#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk4 n GLY 2 N 0.00 0.30 2.89 1.08 0.00 -1.26 -5.04 105.19 103.16 2kk4 n GLY 2 Ca 0.00 -2.03 -0.18 0.00 0.00 0.00 0.00 46.02 43.81 2kk4 n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kk4 s HIS 3 N -1.14 0.51 -0.74 1.61 -3.43 -1.26 -5.10 115.29 105.74 2kk4 s HIS 3 Ca 0.00 -0.10 -0.24 0.00 -0.80 0.00 0.00 55.06 53.92 2kk4 s HIS 3 Cb 0.00 -0.46 0.06 0.00 -1.43 0.00 0.00 32.58 30.75 2kk4 s HIS 3 CO 0.00 -0.11 1.14 -1.64 -2.00 0.00 0.00 174.74 172.13 2kk4 s MET 4 N 0.61 3.22 0.00 -0.38 -1.94 -1.26 -4.88 119.30 114.67 2kk4 s MET 4 Ca -0.07 -0.71 0.20 0.00 -1.71 0.00 0.00 55.69 53.40 2kk4 s MET 4 Cb -0.10 -4.36 1.15 0.00 2.01 0.00 0.00 34.83 33.52 2kk4 s MET 4 CO -0.00 -1.97 1.58 -0.40 -0.01 0.00 0.00 175.02 174.21 2kk4 n ASP 5 N 8.34 0.00 -0.21 3.03 5.75 -1.26 -2.79 116.55 129.41 2kk4 n ASP 5 Ca 0.04 -0.51 0.13 0.00 -0.01 0.00 0.00 54.79 54.44 2kk4 n ASP 5 Cb 0.47 -0.05 0.37 0.00 -1.03 0.00 0.00 41.12 40.88 2kk4 n ASP 5 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2kk4 n LEU 6 N -1.05 0.94 -4.77 -2.12 7.99 -1.26 -4.95 117.00 111.78 2kk4 n LEU 6 Ca 0.14 -0.22 -0.38 0.00 -0.01 0.00 0.00 56.01 55.54 2kk4 n LEU 6 Cb 0.08 -0.14 -0.06 0.00 -0.11 0.00 0.00 43.42 43.19 2kk4 n LEU 6 CO 0.12 0.18 0.62 -0.51 -1.51 0.00 0.00 177.39 176.29 2kk4 s ILE 7 N -2.56 4.21 -0.83 -0.08 1.10 -1.12 -5.02 121.20 116.89 2kk4 s ILE 7 Ca 0.23 1.86 -0.22 0.00 -0.51 0.00 0.00 60.65 62.00 2kk4 s ILE 7 Cb 0.19 -4.11 0.07 0.00 0.15 0.00 0.00 42.46 38.76 2kk4 s ILE 7 CO 0.54 0.30 1.18 0.00 -2.11 0.00 0.00 174.94 174.85 2kk4 s MET 9 N 4.23 3.36 0.06 0.00 1.00 -1.26 -4.67 119.30 122.02 2kk4 s MET 9 Ca 0.33 1.03 -0.30 0.00 0.00 0.00 0.00 55.69 56.74 2kk4 s MET 9 Cb -0.08 -4.14 -0.09 0.00 0.00 0.00 0.00 34.83 30.53 2kk4 s MET 9 CO 0.01 -1.83 1.80 0.71 0.00 0.00 0.00 175.02 175.70 2kk4 s TYR 10 N 6.39 1.96 -0.12 -0.03 1.51 -1.13 -1.32 117.35 124.61 2kk4 s TYR 10 Ca 0.68 -0.02 -0.16 0.00 -1.01 0.00 0.00 57.07 56.55 2kk4 s TYR 10 Cb -0.16 -4.10 -0.05 0.00 -0.11 0.00 0.00 41.96 37.54 2kk4 s TYR 10 CO 0.31 -4.66 0.39 0.08 -1.11 0.00 0.00 175.55 170.56 2kk4 s VAL 11 N 3.35 5.22 -0.13 0.71 1.01 -0.55 -1.76 120.40 128.25 2kk4 s VAL 11 Ca 0.80 0.77 0.02 0.00 0.00 0.00 0.00 61.98 63.57 2kk4 s VAL 11 Cb -0.42 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2kk4 s VAL 11 CO 0.36 0.38 -0.21 -0.36 0.00 0.00 0.00 175.10 175.27 2kk4 s PHE 12 N 0.36 2.66 -1.08 5.22 0.40 -0.20 -1.54 117.98 123.80 2kk4 s PHE 12 Ca 0.22 -1.15 -0.22 0.00 -0.60 0.00 0.00 56.93 55.18 2kk4 s PHE 12 Cb -0.14 -1.80 0.04 0.00 0.51 0.00 0.00 43.02 41.63 2kk4 s PHE 12 CO 0.08 -0.50 1.59 0.21 0.70 0.00 0.00 175.22 177.30 2kk4 s LYS 13 N 0.63 3.52 2.95 0.44 2.36 0.20 -1.48 119.74 128.36 2kk4 s LYS 13 Ca -0.11 -1.23 0.00 0.00 -2.55 0.00 0.00 55.97 52.08 2kk4 s LYS 13 Cb -0.16 -5.36 0.00 0.00 -1.05 0.00 0.00 37.83 31.25 2kk4 s LYS 13 CO 0.02 -2.43 0.00 0.41 1.55 0.00 0.00 175.35 174.91 2kk4 n GLY 14 N 6.51 1.54 0.03 5.54 0.00 0.14 -2.56 105.19 116.38 2kk4 n GLY 14 Ca 0.38 0.18 -0.02 0.00 0.00 0.00 0.00 46.02 46.56 2kk4 n GLY 14 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kk4 n GLU 15 N 0.00 2.00 -2.87 1.61 1.02 -1.26 -4.78 120.64 116.36 2kk4 n GLU 15 Ca 0.00 -0.03 -0.36 0.00 -0.02 0.00 0.00 57.16 56.76 2kk4 n GLU 15 Cb 0.00 -1.21 -0.06 0.00 -0.02 0.00 0.00 31.44 30.14 2kk4 n GLU 15 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2kk4 s GLU 16 N -2.31 4.42 -0.25 3.49 -1.05 -1.06 -4.99 118.70 116.94 2kk4 s GLU 16 Ca -0.04 1.16 -0.29 0.00 -0.15 0.00 0.00 54.97 55.65 2kk4 s GLU 16 Cb 0.03 -2.67 -0.02 0.00 -0.44 0.00 0.00 34.13 31.03 2kk4 s GLU 16 CO 0.35 0.23 1.63 0.45 0.95 0.00 0.00 175.26 178.87 2kk4 s SER 17 N -1.77 6.30 -0.24 0.83 0.15 -1.26 -0.63 113.70 117.08 2kk4 s SER 17 Ca 0.51 1.51 -0.18 0.00 0.70 0.00 0.00 55.95 58.49 2kk4 s SER 17 Cb -0.16 -2.53 -0.16 0.00 -1.71 0.00 0.00 66.02 61.46 2kk4 s SER 17 CO 0.21 -1.34 -0.02 0.33 1.20 0.00 0.00 173.24 173.62 2kk4 n PHE 18 N 8.77 0.62 0.00 3.44 7.35 -0.74 -4.84 117.46 132.07 2kk4 n PHE 18 Ca 0.19 0.27 0.00 0.00 -0.76 0.00 0.00 57.45 57.15 2kk4 n PHE 18 Cb 0.46 -1.05 0.00 0.00 0.35 0.00 0.00 39.48 39.23 2kk4 n PHE 18 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2kk4 n GLY 19 N 1.37 -0.86 2.95 7.13 0.00 -0.59 -4.82 105.19 110.37 2kk4 n GLY 19 Ca -0.40 0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 2kk4 n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kk4 s GLU 20 N -0.38 0.17 0.46 1.61 -1.05 -1.10 -1.49 118.70 116.93 2kk4 s GLU 20 Ca 0.00 -0.20 -0.21 0.00 -0.15 0.00 0.00 54.97 54.42 2kk4 s GLU 20 Cb 0.00 0.07 -0.10 0.00 -0.44 0.00 0.00 34.13 33.66 2kk4 s GLU 20 CO 0.00 -0.03 1.00 0.45 0.95 0.00 0.00 175.26 177.63 2kk4 s SER 21 N -0.58 6.62 0.00 0.83 0.15 -0.44 -0.66 113.70 119.62 2kk4 s SER 21 Ca -0.06 1.83 0.00 0.00 0.70 0.00 0.00 55.95 58.41 2kk4 s SER 21 Cb -0.04 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 2kk4 s SER 21 CO -0.00 -0.59 0.00 0.00 1.20 0.00 0.00 173.24 173.85 2kk4 n ILE 22 N -0.78 0.00 -4.00 6.45 0.00 -0.81 -4.07 119.36 116.14 2kk4 n ILE 22 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 62.75 62.74 2kk4 n ILE 22 Cb 0.53 -0.13 -0.05 0.00 0.00 0.00 0.00 39.64 39.99 2kk4 n ILE 22 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2kk4 s ASP 23 N -3.26 -0.09 -0.24 9.51 2.15 -1.14 -5.03 116.67 118.58 2kk4 s ASP 23 Ca 0.00 -0.94 -0.10 0.00 0.43 0.00 0.00 52.55 51.94 2kk4 s ASP 23 Cb 0.00 0.58 0.10 0.00 -0.30 0.00 0.00 42.92 43.30 2kk4 s ASP 23 CO 0.00 -1.13 0.53 0.54 -0.17 0.00 0.00 175.17 174.94 2kk4 s VAL 24 N -4.02 -0.57 -0.06 1.11 0.11 -1.26 -0.19 120.40 115.52 2kk4 s VAL 24 Ca 0.23 0.08 0.04 0.00 -2.93 0.00 0.00 61.98 59.40 2kk4 s VAL 24 Cb -0.00 -0.82 0.00 0.00 -1.53 0.00 0.00 36.38 34.03 2kk4 s VAL 24 CO 0.09 0.03 -0.19 -0.72 -3.33 0.00 0.00 175.10 170.98 2kk4 s TYR 25 N 2.37 1.96 0.00 1.54 1.13 -0.83 -4.97 117.35 118.55 2kk4 s TYR 25 Ca -0.06 -0.67 0.00 0.00 -1.41 0.00 0.00 57.07 54.93 2kk4 s TYR 25 Cb -0.10 -1.33 0.00 0.00 -1.10 0.00 0.00 41.96 39.42 2kk4 s TYR 25 CO -0.16 -0.26 0.00 0.41 -2.51 0.00 0.00 175.55 173.03 2kk4 n GLY 26 N 3.36 0.93 0.15 5.49 0.00 -1.26 -1.71 105.19 112.15 2kk4 n GLY 26 Ca -0.19 0.48 0.08 0.00 0.00 0.00 0.00 46.02 46.38 2kk4 n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kk4 n ASP 27 N 10.28 2.45 -3.79 1.61 8.00 -1.26 -4.98 116.55 128.86 2kk4 n ASP 27 Ca 0.00 -2.86 -0.27 0.00 0.71 0.00 0.00 54.79 52.37 2kk4 n ASP 27 Cb 0.00 -0.36 -0.17 0.00 -0.02 0.00 0.00 41.12 40.58 2kk4 n ASP 27 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2kk4 s TYR 28 N -2.49 1.19 -0.41 1.24 2.02 -0.69 -1.61 117.35 116.60 2kk4 s TYR 28 Ca 0.27 -0.84 -0.29 0.00 -0.37 0.00 0.00 57.07 55.84 2kk4 s TYR 28 Cb 0.23 -1.08 0.02 0.00 -0.40 0.00 0.00 41.96 40.73 2kk4 s TYR 28 CO 0.03 -0.57 1.22 -1.17 -1.57 0.00 0.00 175.55 173.49 2kk4 s LEU 29 N 1.80 3.70 -0.33 -1.29 2.96 0.36 -1.97 118.68 123.91 2kk4 s LEU 29 Ca 0.00 0.74 -0.29 0.00 -0.22 0.00 0.00 54.13 54.36 2kk4 s LEU 29 Cb -0.16 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 2kk4 s LEU 29 CO -0.07 -1.22 1.52 -0.63 -1.32 0.00 0.00 176.35 174.63 2kk4 s ILE 30 N 4.57 3.80 -0.18 6.68 -1.09 0.74 -1.13 121.20 134.59 2kk4 s ILE 30 Ca 0.52 0.86 -0.03 0.00 -2.23 0.00 0.00 60.65 59.76 2kk4 s ILE 30 Cb -0.11 -3.96 -0.02 0.00 -1.58 0.00 0.00 42.46 36.80 2kk4 s ILE 30 CO 0.28 -0.52 -0.05 -0.69 -1.23 0.00 0.00 174.94 172.73 2kk4 s VAL 31 N 5.50 3.60 -0.15 2.92 1.01 -0.98 -1.92 120.40 130.37 2kk4 s VAL 31 Ca 0.67 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 2kk4 s VAL 31 Cb -0.19 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 2kk4 s VAL 31 CO 0.30 0.46 1.32 -0.75 0.00 0.00 0.00 175.10 176.44 2kk4 s LYS 32 N 0.82 4.22 -0.02 2.72 2.47 0.17 -1.23 119.74 128.89 2kk4 s LYS 32 Ca -0.01 1.74 0.01 0.00 -1.56 0.00 0.00 55.97 56.15 2kk4 s LYS 32 Cb -0.15 -3.80 0.02 0.00 -1.46 0.00 0.00 37.83 32.44 2kk4 s LYS 32 CO 0.02 -0.73 -0.01 0.14 0.16 0.00 0.00 175.35 174.92 2kk4 s VAL 33 N 3.58 0.20 0.00 4.02 -7.23 -0.44 -2.69 120.40 117.84 2kk4 s VAL 33 Ca 0.58 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.75 2kk4 s VAL 33 Cb -0.23 -0.25 0.00 0.00 0.56 0.00 0.00 36.38 36.46 2kk4 s VAL 33 CO 0.17 0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.68 2kk4 n GLY 34 N 3.69 0.81 0.00 2.32 0.00 -1.26 -1.73 105.19 109.02 2kk4 n GLY 34 Ca -0.21 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2kk4 n GLY 34 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kk4 n THR 35 N 0.00 0.00 -4.13 2.61 -2.24 -1.26 -5.11 114.28 104.15 2kk4 n THR 35 Ca 0.00 -0.32 -0.06 0.00 -2.27 0.00 0.00 64.05 61.40 2kk4 n THR 35 Cb 0.00 0.91 -0.01 0.00 -2.10 0.00 0.00 70.33 69.12 2kk4 n THR 35 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kk4 n GLU 36 N -0.82 1.38 -4.05 -0.78 1.02 -0.70 -5.15 120.64 111.54 2kk4 n GLU 36 Ca 0.00 -0.74 -0.32 0.00 -0.02 0.00 0.00 57.16 56.08 2kk4 n GLU 36 Cb 0.00 0.28 -0.15 0.00 -0.02 0.00 0.00 31.44 31.55 2kk4 n GLU 36 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2kk4 s PHE 37 N -1.58 3.03 -0.30 -0.32 0.08 -1.26 -1.33 117.98 116.30 2kk4 s PHE 37 Ca 0.02 -2.13 -0.11 0.00 0.12 0.00 0.00 56.93 54.84 2kk4 s PHE 37 Cb 0.00 -1.86 -0.02 0.00 -0.57 0.00 0.00 43.02 40.57 2kk4 s PHE 37 CO 0.01 -0.85 0.18 -0.51 -0.10 0.00 0.00 175.22 173.95 2kk4 s LEU 38 N 1.18 4.14 -0.47 -0.37 1.02 -0.37 -4.49 118.68 119.31 2kk4 s LEU 38 Ca -0.07 -0.32 -0.22 0.00 0.02 0.00 0.00 54.13 53.54 2kk4 s LEU 38 Cb -0.19 -2.07 0.03 0.00 0.02 0.00 0.00 46.19 43.99 2kk4 s LEU 38 CO -0.06 -0.15 0.76 0.00 0.02 0.00 0.00 176.35 176.91 2kk4 s ALA 39 N 1.69 3.29 0.16 4.21 0.00 -0.84 -2.33 121.76 127.94 2kk4 s ALA 39 Ca 0.06 -1.20 -0.26 0.00 0.00 0.00 0.00 51.96 50.56 2kk4 s ALA 39 Cb -0.17 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 19.41 2kk4 s ALA 39 CO 0.08 -1.99 0.80 0.14 0.00 0.00 0.00 175.76 174.80 2kk4 s VAL 40 N 3.21 4.37 0.68 0.00 -7.23 -0.28 -4.45 120.40 116.70 2kk4 s VAL 40 Ca 0.26 1.76 -0.14 0.00 -1.81 0.00 0.00 61.98 62.05 2kk4 s VAL 40 Cb -0.14 -4.17 0.01 0.00 0.56 0.00 0.00 36.38 32.65 2kk4 s VAL 40 CO 0.20 0.50 1.10 -2.16 -0.31 0.00 0.00 175.10 174.43 2kk4 s PRO 41 N -1.01 2.69 0.39 4.82 0.04 -1.26 -0.48 135.00 140.18 2kk4 s PRO 41 Ca 0.37 1.33 0.16 0.00 0.04 0.00 0.00 61.00 62.90 2kk4 s PRO 41 Cb -0.23 -1.94 0.80 0.00 0.04 0.00 0.00 34.50 33.16 2kk4 s PRO 41 CO 0.27 -1.33 1.83 0.87 0.04 0.00 0.00 177.00 178.68 2kk4 h LYS 42 N -0.24 0.00 0.00 4.56 1.79 -1.70 -2.09 116.57 118.90 2kk4 h LYS 42 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 2kk4 h LYS 42 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 2kk4 h LYS 42 CO 0.54 0.35 0.00 0.36 -1.08 0.00 0.00 179.45 179.62 2kk4 n LYS 43 N -3.91 0.05 0.11 3.15 2.85 -1.26 -2.64 118.16 116.51 2kk4 n LYS 43 Ca -0.02 0.12 0.12 0.00 -1.05 0.00 0.00 58.31 57.48 2kk4 n LYS 43 Cb 0.41 -1.50 0.06 0.00 -0.65 0.00 0.00 35.03 33.36 2kk4 n LYS 43 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2kk4 h SER 44 N 0.00 0.00 -2.41 -5.58 0.87 -1.75 -3.47 113.55 101.21 2kk4 h SER 44 Ca 0.00 -0.06 -0.57 0.00 -1.23 0.00 0.00 61.79 59.93 2kk4 h SER 44 Cb 0.35 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2kk4 h SER 44 CO 0.00 0.03 1.31 -0.63 -0.53 0.00 0.00 176.83 177.00 2kk4 s ILE 45 N -3.30 3.30 0.04 2.23 -1.09 -1.08 -0.52 121.20 120.78 2kk4 s ILE 45 Ca 0.02 0.32 -0.19 0.00 -2.23 0.00 0.00 60.65 58.57 2kk4 s ILE 45 Cb 0.10 -3.34 -0.14 0.00 -1.58 0.00 0.00 42.46 37.50 2kk4 s ILE 45 CO 0.76 -0.17 1.33 0.11 -1.23 0.00 0.00 174.94 175.73 2kk4 h LYS 46 N 12.71 0.42 -2.00 2.79 1.79 -0.96 -3.47 116.57 127.84 2kk4 h LYS 46 Ca -0.39 -0.24 -0.05 0.00 -2.18 0.00 0.00 60.65 57.79 2kk4 h LYS 46 Cb 1.20 0.02 -0.20 0.00 -1.58 0.00 0.00 32.23 31.67 2kk4 h LYS 46 CO 0.98 0.82 0.17 0.45 -1.08 0.00 0.00 179.45 180.79 2kk4 s SER 47 N -6.26 -0.70 -0.23 0.86 0.15 -1.09 -5.05 113.70 101.39 2kk4 s SER 47 Ca -0.14 1.02 -0.05 0.00 0.70 0.00 0.00 55.95 57.48 2kk4 s SER 47 Cb 0.06 0.92 -0.01 0.00 -1.71 0.00 0.00 66.02 65.28 2kk4 s SER 47 CO 0.77 -0.46 -0.00 0.54 1.20 0.00 0.00 173.24 175.29 2kk4 s VAL 48 N -0.54 3.68 0.36 4.45 0.11 -1.26 -1.28 120.40 125.92 2kk4 s VAL 48 Ca -0.06 -0.41 0.07 0.00 -2.93 0.00 0.00 61.98 58.65 2kk4 s VAL 48 Cb -0.02 -2.71 -0.02 0.00 -1.53 0.00 0.00 36.38 32.11 2kk4 s VAL 48 CO 0.06 0.38 0.38 -1.61 -3.33 0.00 0.00 175.10 170.98 2kk4 s GLU 49 N 1.52 2.79 -0.48 1.54 0.41 -0.41 -5.03 118.70 119.04 2kk4 s GLU 49 Ca 0.06 -1.27 -0.27 0.00 -0.41 0.00 0.00 54.97 53.08 2kk4 s GLU 49 Cb -0.15 -2.57 -0.04 0.00 -1.78 0.00 0.00 34.13 29.59 2kk4 s GLU 49 CO -0.01 -0.00 2.08 0.16 -0.49 0.00 0.00 175.26 177.00 2kk4 s ASP 50 N -4.10 5.10 0.00 -0.19 -4.77 -1.26 -2.43 116.67 109.02 2kk4 s ASP 50 Ca 0.45 0.93 0.00 0.00 -3.30 0.00 0.00 52.55 50.63 2kk4 s ASP 50 Cb -0.07 -2.52 0.00 0.00 -1.09 0.00 0.00 42.92 39.25 2kk4 s ASP 50 CO 0.29 -2.40 0.00 0.61 0.70 0.00 0.00 175.17 174.37 2kk4 n GLY 51 N 5.77 0.75 3.13 2.12 0.00 -1.26 -5.02 105.19 110.68 2kk4 n GLY 51 Ca 0.28 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.12 2kk4 n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kk4 s ARG 52 N -0.02 0.77 -0.08 1.61 1.81 -1.02 -2.82 118.95 119.21 2kk4 s ARG 52 Ca 0.00 -0.80 0.05 0.00 -1.72 0.00 0.00 55.73 53.26 2kk4 s ARG 52 Cb 0.00 -0.73 -0.00 0.00 -0.45 0.00 0.00 34.95 33.77 2kk4 s ARG 52 CO 0.00 0.17 -0.23 0.42 -0.68 0.00 0.00 175.30 174.97 2kk4 s ILE 53 N -1.09 1.97 -0.19 1.52 -1.09 -0.72 -1.29 121.20 120.31 2kk4 s ILE 53 Ca -0.02 -0.99 -0.03 0.00 -2.23 0.00 0.00 60.65 57.38 2kk4 s ILE 53 Cb -0.09 -1.69 -0.01 0.00 -1.58 0.00 0.00 42.46 39.09 2kk4 s ILE 53 CO 0.01 0.54 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.52 2kk4 s VAL 54 N 0.14 3.35 0.34 2.92 1.01 -0.40 -1.03 120.40 126.73 2kk4 s VAL 54 Ca -0.12 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.44 2kk4 s VAL 54 Cb -0.16 -2.49 -0.06 0.00 0.00 0.00 0.00 36.38 33.67 2kk4 s VAL 54 CO 0.06 0.46 -0.07 0.27 0.00 0.00 0.00 175.10 175.82 2kk4 s ILE 55 N 1.09 2.35 0.11 2.22 -4.36 -0.55 -0.35 121.20 121.71 2kk4 s ILE 55 Ca 0.01 -2.15 0.01 0.00 -0.26 0.00 0.00 60.65 58.26 2kk4 s ILE 55 Cb -0.15 -2.68 0.01 0.00 1.25 0.00 0.00 42.46 40.90 2kk4 s ILE 55 CO -0.01 -0.21 0.11 0.61 0.24 0.00 0.00 174.94 175.68 2kk4 n GLY 56 N -0.83 2.67 3.72 6.27 0.00 0.32 -0.68 105.19 116.65 2kk4 n GLY 56 Ca -0.05 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.37 2kk4 n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kk4 s GLU 57 N -2.48 4.36 0.20 1.61 8.01 -1.26 -4.88 118.70 124.25 2kk4 s GLU 57 Ca 0.08 1.98 0.01 0.00 0.01 0.00 0.00 54.97 57.05 2kk4 s GLU 57 Cb -0.01 -3.27 -0.05 0.00 -4.31 0.00 0.00 34.13 26.50 2kk4 s GLU 57 CO 0.05 -0.36 0.04 -0.59 0.01 0.00 0.00 175.26 174.41 2kk4 s PHE 58 N 0.98 1.28 -0.50 1.61 -0.71 -1.26 -5.02 117.98 114.35 2kk4 s PHE 58 Ca 0.62 -1.11 -0.29 0.00 -1.04 0.00 0.00 56.93 55.11 2kk4 s PHE 58 Cb -0.35 -0.73 0.03 0.00 -1.21 0.00 0.00 43.02 40.77 2kk4 s PHE 58 CO 0.31 -0.30 1.15 -0.51 -1.34 0.00 0.00 175.22 174.53 2kk4 s ASP 59 N -3.20 6.59 0.41 1.98 1.11 -1.26 -4.90 116.67 117.40 2kk4 s ASP 59 Ca 0.29 0.38 0.16 0.00 0.18 0.00 0.00 52.55 53.57 2kk4 s ASP 59 Cb 0.07 -2.55 0.89 0.00 1.07 0.00 0.00 42.92 42.40 2kk4 s ASP 59 CO 0.07 -1.31 1.88 1.05 1.18 0.00 0.00 175.17 178.05 2kk4 h GLU 60 N 9.31 0.00 -0.36 8.23 4.11 -1.98 -1.44 114.58 132.45 2kk4 h GLU 60 Ca -0.23 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.12 2kk4 h GLU 60 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2kk4 h GLU 60 CO 1.14 0.30 -0.08 1.05 0.07 0.00 0.00 179.01 181.49 2kk4 h GLU 61 N 0.00 0.70 -0.35 1.06 9.09 -1.99 -1.39 114.58 121.69 2kk4 h GLU 61 Ca -0.00 -0.26 -0.11 0.00 0.05 0.00 0.00 59.36 59.03 2kk4 h GLU 61 Cb 0.58 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.63 2kk4 h GLU 61 CO 0.04 0.85 -0.20 0.93 0.05 0.00 0.00 179.01 180.68 2kk4 h GLU 62 N 0.50 0.76 -0.92 1.06 5.08 -1.92 -2.88 114.58 116.26 2kk4 h GLU 62 Ca 0.09 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 2kk4 h GLU 62 Cb 0.59 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 2kk4 h GLU 62 CO 0.03 0.96 0.55 0.00 -1.00 0.00 0.00 179.01 179.56 2kk4 h ALA 63 N 0.78 1.24 0.01 3.43 0.00 -1.22 -2.15 119.26 121.35 2kk4 h ALA 63 Ca 0.08 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 2kk4 h ALA 63 Cb 0.75 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2kk4 h ALA 63 CO 0.06 0.65 -0.92 0.07 0.00 0.00 0.00 179.25 179.10 2kk4 h ARG 64 N 1.27 0.30 0.11 0.00 0.11 -1.29 -0.53 114.38 114.35 2kk4 h ARG 64 Ca 0.33 -0.33 -0.28 0.00 0.10 0.00 0.00 59.98 59.80 2kk4 h ARG 64 Cb -0.05 0.10 0.03 0.00 1.11 0.00 0.00 29.97 31.15 2kk4 h ARG 64 CO -0.06 1.04 -1.15 1.05 0.10 0.00 0.00 179.97 180.94 2kk4 h GLU 65 N 0.16 0.59 0.00 0.08 4.11 -1.30 0.14 114.58 118.37 2kk4 h GLU 65 Ca -0.06 -0.78 -0.12 0.00 0.07 0.00 0.00 59.36 58.47 2kk4 h GLU 65 Cb 1.56 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 31.05 2kk4 h GLU 65 CO 0.15 1.35 -0.61 1.37 0.07 0.00 0.00 179.01 181.34 2kk4 h LEU 66 N 0.21 0.00 -0.79 3.06 8.10 -1.53 -2.56 115.31 121.80 2kk4 h LEU 66 Ca -0.17 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.70 2kk4 h LEU 66 Cb 1.84 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 42.05 2kk4 h LEU 66 CO 0.22 0.55 -0.39 1.23 -4.11 0.00 0.00 178.44 175.95 2kk4 h GLY 67 N 3.47 0.49 2.00 0.17 0.00 -1.14 -2.63 103.07 105.43 2kk4 h GLY 67 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2kk4 h GLY 67 CO 0.07 0.43 0.00 0.07 0.00 0.00 0.00 176.54 177.11 2kk4 h ARG 68 N 0.38 0.00 -0.10 4.80 0.11 -0.64 -1.92 114.38 117.01 2kk4 h ARG 68 Ca 0.04 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.01 2kk4 h ARG 68 Cb 0.85 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.91 2kk4 h ARG 68 CO 0.07 0.00 -0.41 -0.22 0.10 0.00 0.00 179.97 179.51 2kk4 h LYS 69 N 0.00 0.21 -0.15 0.08 3.64 -1.20 -1.42 116.57 117.74 2kk4 h LYS 69 Ca 0.00 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.19 2kk4 h LYS 69 Cb 0.77 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 2kk4 h LYS 69 CO 0.00 0.59 -0.28 2.35 -2.27 0.00 0.00 179.45 179.84 2kk4 h TRP 70 N 0.18 0.32 -0.09 1.91 7.01 -1.01 -0.94 115.95 123.33 2kk4 h TRP 70 Ca 0.02 -0.07 -0.08 0.00 2.11 0.00 0.00 58.89 60.87 2kk4 h TRP 70 Cb 0.80 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.77 2kk4 h TRP 70 CO 0.01 0.55 -0.30 -0.07 -2.79 0.00 0.00 178.44 175.84 2kk4 h LEU 71 N 0.26 0.17 0.00 0.65 4.07 -0.86 -1.09 115.31 118.51 2kk4 h LEU 71 Ca 0.04 -0.05 -0.13 0.00 0.08 0.00 0.00 57.88 57.82 2kk4 h LEU 71 Cb 0.64 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.31 2kk4 h LEU 71 CO 0.05 0.47 -0.68 1.05 -1.08 0.00 0.00 178.44 178.25 2kk4 h GLU 72 N 0.15 0.00 -0.06 1.13 -0.00 -1.06 -3.07 114.58 111.68 2kk4 h GLU 72 Ca 0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 59.31 2kk4 h GLU 72 Cb 0.62 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.36 2kk4 h GLU 72 CO 0.04 0.53 -0.28 1.49 -0.00 0.00 0.00 179.01 180.79 2kk4 h GLU 73 N 0.00 0.11 0.43 1.06 4.57 -0.90 -3.14 114.58 116.70 2kk4 h GLU 73 Ca -0.03 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 2kk4 h GLU 73 Cb 1.46 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.04 2kk4 h GLU 73 CO 0.07 0.39 -0.21 0.87 -1.18 0.00 0.00 179.01 178.95 2kk4 h LYS 74 N 0.10 -0.55 -4.38 1.92 1.57 -1.11 -3.40 116.57 110.72 2kk4 h LYS 74 Ca 0.01 0.04 -0.71 0.00 -1.87 0.00 0.00 60.65 58.12 2kk4 h LYS 74 Cb 0.56 0.13 -0.31 0.00 0.08 0.00 0.00 32.23 32.68 2kk4 h LYS 74 CO 0.04 -0.32 -0.46 0.45 -0.57 0.00 0.00 179.45 178.59 2kk4 s SER 75 N -4.75 5.52 0.53 0.86 0.15 -1.18 -5.09 113.70 109.74 2kk4 s SER 75 Ca -0.16 -1.92 -0.22 0.00 0.70 0.00 0.00 55.95 54.35 2kk4 s SER 75 Cb 0.04 -1.94 -0.05 0.00 -1.71 0.00 0.00 66.02 62.35 2kk4 s SER 75 CO 0.61 -0.62 1.36 -0.54 1.20 0.00 0.00 173.24 175.25 2kk4 s LYS 76 N 1.28 3.23 0.92 5.44 3.01 -1.24 -4.73 119.74 127.64 2kk4 s LYS 76 Ca 0.06 2.24 -0.14 0.00 -1.01 0.00 0.00 55.97 57.12 2kk4 s LYS 76 Cb -0.25 -2.31 0.18 0.00 -1.01 0.00 0.00 37.83 34.44 2kk4 s LYS 76 CO -0.02 -1.12 1.27 -1.25 0.51 0.00 0.00 175.35 174.74 2kk4 s PRO 77 N -2.85 0.91 0.42 -1.68 0.04 -1.26 -4.99 135.00 125.59 2kk4 s PRO 77 Ca 0.70 -0.43 0.23 0.00 0.04 0.00 0.00 61.00 61.54 2kk4 s PRO 77 Cb -0.40 -1.91 0.82 0.00 0.04 0.00 0.00 34.50 33.04 2kk4 s PRO 77 CO 0.48 -2.21 1.78 -0.24 0.04 0.00 0.00 177.00 176.85 2kk4 h VAL 78 N -1.45 0.59 -3.72 -0.36 3.04 -2.02 -3.44 116.25 108.89 2kk4 h VAL 78 Ca -0.44 -1.23 -0.52 0.00 -1.01 0.00 0.00 66.70 63.50 2kk4 h VAL 78 Cb 1.25 1.83 0.04 0.00 -2.01 0.00 0.00 31.29 32.41 2kk4 h VAL 78 CO 0.41 0.25 0.60 -0.89 -1.01 0.00 0.00 177.57 176.93 2kk4 s THR 79 N -3.58 3.06 -0.13 3.17 2.01 -1.26 -4.97 115.64 113.94 2kk4 s THR 79 Ca 0.01 1.01 -0.33 0.00 0.31 0.00 0.00 61.69 62.69 2kk4 s THR 79 Cb 0.10 -3.64 -0.10 0.00 0.01 0.00 0.00 72.50 68.87 2kk4 s THR 79 CO 0.65 0.22 1.99 -0.11 -0.69 0.00 0.00 174.62 176.68 2kk4 n LEU 80 N 1.41 3.37 0.00 4.42 7.94 -1.26 -4.86 117.00 128.01 2kk4 n LEU 80 Ca 0.01 0.77 0.11 0.00 -1.11 0.00 0.00 56.01 55.79 2kk4 n LEU 80 Cb 0.43 -1.41 0.55 0.00 0.53 0.00 0.00 43.42 43.52 2kk4 n LEU 80 CO 0.57 -0.20 0.86 1.21 -1.11 0.00 0.00 177.39 178.72 2kk4 n GLU 81 N 7.32 0.29 0.18 1.96 2.13 -1.26 -1.61 120.64 129.65 2kk4 n GLU 81 Ca 0.26 0.08 0.03 0.00 0.66 0.00 0.00 57.16 58.18 2kk4 n GLU 81 Cb 0.33 -1.50 0.38 0.00 0.27 0.00 0.00 31.44 30.91 2kk4 n GLU 81 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2kk4 h GLU 82 N 0.00 0.02 0.00 5.31 4.57 -2.03 -2.66 114.58 119.80 2kk4 h GLU 82 Ca 0.00 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.11 2kk4 h GLU 82 Cb 0.22 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 2kk4 h GLU 82 CO 0.00 0.35 -0.30 1.25 -1.18 0.00 0.00 179.01 179.13 2kk4 h LEU 83 N 0.02 0.00 -8.28 1.64 5.85 -1.69 -3.40 115.31 109.45 2kk4 h LEU 83 Ca 0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 2kk4 h LEU 83 Cb 0.60 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 2kk4 h LEU 83 CO 0.04 0.30 0.36 -0.75 -0.34 0.00 0.00 178.44 178.05 2kk4 s LYS 84 N -3.69 2.04 -0.23 1.25 2.20 -1.00 -4.92 119.74 115.38 2kk4 s LYS 84 Ca -0.00 0.09 -0.08 0.00 -0.36 0.00 0.00 55.97 55.62 2kk4 s LYS 84 Cb 0.11 -4.92 -0.04 0.00 -1.51 0.00 0.00 37.83 31.47 2kk4 s LYS 84 CO 0.66 -3.98 0.09 0.45 -0.36 0.00 0.00 175.35 172.21 2kk4 s SER 85 N 9.49 5.53 0.00 1.43 0.15 -1.26 -4.65 113.70 124.39 2kk4 s SER 85 Ca 0.82 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.43 2kk4 s SER 85 Cb -0.10 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 2kk4 s SER 85 CO 0.04 0.05 0.00 0.00 1.20 0.00 0.00 173.24 174.53 2kk4 n TYR 86 N 4.36 0.00 0.00 3.44 9.36 -1.26 -5.12 117.16 127.94 2kk4 n TYR 86 Ca -0.16 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.06 2kk4 n TYR 86 Cb 0.52 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.23 2kk4 n TYR 86 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2kk4 n GLY 87 N -0.51 1.41 0.00 2.98 0.00 -1.26 -3.06 105.19 104.75 2kk4 n GLY 87 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2kk4 n GLY 87 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kk4 n PHE 88 N 0.00 0.00 -2.99 1.61 3.72 -1.26 -4.89 117.46 113.65 2kk4 n PHE 88 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 2kk4 n PHE 88 Cb 0.00 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.58 2kk4 n PHE 88 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2kk4 n GLY 89 N 0.13 0.13 3.60 1.37 0.00 -1.17 -4.16 105.19 105.08 2kk4 n GLY 89 Ca 0.00 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 2kk4 n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kk4 s GLU 90 N -5.58 3.15 -0.27 1.61 2.02 -1.26 -4.93 118.70 113.44 2kk4 s GLU 90 Ca 0.28 1.90 -0.14 0.00 0.02 0.00 0.00 54.97 57.02 2kk4 s GLU 90 Cb -0.12 -4.34 0.09 0.00 0.10 0.00 0.00 34.13 29.85 2kk4 s GLU 90 CO 0.35 -2.08 0.65 -2.00 0.02 0.00 0.00 175.26 172.20 2kk4 s GLU 91 N 6.24 0.65 0.00 1.61 -6.30 -1.26 -5.14 118.70 114.51 2kk4 s GLU 91 Ca 0.96 1.23 0.00 0.00 -2.50 0.00 0.00 54.97 54.66 2kk4 s GLU 91 Cb -0.31 0.26 0.00 0.00 0.00 0.00 0.00 34.13 34.08 2kk4 s GLU 91 CO 0.35 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.87 2kk4 n GLY 92 N 4.53 -1.61 3.29 -1.50 0.00 -1.26 -5.12 105.19 103.52 2kk4 n GLY 92 Ca -0.19 -1.55 -0.14 0.00 0.00 0.00 0.00 46.02 44.15 2kk4 n GLY 92 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kk4 n GLU 93 N -1.23 0.69 0.00 1.61 -0.00 -1.26 -5.07 120.64 115.39 2kk4 n GLU 93 Ca 0.00 -2.72 0.00 0.00 -0.00 0.00 0.00 57.16 54.44 2kk4 n GLU 93 Cb 0.00 2.63 0.00 0.00 -0.00 0.00 0.00 31.44 34.07 2kk4 n GLU 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kk4 n GLY 94 N -0.56 -0.27 0.00 -1.84 0.00 -1.26 -5.25 105.19 96.00 2kk4 n GLY 94 Ca 0.01 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2kk4 n GLY 94 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18