kk1 h LEU 62 N 1.02 -0.09 -0.82 -2.39 3.38 -1.00 0.12 115.31 115.53 2kk1 h LEU 62 Ca 0.22 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.11 2kk1 h LEU 62 Cb 0.31 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2kk1 h LEU 62 CO -0.01 0.04 0.54 0.58 0.09 0.00 0.00 178.44 179.68 2kk1 h VAL 63 N -0.20 1.21 0.40 1.22 2.07 -1.16 0.22 116.25 120.00 2kk1 h VAL 63 Ca -0.01 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2kk1 h VAL 63 Cb 0.17 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 2kk1 h VAL 63 CO 0.02 0.21 -0.19 -0.78 0.02 0.00 0.00 177.57 176.84 2kk1 h ASP 64 N 1.11 -0.46 -0.37 0.57 3.58 -0.88 -2.04 116.42 117.93 2kk1 h ASP 64 Ca 0.30 -0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.74 2kk1 h ASP 64 Cb -0.12 0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2kk1 h ASP 64 CO -0.06 -0.25 0.25 0.74 -2.88 0.00 0.00 179.24 177.03 2kk1 h THR 65 N -0.64 1.03 -0.29 2.25 2.02 -0.85 0.33 112.91 116.75 2kk1 h THR 65 Ca -0.06 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 2kk1 h THR 65 Cb 0.47 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 2kk1 h THR 65 CO 0.09 0.07 0.03 1.23 0.37 0.00 0.00 175.52 177.31 2kk1 h GLY 66 N 0.39 0.46 0.73 2.16 0.00 -0.69 -3.10 103.07 103.03 2kk1 h GLY 66 Ca 0.15 -0.25 0.04 0.00 0.00 0.00 0.00 47.33 47.27 2kk1 h GLY 66 CO -0.03 0.23 0.24 0.45 0.00 0.00 0.00 176.54 177.43 2kk1 h HIS 67 N 0.42 0.45 -0.11 5.60 -0.00 -0.19 -1.60 115.15 119.72 2kk1 h HIS 67 Ca 0.10 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.44 2kk1 h HIS 67 Cb 0.24 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 2kk1 h HIS 67 CO 0.01 0.22 -0.16 -0.56 -0.00 0.00 0.00 177.93 177.43 2kk1 h GLN 68 N 0.48 0.17 -0.54 2.45 3.07 -1.56 -2.05 115.11 117.13 2kk1 h GLN 68 Ca 0.21 -0.04 -0.01 0.00 0.09 0.00 0.00 58.65 58.90 2kk1 h GLN 68 Cb 0.12 -0.02 -0.03 0.00 0.08 0.00 0.00 27.48 27.64 2kk1 h GLN 68 CO -0.15 0.34 0.29 -0.07 0.09 0.00 0.00 178.83 179.33 2kk1 h LEU 69 N 0.16 0.68 -1.08 0.06 -0.00 -1.31 0.34 115.31 114.17 2kk1 h LEU 69 Ca 0.03 -0.10 0.08 0.00 -0.00 0.00 0.00 57.88 57.90 2kk1 h LEU 69 Cb 0.39 -0.17 -0.07 0.00 -0.00 0.00 0.00 40.66 40.81 2kk1 h LEU 69 CO 0.02 0.58 0.62 -0.07 -0.00 0.00 0.00 178.44 179.59 2kk1 h LEU 70 N 0.72 0.94 0.25 1.67 -0.00 -0.75 0.74 115.31 118.88 2kk1 h LEU 70 Ca 0.19 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 58.08 2kk1 h LEU 70 Cb 0.06 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.54 2kk1 h LEU 70 CO -0.03 0.58 -0.12 -0.78 -0.00 0.00 0.00 178.44 178.09 2kk1 h ASP 71 N 1.05 -0.28 -0.71 -0.43 3.58 -0.70 -0.20 116.42 118.73 2kk1 h ASP 71 Ca 0.43 -0.14 0.05 0.00 0.42 0.00 0.00 57.03 57.80 2kk1 h ASP 71 Cb 0.28 0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.35 2kk1 h ASP 71 CO -0.18 -0.02 0.42 1.88 -2.88 0.00 0.00 179.24 178.45 2kk1 h TYR 72 N -0.54 0.77 -0.31 0.28 0.05 -0.72 -2.47 116.97 114.04 2kk1 h TYR 72 Ca -0.03 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 2kk1 h TYR 72 Cb 0.40 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 2kk1 h TYR 72 CO -0.00 0.40 0.15 0.00 -1.05 0.00 0.00 178.16 177.65 2kk1 h SER 74 N 0.37 0.26 0.00 0.00 0.87 -0.75 -2.30 113.55 112.00 2kk1 h SER 74 Ca 0.11 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.49 2kk1 h SER 74 Cb 0.13 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 2kk1 h SER 74 CO -0.01 0.18 -0.93 1.23 -0.53 0.00 0.00 176.83 176.77 2kk1 h GLY 75 N 0.31 0.01 0.91 5.77 0.00 -1.17 -3.39 103.07 105.51 2kk1 h GLY 75 Ca 0.10 -0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.47 2kk1 h GLY 75 CO -0.02 0.02 0.58 -1.82 0.00 0.00 0.00 176.54 175.30 2kk1 h TYR 76 N -0.98 1.05 0.00 5.60 3.20 -0.51 -1.54 116.97 123.79 2kk1 h TYR 76 Ca -0.26 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.64 2kk1 h TYR 76 Cb 1.24 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 39.16 2kk1 h TYR 76 CO 0.15 0.57 -0.03 -0.24 -1.64 0.00 0.00 178.16 176.98 2kk1 h VAL 77 N 1.06 0.83 -0.21 1.81 3.04 -1.62 0.11 116.25 121.27 2kk1 h VAL 77 Ca 0.37 -0.10 -0.06 0.00 -1.01 0.00 0.00 66.70 65.91 2kk1 h VAL 77 Cb 0.13 1.05 -0.01 0.00 -2.01 0.00 0.00 31.29 30.45 2kk1 h VAL 77 CO -0.13 0.03 -0.12 -0.78 -1.01 0.00 0.00 177.57 175.55 2kk1 h ASP 78 N 0.00 0.33 -0.03 3.17 3.58 -1.46 -2.68 116.42 119.32 2kk1 h ASP 78 Ca -0.00 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2kk1 h ASP 78 Cb 0.05 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.02 2kk1 h ASP 78 CO 0.00 0.48 0.00 0.00 -2.88 0.00 0.00 179.24 176.85 2kk1 s ILE 80 N -1.97 4.91 0.08 0.00 1.01 -1.01 -4.95 121.20 119.27 2kk1 s ILE 80 Ca 0.38 0.28 0.07 0.00 0.00 0.00 0.00 60.65 61.38 2kk1 s ILE 80 Cb 0.21 -4.10 -0.22 0.00 0.01 0.00 0.00 42.46 38.36 2kk1 s ILE 80 CO 0.33 -0.41 1.12 1.55 0.00 0.00 0.00 174.94 177.53 2kk1 h PRO 81 N 8.64 0.02 -6.06 2.79 0.13 -1.87 -3.44 132.00 132.21 2kk1 h PRO 81 Ca -0.26 -0.04 -0.51 0.00 -0.87 0.00 0.00 66.00 64.32 2kk1 h PRO 81 Cb 1.11 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 2kk1 h PRO 81 CO 0.84 0.90 1.31 -0.65 -0.23 0.00 0.00 178.00 180.17 2kk1 s GLN 82 N -2.68 2.78 0.42 0.86 1.11 -1.26 -4.86 119.66 116.03 2kk1 s GLN 82 Ca -0.01 0.62 0.09 0.00 0.01 0.00 0.00 55.36 56.08 2kk1 s GLN 82 Cb 0.09 -4.34 0.89 0.00 -1.01 0.00 0.00 33.01 28.65 2kk1 s GLN 82 CO 0.83 -2.55 2.01 1.15 0.01 0.00 0.00 175.29 176.73 2kk1 h THR 83 N 6.78 1.12 -0.02 -0.19 2.02 -1.97 0.11 112.91 120.76 2kk1 h THR 83 Ca -0.27 -0.41 0.03 0.00 0.77 0.00 0.00 66.41 66.53 2kk1 h THR 83 Cb 1.15 0.89 -0.06 0.00 -1.74 0.00 0.00 68.15 68.39 2kk1 h THR 83 CO 1.20 0.15 -0.39 0.03 0.37 0.00 0.00 175.52 176.87 2kk1 h ARG 84 N 0.33 -0.52 -0.02 6.66 3.08 -1.99 0.12 114.38 122.04 2kk1 h ARG 84 Ca 0.08 0.04 -0.18 0.00 0.07 0.00 0.00 59.98 59.99 2kk1 h ARG 84 Cb 0.14 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2kk1 h ARG 84 CO -0.00 -0.34 -0.77 -0.91 -1.07 0.00 0.00 179.97 176.87 2kk1 h ASN 85 N -0.54 0.22 -0.11 7.04 2.35 -1.88 -3.08 115.58 119.58 2kk1 h ASN 85 Ca 0.06 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2kk1 h ASN 85 Cb 0.63 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 2kk1 h ASN 85 CO -0.32 0.91 0.07 0.50 -1.65 0.00 0.00 177.43 176.94 2kk1 h LYS 86 N 0.11 0.14 -0.00 0.81 3.64 -0.37 0.19 116.57 121.09 2kk1 h LYS 86 Ca -0.03 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2kk1 h LYS 86 Cb 1.35 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2kk1 h LYS 86 CO 0.12 0.09 0.00 0.35 -2.27 0.00 0.00 179.45 177.74 2kk1 h PHE 87 N 0.15 0.00 -0.99 1.91 3.57 -0.85 -0.60 116.94 120.14 2kk1 h PHE 87 Ca 0.04 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.65 2kk1 h PHE 87 Cb -0.01 -0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.64 2kk1 h PHE 87 CO -0.07 0.21 0.62 0.00 -2.23 0.00 0.00 178.31 176.83 2kk1 h ALA 88 N 0.80 1.47 -0.41 2.41 0.00 -1.45 -0.06 119.26 122.02 2kk1 h ALA 88 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2kk1 h ALA 88 Cb 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2kk1 h ALA 88 CO -0.00 0.24 0.22 0.35 0.00 0.00 0.00 179.25 180.06 2kk1 h PHE 89 N 1.00 0.57 -0.32 0.00 3.57 -0.35 0.33 116.94 121.75 2kk1 h PHE 89 Ca 0.48 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.95 2kk1 h PHE 89 Cb 0.45 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2kk1 h PHE 89 CO -0.01 0.45 0.15 0.00 -2.23 0.00 0.00 178.31 176.67 2kk1 h ARG 90 N 0.53 0.46 -0.24 1.11 2.47 0.02 -0.87 114.38 117.87 2kk1 h ARG 90 Ca 0.14 -0.07 -0.13 0.00 -1.26 0.00 0.00 59.98 58.66 2kk1 h ARG 90 Cb 0.07 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 2kk1 h ARG 90 CO -0.02 0.43 -0.41 1.05 0.56 0.00 0.00 179.97 181.58 2kk1 h GLU 91 N 0.38 0.56 -0.75 0.04 -0.00 -0.99 -2.60 114.58 111.22 2kk1 h GLU 91 Ca 0.11 -0.29 0.00 0.00 -0.00 0.00 0.00 59.36 59.19 2kk1 h GLU 91 Cb 0.12 0.01 -0.04 0.00 -0.00 0.00 0.00 28.75 28.84 2kk1 h GLU 91 CO -0.01 0.87 0.48 0.00 -0.00 0.00 0.00 179.01 180.35 2kk1 h ALA 92 N 1.09 0.95 -1.01 1.06 0.00 -0.75 -1.74 119.26 118.87 2kk1 h ALA 92 Ca 0.04 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.98 2kk1 h ALA 92 Cb 0.91 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 2kk1 h ALA 92 CO 0.08 0.39 0.64 0.28 0.00 0.00 0.00 179.25 180.64 2kk1 h VAL 93 N 1.02 1.00 -0.60 0.00 2.07 -0.93 -1.70 116.25 117.11 2kk1 h VAL 93 Ca 0.27 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.47 2kk1 h VAL 93 Cb -0.09 -0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 29.45 2kk1 h VAL 93 CO -0.06 0.20 0.33 -1.28 0.02 0.00 0.00 177.57 176.79 2kk1 h SER 94 N 1.09 0.50 -0.85 0.57 0.87 -0.95 -1.33 113.55 113.45 2kk1 h SER 94 Ca 0.47 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 61.08 2kk1 h SER 94 Cb 0.33 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.16 2kk1 h SER 94 CO -0.22 0.34 0.55 0.11 -0.53 0.00 0.00 176.83 177.08 2kk1 h LYS 95 N 0.64 1.04 0.20 2.24 6.56 -0.91 -1.46 116.57 124.87 2kk1 h LYS 95 Ca 0.26 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.78 2kk1 h LYS 95 Cb 0.13 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 31.56 2kk1 h LYS 95 CO -0.15 0.69 -0.09 1.25 -2.06 0.00 0.00 179.45 179.08 2kk1 h LEU 96 N 1.07 -0.22 -1.08 2.94 5.85 -0.84 -1.68 115.31 121.35 2kk1 h LEU 96 Ca 0.34 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 2kk1 h LEU 96 Cb -0.00 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2kk1 h LEU 96 CO -0.11 0.04 0.22 1.05 -0.34 0.00 0.00 178.44 179.29 2kk1 h GLU 97 N -0.49 0.87 -0.58 1.25 4.11 -1.17 -0.45 114.58 118.12 2kk1 h GLU 97 Ca -0.03 -0.15 -0.07 0.00 0.07 0.00 0.00 59.36 59.18 2kk1 h GLU 97 Cb 0.37 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2kk1 h GLU 97 CO 0.04 0.73 0.08 -0.07 0.07 0.00 0.00 179.01 179.87 2kk1 h LEU 98 N 0.86 0.94 -0.75 3.06 3.38 -1.25 -2.44 115.31 119.10 2kk1 h LEU 98 Ca 0.20 -0.27 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 2kk1 h LEU 98 Cb 0.20 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2kk1 h LEU 98 CO -0.01 0.97 -0.41 0.28 0.09 0.00 0.00 178.44 179.35 2kk1 h SER 99 N 0.87 0.48 -0.50 -0.43 0.02 -0.80 -2.69 113.55 110.51 2kk1 h SER 99 Ca 0.18 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 60.84 2kk1 h SER 99 Cb 0.44 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 2kk1 h SER 99 CO 0.01 0.84 0.04 -0.07 -1.14 0.00 0.00 176.83 176.52 2kk1 h LEU 100 N 0.38 0.83 -0.54 5.07 3.38 -0.97 -0.90 115.31 122.56 2kk1 h LEU 100 Ca 0.03 -0.29 -0.15 0.00 0.09 0.00 0.00 57.88 57.57 2kk1 h LEU 100 Cb 0.89 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2kk1 h LEU 100 CO 0.07 0.91 -0.45 0.06 0.09 0.00 0.00 178.44 179.13 2kk1 h GLN 101 N 0.72 0.67 -0.04 1.13 3.07 -1.41 -2.81 115.11 116.45 2kk1 h GLN 101 Ca 0.15 -0.37 -0.16 0.00 0.09 0.00 0.00 58.65 58.36 2kk1 h GLN 101 Cb 0.46 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.03 2kk1 h GLN 101 CO 0.02 0.98 -0.68 1.05 0.09 0.00 0.00 178.83 180.28 2kk1 h GLU 102 N 0.54 0.20 0.48 0.06 4.11 -1.45 -3.11 114.58 115.41 2kk1 h GLU 102 Ca 0.04 -0.16 -0.02 0.00 0.07 0.00 0.00 59.36 59.29 2kk1 h GLU 102 Cb 0.99 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2kk1 h GLU 102 CO 0.09 0.81 -0.33 1.25 0.07 0.00 0.00 179.01 180.90 2kk1 h LEU 103 N 0.14 -0.84 -0.77 3.06 5.85 -1.02 0.39 115.31 122.11 2kk1 h LEU 103 Ca -0.02 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.79 2kk1 h LEU 103 Cb 1.22 0.26 -0.05 0.00 0.37 0.00 0.00 40.66 42.47 2kk1 h LEU 103 CO 0.10 -0.50 0.49 0.06 -0.34 0.00 0.00 178.44 178.26 2kk1 h GLN 104 N -0.78 0.94 0.00 1.25 3.07 -1.57 0.62 115.11 118.65 2kk1 h GLN 104 Ca -0.05 -0.06 -0.06 0.00 0.09 0.00 0.00 58.65 58.57 2kk1 h GLN 104 Cb 0.65 -0.21 -0.01 0.00 0.08 0.00 0.00 27.48 27.99 2kk1 h GLN 104 CO 0.03 0.62 -0.28 -0.39 0.09 0.00 0.00 178.83 178.90 2kk1 h VAL 105 N 0.97 0.54 -0.30 1.86 -1.51 -1.49 -3.10 116.25 113.22 2kk1 h VAL 105 Ca 0.31 -1.51 0.00 0.00 -1.23 0.00 0.00 66.70 64.27 2kk1 h VAL 105 Cb -0.01 2.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 2kk1 h VAL 105 CO -0.10 0.27 0.00 -0.24 -1.23 0.00 0.00 177.57 176.27 2kk1 n SER 106 N -3.25 3.74 0.23 4.19 2.88 0.12 -4.78 113.62 116.75 2kk1 n SER 106 Ca 0.02 -2.76 -0.11 0.00 -1.33 0.00 0.00 58.87 54.69 2kk1 n SER 106 Cb 0.57 -0.48 -0.06 0.00 -0.75 0.00 0.00 64.21 63.49 2kk1 n SER 106 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2kk1 h SER 107 N 1.99 -0.75 0.00 -3.46 4.64 0.32 -3.45 113.55 112.84 2kk1 h SER 107 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2kk1 h SER 107 Cb 1.29 0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 2kk1 h SER 107 CO 0.18 -0.42 0.00 0.00 -0.87 0.00 0.00 176.83 175.72 2kk1 n ALA 108 N -2.50 0.00 -1.76 5.18 0.00 -1.26 -4.78 120.51 115.39 2kk1 n ALA 108 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.98 2kk1 n ALA 108 Cb 0.28 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.09 2.91 -0.02 0.00 0.00 -1.26 -4.97 121.76 118.33 2kk1 s ALA 109 Ca 0.00 1.20 -0.24 0.00 0.00 0.00 0.00 51.96 52.92 2kk1 s ALA 109 Cb 0.00 -3.50 -0.19 0.00 0.00 0.00 0.00 23.12 19.42 2kk1 s ALA 109 CO 0.00 -1.10 1.23 0.00 0.00 0.00 0.00 175.76 175.89 2kk1 h ALA 110 N 1.75 0.06 -0.02 0.00 0.00 -1.96 -3.44 119.26 115.66 2kk1 h ALA 110 Ca -0.50 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 53.94 2kk1 h ALA 110 Cb 1.28 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.92 2kk1 h ALA 110 CO 0.59 -0.10 -0.31 0.41 0.00 0.00 0.00 179.25 179.83 2kk1 n GLY 111 N 0.40 -0.69 3.22 0.00 0.00 -1.26 -1.75 105.19 105.11 2kk1 n GLY 111 Ca -0.08 0.50 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 2kk1 n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kk1 s VAL 112 N 0.48 2.23 0.41 1.61 1.01 -1.26 -3.65 120.40 121.24 2kk1 s VAL 112 Ca 0.30 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 61.11 2kk1 s VAL 112 Cb 0.21 -1.89 -0.09 0.00 0.00 0.00 0.00 36.38 34.61 2kk1 s VAL 112 CO -0.18 0.55 1.04 -2.16 0.00 0.00 0.00 175.10 174.35 2kk1 s PRO 113 N 0.64 4.12 0.00 2.72 0.04 -1.26 -4.05 135.00 137.21 2kk1 s PRO 113 Ca -0.11 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.41 2kk1 s PRO 113 Cb -0.16 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.90 2kk1 s PRO 113 CO 0.02 -0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.30 2kk1 n GLY 114 N 0.24 1.25 0.31 0.56 0.00 -1.26 -4.79 105.19 101.49 2kk1 n GLY 114 Ca 0.06 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.52 -3.60 2.61 1.03 -2.02 -3.38 112.91 108.08 2kk1 h THR 115 Ca 0.00 -0.14 -0.62 0.00 -0.01 0.00 0.00 66.41 65.64 2kk1 h THR 115 Cb 0.00 0.07 -0.14 0.00 -1.07 0.00 0.00 68.15 67.00 2kk1 h THR 115 CO 0.00 0.08 -0.47 0.20 -0.01 0.00 0.00 175.52 175.32 2kk1 s ASN 116 N -5.23 6.14 0.54 0.00 0.01 -1.26 -4.98 114.94 110.16 2kk1 s ASN 116 Ca -0.12 0.14 0.22 0.00 -0.71 0.00 0.00 52.86 52.40 2kk1 s ASN 116 Cb 0.24 -2.12 1.40 0.00 0.41 0.00 0.00 41.25 41.18 2kk1 s ASN 116 CO 0.78 0.04 2.09 1.55 -1.51 0.00 0.00 177.10 180.04 2kk1 h PRO 117 N 7.58 0.00 -0.58 -0.60 0.13 -1.98 -1.46 132.00 135.10 2kk1 h PRO 117 Ca -0.37 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.86 2kk1 h PRO 117 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2kk1 h PRO 117 CO 0.65 0.00 0.39 0.28 -0.23 0.00 0.00 178.00 179.09 2kk1 h VAL 118 N 0.00 0.88 -0.50 1.56 2.07 -1.93 -1.11 116.25 117.22 2kk1 h VAL 118 Ca 0.11 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.53 2kk1 h VAL 118 Cb 0.46 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 2kk1 h VAL 118 CO -0.00 0.06 0.31 -0.07 0.02 0.00 0.00 177.57 177.89 2kk1 h LEU 119 N 0.35 0.50 -0.89 2.57 3.38 -1.63 0.59 115.31 120.19 2kk1 h LEU 119 Ca 0.27 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.14 2kk1 h LEU 119 Cb 0.58 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2kk1 h LEU 119 CO -0.07 0.36 -0.21 0.78 0.09 0.00 0.00 178.44 179.39 2kk1 h ASN 120 N 0.62 0.58 -0.31 -0.43 2.35 -1.37 -1.77 115.58 115.25 2kk1 h ASN 120 Ca 0.20 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2kk1 h ASN 120 Cb -0.01 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 2kk1 h ASN 120 CO -0.08 0.79 0.15 0.78 -1.65 0.00 0.00 177.43 177.43 2kk1 h ASN 121 N 0.52 0.40 -0.52 5.81 2.35 -0.72 -1.54 115.58 121.88 2kk1 h ASN 121 Ca 0.08 -0.12 0.05 0.00 -0.55 0.00 0.00 56.30 55.76 2kk1 h ASN 121 Cb 0.65 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.87 2kk1 h ASN 121 CO 0.05 0.41 0.25 -0.07 -1.65 0.00 0.00 177.43 176.42 2kk1 h LEU 122 N 0.36 0.36 -0.44 1.61 3.38 -0.71 -0.17 115.31 119.70 2kk1 h LEU 122 Ca 0.11 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.19 2kk1 h LEU 122 Cb 0.11 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 2kk1 h LEU 122 CO -0.01 0.25 -0.01 0.25 0.09 0.00 0.00 178.44 179.00 2kk1 h LEU 123 N 0.49 -0.21 -0.07 1.67 5.85 -1.03 0.13 115.31 122.15 2kk1 h LEU 123 Ca 0.23 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 59.05 2kk1 h LEU 123 Cb 0.15 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 2kk1 h LEU 123 CO -0.17 -0.07 0.04 -1.28 -0.34 0.00 0.00 178.44 176.62 2kk1 h SER 124 N 0.10 0.08 -0.34 1.25 0.87 -0.77 -1.64 113.55 113.11 2kk1 h SER 124 Ca 0.22 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 2kk1 h SER 124 Cb 0.32 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 2kk1 h SER 124 CO -0.37 0.13 0.18 0.00 -0.53 0.00 0.00 176.83 176.24 2kk1 h VAL 126 N 0.42 1.19 -0.69 0.00 2.07 -0.73 -0.47 116.25 118.04 2kk1 h VAL 126 Ca 0.12 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 2kk1 h VAL 126 Cb 0.06 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2kk1 h VAL 126 CO -0.02 0.21 0.38 1.56 0.02 0.00 0.00 177.57 179.72 2kk1 h GLN 127 N 0.37 0.95 0.45 1.57 4.20 -1.18 -0.24 115.11 121.23 2kk1 h GLN 127 Ca 0.11 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2kk1 h GLN 127 Cb 0.21 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2kk1 h GLN 127 CO -0.01 0.70 -0.21 1.49 -0.67 0.00 0.00 178.83 180.12 2kk1 h GLU 128 N 0.96 -0.58 -0.09 1.46 4.57 -0.69 -1.02 114.58 119.20 2kk1 h GLU 128 Ca 0.25 0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.49 2kk1 h GLU 128 Cb 0.02 0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 2kk1 h GLU 128 CO -0.04 -0.35 -0.08 0.82 -1.18 0.00 0.00 179.01 178.18 2kk1 h ILE 129 N -0.68 0.76 -0.89 2.32 2.04 -0.87 -0.63 117.51 119.57 2kk1 h ILE 129 Ca -0.06 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.87 2kk1 h ILE 129 Cb 0.50 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 2kk1 h ILE 129 CO 0.10 0.00 0.55 -1.28 0.00 0.00 0.00 178.15 177.52 2kk1 h SER 130 N -0.10 0.85 -0.52 1.72 0.87 -1.07 -0.46 113.55 114.84 2kk1 h SER 130 Ca 0.06 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 2kk1 h SER 130 Cb 0.19 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 2kk1 h SER 130 CO -0.15 0.53 0.29 -0.78 -0.53 0.00 0.00 176.83 176.19 2kk1 h ASP 131 N 0.97 0.64 -0.47 6.23 1.82 -0.62 -2.52 116.42 122.47 2kk1 h ASP 131 Ca 0.40 -0.08 -0.05 0.00 -0.39 0.00 0.00 57.03 56.91 2kk1 h ASP 131 Cb 0.23 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.05 2kk1 h ASP 131 CO -0.19 0.54 0.14 0.58 -1.61 0.00 0.00 179.24 178.69 2kk1 h VAL 132 N 0.69 1.22 0.00 2.25 2.07 -0.29 -1.99 116.25 120.20 2kk1 h VAL 132 Ca 0.18 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 2kk1 h VAL 132 Cb 0.04 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2kk1 h VAL 132 CO -0.03 0.29 -0.11 0.58 0.02 0.00 0.00 177.57 178.32 2kk1 h VAL 133 N 0.78 0.77 -0.00 2.57 2.07 -0.74 -1.27 116.25 120.42 2kk1 h VAL 133 Ca 0.17 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2kk1 h VAL 133 Cb 0.27 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2kk1 h VAL 133 CO -0.00 0.11 -0.00 0.00 0.02 0.00 0.00 177.57 177.70 2kk1 n GLN 134 N -3.95 1.09 0.00 1.57 6.02 -0.75 -5.08 117.38 116.29 2kk1 n GLN 134 Ca -0.02 -0.17 0.13 0.00 -0.01 0.00 0.00 57.00 56.93 2kk1 n GLN 134 Cb 0.20 -1.50 0.25 0.00 1.02 0.00 0.00 30.24 30.22 2kk1 n GLN 134 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59