#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kh2 h PRO 2 N 0.00 -0.79 -5.55 0.00 0.13 -2.07 -3.44 132.00 120.29 2kh2 h PRO 2 Ca 0.00 0.05 -0.61 0.00 -0.87 0.00 0.00 66.00 64.57 2kh2 h PRO 2 Cb 0.00 0.18 -0.09 0.00 0.13 0.00 0.00 31.00 31.22 2kh2 h PRO 2 CO 0.00 -0.51 -0.38 0.54 -0.23 0.00 0.00 178.00 177.41 2kh2 s VAL 3 N -4.31 5.34 -0.14 1.56 0.11 -1.26 -5.07 120.40 116.63 2kh2 s VAL 3 Ca -0.12 0.43 -0.24 0.00 -2.93 0.00 0.00 61.98 59.11 2kh2 s VAL 3 Cb 0.01 -3.55 -0.02 0.00 -1.53 0.00 0.00 36.38 31.29 2kh2 s VAL 3 CO 0.38 0.48 0.77 -0.13 -3.33 0.00 0.00 175.10 173.27 2kh2 s ARG 4 N -0.11 4.33 -0.17 1.54 0.52 -1.26 -5.00 118.95 118.79 2kh2 s ARG 4 Ca 0.15 0.94 -0.10 0.00 -0.52 0.00 0.00 55.73 56.20 2kh2 s ARG 4 Cb -0.13 -3.54 0.06 0.00 0.52 0.00 0.00 34.95 31.86 2kh2 s ARG 4 CO 0.04 -0.21 0.42 -1.12 0.02 0.00 0.00 175.30 174.45 2kh2 s SER 5 N 1.07 -0.52 0.30 0.23 0.01 -1.26 -0.50 113.70 113.03 2kh2 s SER 5 Ca 0.37 0.91 0.08 0.00 1.31 0.00 0.00 55.95 58.61 2kh2 s SER 5 Cb -0.17 0.80 -0.06 0.00 0.21 0.00 0.00 66.02 66.80 2kh2 s SER 5 CO 0.14 -0.19 -0.07 -1.48 0.41 0.00 0.00 173.24 172.05 2kh2 s LEU 6 N 1.33 2.55 -0.05 2.44 0.05 -0.81 -4.91 118.68 119.28 2kh2 s LEU 6 Ca -0.09 -1.19 0.06 0.00 0.05 0.00 0.00 54.13 52.96 2kh2 s LEU 6 Cb -0.08 -0.75 -0.02 0.00 -2.05 0.00 0.00 46.19 43.29 2kh2 s LEU 6 CO -0.12 -0.29 -0.21 0.20 -0.55 0.00 0.00 176.35 175.38 2kh2 s ASN 7 N -3.49 3.43 0.19 1.48 0.01 -1.26 0.06 114.94 115.36 2kh2 s ASN 7 Ca 0.30 -0.38 -0.23 0.00 -0.71 0.00 0.00 52.86 51.84 2kh2 s ASN 7 Cb 0.03 -0.72 0.06 0.00 0.41 0.00 0.00 41.25 41.03 2kh2 s ASN 7 CO 0.13 0.30 0.68 0.00 -1.51 0.00 0.00 177.10 176.70 2kh2 s THR 9 N -3.74 4.26 -0.21 0.00 -4.23 -0.16 -1.27 115.64 110.30 2kh2 s THR 9 Ca 0.05 -0.30 -0.06 0.00 -1.18 0.00 0.00 61.69 60.21 2kh2 s THR 9 Cb -0.03 -2.80 -0.03 0.00 1.34 0.00 0.00 72.50 70.99 2kh2 s THR 9 CO -0.05 0.58 0.02 -0.76 -0.54 0.00 0.00 174.62 173.86 2kh2 s LEU 10 N -0.95 3.33 0.00 4.79 1.43 -1.26 -1.99 118.68 124.02 2kh2 s LEU 10 Ca 0.14 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 2kh2 s LEU 10 Cb -0.11 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 2kh2 s LEU 10 CO 0.03 0.06 -0.10 -0.13 0.23 0.00 0.00 176.35 176.44 2kh2 s ARG 11 N 1.03 0.77 1.01 1.70 0.52 -1.22 -3.95 118.95 118.82 2kh2 s ARG 11 Ca 0.02 -0.41 -0.17 0.00 -0.52 0.00 0.00 55.73 54.65 2kh2 s ARG 11 Cb -0.14 -0.74 0.22 0.00 0.52 0.00 0.00 34.95 34.81 2kh2 s ARG 11 CO 0.02 0.20 1.29 0.16 0.02 0.00 0.00 175.30 176.99 2kh2 s ASP 12 N -0.41 2.64 0.00 0.23 -4.77 -1.05 0.21 116.67 113.52 2kh2 s ASP 12 Ca 0.03 0.30 0.08 0.00 -3.30 0.00 0.00 52.55 49.66 2kh2 s ASP 12 Cb -0.04 -0.35 0.37 0.00 -1.09 0.00 0.00 42.92 41.81 2kh2 s ASP 12 CO -0.00 -3.03 1.24 -1.54 0.70 0.00 0.00 175.17 172.54 2kh2 n SER 13 N -3.97 0.00 -1.12 2.11 3.41 -1.26 -0.97 113.62 111.82 2kh2 n SER 13 Ca 0.15 0.42 0.12 0.00 -0.26 0.00 0.00 58.87 59.30 2kh2 n SER 13 Cb 0.59 -0.45 0.21 0.00 -0.26 0.00 0.00 64.21 64.31 2kh2 n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kh2 n GLN 14 N -1.45 2.47 -1.71 4.33 1.13 -1.26 -4.93 117.38 115.96 2kh2 n GLN 14 Ca 0.03 -2.22 -0.12 0.00 -1.94 0.00 0.00 57.00 52.75 2kh2 n GLN 14 Cb 0.09 -1.51 -0.03 0.00 0.11 0.00 0.00 30.24 28.90 2kh2 n GLN 14 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2kh2 n GLN 15 N 1.45 -0.87 -2.84 -1.09 1.13 -0.15 -4.94 117.38 110.06 2kh2 n GLN 15 Ca 0.19 0.77 -0.34 0.00 -1.94 0.00 0.00 57.00 55.68 2kh2 n GLN 15 Cb 0.60 -4.83 -0.07 0.00 0.11 0.00 0.00 30.24 26.05 2kh2 n GLN 15 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2kh2 s LYS 16 N -3.66 4.27 0.11 -1.09 1.02 -1.26 -4.11 119.74 115.02 2kh2 s LYS 16 Ca 0.00 1.11 0.10 0.00 0.02 0.00 0.00 55.97 57.20 2kh2 s LYS 16 Cb 0.00 -2.32 -0.04 0.00 -0.52 0.00 0.00 37.83 34.96 2kh2 s LYS 16 CO 0.00 0.04 -0.23 -1.12 -0.92 0.00 0.00 175.35 173.13 2kh2 s SER 17 N -2.09 3.57 -0.22 2.83 0.01 0.13 -2.54 113.70 115.40 2kh2 s SER 17 Ca 0.59 -0.64 -0.25 0.00 1.31 0.00 0.00 55.95 56.96 2kh2 s SER 17 Cb -0.11 -0.39 -0.01 0.00 0.21 0.00 0.00 66.02 65.73 2kh2 s SER 17 CO 0.15 0.19 0.85 -0.76 0.41 0.00 0.00 173.24 174.08 2kh2 s LEU 18 N -1.97 4.11 0.06 2.44 1.43 -1.25 -1.55 118.68 121.95 2kh2 s LEU 18 Ca 0.15 1.10 0.08 0.00 -1.03 0.00 0.00 54.13 54.43 2kh2 s LEU 18 Cb -0.10 -3.23 -0.03 0.00 0.03 0.00 0.00 46.19 42.86 2kh2 s LEU 18 CO 0.07 -0.49 -0.21 0.68 0.23 0.00 0.00 176.35 176.63 2kh2 s VAL 19 N 2.66 1.73 -0.32 -1.59 -7.23 0.87 -2.58 120.40 113.93 2kh2 s VAL 19 Ca 0.37 -1.32 -0.29 0.00 -1.81 0.00 0.00 61.98 58.92 2kh2 s VAL 19 Cb -0.16 -1.52 0.01 0.00 0.56 0.00 0.00 36.38 35.27 2kh2 s VAL 19 CO 0.09 0.14 1.22 -0.04 -0.31 0.00 0.00 175.10 176.19 2kh2 s MET 20 N -1.41 3.95 0.00 4.82 -1.94 -1.26 -0.76 119.30 122.70 2kh2 s MET 20 Ca 0.08 1.13 0.00 0.00 -1.71 0.00 0.00 55.69 55.19 2kh2 s MET 20 Cb -0.09 -3.84 0.00 0.00 2.01 0.00 0.00 34.83 32.91 2kh2 s MET 20 CO 0.03 -1.07 0.00 0.45 -0.01 0.00 0.00 175.02 174.41 2kh2 n SER 21 N 7.40 0.00 -1.38 3.03 2.88 0.55 -4.95 113.62 121.16 2kh2 n SER 21 Ca 0.14 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 2kh2 n SER 21 Cb 0.47 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 2kh2 n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kh2 n GLY 22 N 2.23 2.33 0.27 0.46 0.00 -1.18 -4.94 105.19 104.35 2kh2 n GLY 22 Ca 0.00 -2.11 0.03 0.00 0.00 0.00 0.00 46.02 43.94 2kh2 n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kh2 h PRO 23 N 0.00 0.35 -0.36 1.61 0.13 -2.04 -3.19 132.00 128.50 2kh2 h PRO 23 Ca 0.00 -0.05 -0.26 0.00 -0.87 0.00 0.00 66.00 64.82 2kh2 h PRO 23 Cb 0.00 -0.06 -0.38 0.00 0.13 0.00 0.00 31.00 30.69 2kh2 h PRO 23 CO 0.00 0.35 -1.01 0.66 -0.23 0.00 0.00 178.00 177.77 2kh2 n TYR 24 N -4.38 1.16 -4.44 1.56 4.01 -1.26 -5.06 117.16 108.75 2kh2 n TYR 24 Ca 0.01 -1.76 -0.21 0.00 -0.16 0.00 0.00 57.90 55.78 2kh2 n TYR 24 Cb 0.17 -0.23 -0.16 0.00 -0.31 0.00 0.00 39.34 38.81 2kh2 n TYR 24 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2kh2 s GLU 25 N -2.92 1.08 -0.06 -0.72 2.12 -1.21 -4.66 118.70 112.33 2kh2 s GLU 25 Ca 0.33 -0.34 0.05 0.00 0.36 0.00 0.00 54.97 55.38 2kh2 s GLU 25 Cb 0.35 -0.99 -0.01 0.00 0.26 0.00 0.00 34.13 33.75 2kh2 s GLU 25 CO -0.06 0.12 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.06 2kh2 s LEU 26 N 0.20 2.00 0.17 2.70 1.43 -1.26 -0.33 118.68 123.59 2kh2 s LEU 26 Ca -0.04 -0.45 0.09 0.00 -1.03 0.00 0.00 54.13 52.70 2kh2 s LEU 26 Cb -0.09 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 2kh2 s LEU 26 CO 0.01 0.20 -0.19 -0.54 0.23 0.00 0.00 176.35 176.05 2kh2 s LYS 27 N -0.02 1.30 -0.20 1.70 1.02 0.06 -2.77 119.74 120.83 2kh2 s LYS 27 Ca -0.05 -1.41 0.00 0.00 0.02 0.00 0.00 55.97 54.52 2kh2 s LYS 27 Cb -0.13 -1.39 0.02 0.00 -0.52 0.00 0.00 37.83 35.80 2kh2 s LYS 27 CO 0.04 0.29 -0.15 0.00 -0.92 0.00 0.00 175.35 174.60 2kh2 s ALA 28 N -1.98 2.48 0.09 5.17 0.00 0.95 -0.09 121.76 128.37 2kh2 s ALA 28 Ca 0.16 -1.30 -0.10 0.00 0.00 0.00 0.00 51.96 50.72 2kh2 s ALA 28 Cb -0.06 -1.37 0.01 0.00 0.00 0.00 0.00 23.12 21.70 2kh2 s ALA 28 CO 0.07 -0.50 0.23 -0.48 0.00 0.00 0.00 175.76 175.08 2kh2 s LEU 29 N 1.31 1.23 0.16 0.00 0.05 -0.59 -3.18 118.68 117.65 2kh2 s LEU 29 Ca 0.03 -0.57 -0.32 0.00 0.05 0.00 0.00 54.13 53.33 2kh2 s LEU 29 Cb -0.14 1.18 -0.11 0.00 -2.05 0.00 0.00 46.19 45.07 2kh2 s LEU 29 CO -0.10 -0.74 1.74 -1.00 -0.55 0.00 0.00 176.35 175.70 2kh2 s HIS 30 N -3.76 2.63 -0.22 3.48 3.76 -1.26 0.19 115.29 120.11 2kh2 s HIS 30 Ca 0.04 0.25 -0.01 0.00 -0.15 0.00 0.00 55.06 55.18 2kh2 s HIS 30 Cb 0.04 -4.12 0.07 0.00 1.11 0.00 0.00 32.58 29.68 2kh2 s HIS 30 CO -0.11 -4.37 0.02 -1.17 -0.85 0.00 0.00 174.74 168.26 2kh2 s LEU 31 N 1.81 1.75 0.00 0.89 2.96 -1.26 -4.87 118.68 119.96 2kh2 s LEU 31 Ca 0.76 -1.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 2kh2 s LEU 31 Cb -0.47 -0.81 0.00 0.00 0.50 0.00 0.00 46.19 45.41 2kh2 s LEU 31 CO 0.33 -0.30 0.00 0.00 -1.32 0.00 0.00 176.35 175.06 2kh2 n GLN 32 N 4.91 2.00 0.00 1.98 6.02 -1.26 -4.78 117.38 126.24 2kh2 n GLN 32 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 2kh2 n GLN 32 Cb 0.45 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.71 2kh2 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kh2 n GLY 33 N 2.50 0.52 0.68 1.08 0.00 -1.26 -2.98 105.19 105.73 2kh2 n GLY 33 Ca 0.00 -0.89 0.10 0.00 0.00 0.00 0.00 46.02 45.23 2kh2 n GLY 33 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kh2 n GLN 34 N 0.00 1.89 -0.36 1.61 -0.06 -1.26 -3.62 117.38 115.58 2kh2 n GLN 34 Ca 0.00 -1.35 0.12 0.00 -2.00 0.00 0.00 57.00 53.77 2kh2 n GLN 34 Cb 0.00 -1.40 0.32 0.00 -4.06 0.00 0.00 30.24 25.09 2kh2 n GLN 34 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 2kh2 n ASP 35 N 0.57 3.93 0.11 1.69 4.64 -1.22 -4.33 116.55 121.94 2kh2 n ASP 35 Ca 0.16 -2.00 0.10 0.00 -1.38 0.00 0.00 54.79 51.67 2kh2 n ASP 35 Cb 0.38 -0.47 0.45 0.00 -1.04 0.00 0.00 41.12 40.44 2kh2 n ASP 35 CO 0.00 0.00 0.00 0.80 -0.82 0.00 0.00 177.20 177.18 2kh2 n MET 36 N 1.64 0.13 0.00 -0.67 1.56 -1.16 -2.99 117.12 115.64 2kh2 n MET 36 Ca 0.24 0.48 0.00 0.00 -0.27 0.00 0.00 57.70 58.15 2kh2 n MET 36 Cb 0.62 -1.82 0.00 0.00 2.15 0.00 0.00 33.22 34.18 2kh2 n MET 36 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2kh2 n GLU 37 N -2.08 0.73 -0.14 2.12 -0.58 -1.26 -2.45 120.64 116.99 2kh2 n GLU 37 Ca 0.01 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.87 2kh2 n GLU 37 Cb 0.14 -1.26 0.24 0.00 -0.57 0.00 0.00 31.44 29.99 2kh2 n GLU 37 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2kh2 n GLN 38 N -0.05 2.30 -2.12 3.49 6.02 -1.16 -4.95 117.38 120.91 2kh2 n GLN 38 Ca 0.00 -1.95 -0.41 0.00 -0.01 0.00 0.00 57.00 54.63 2kh2 n GLN 38 Cb 0.13 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 29.89 2kh2 n GLN 38 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2kh2 s GLN 39 N -1.64 4.34 0.12 -1.09 -2.07 -1.03 -4.75 119.66 113.55 2kh2 s GLN 39 Ca 0.36 2.19 -0.24 0.00 -1.82 0.00 0.00 55.36 55.85 2kh2 s GLN 39 Cb 0.21 -3.11 -0.07 0.00 -1.09 0.00 0.00 33.01 28.95 2kh2 s GLN 39 CO 0.30 -0.26 0.74 0.08 -1.32 0.00 0.00 175.29 174.83 2kh2 s VAL 40 N -0.51 4.52 -0.18 3.63 1.01 -1.07 -5.06 120.40 122.75 2kh2 s VAL 40 Ca 0.54 1.60 -0.07 0.00 0.00 0.00 0.00 61.98 64.06 2kh2 s VAL 40 Cb -0.39 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 2kh2 s VAL 40 CO 0.46 0.49 0.04 -0.69 0.00 0.00 0.00 175.10 175.40 2kh2 s VAL 41 N -0.87 4.56 -0.09 2.92 1.01 -1.26 -4.55 120.40 122.12 2kh2 s VAL 41 Ca 0.35 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 2kh2 s VAL 41 Cb -0.22 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 2kh2 s VAL 41 CO 0.24 0.46 0.01 -0.36 0.00 0.00 0.00 175.10 175.45 2kh2 s PHE 42 N 0.41 3.17 -0.20 5.22 0.40 -0.39 -1.35 117.98 125.24 2kh2 s PHE 42 Ca 0.01 0.20 -0.17 0.00 -0.60 0.00 0.00 56.93 56.37 2kh2 s PHE 42 Cb -0.13 -1.80 -0.04 0.00 0.51 0.00 0.00 43.02 41.57 2kh2 s PHE 42 CO 0.01 0.47 0.46 -1.12 0.70 0.00 0.00 175.22 175.74 2kh2 s SER 43 N -0.87 6.51 -0.48 1.36 0.01 0.89 -2.06 113.70 119.06 2kh2 s SER 43 Ca 0.13 0.61 -0.14 0.00 1.31 0.00 0.00 55.95 57.86 2kh2 s SER 43 Cb -0.11 -2.27 0.09 0.00 0.21 0.00 0.00 66.02 63.94 2kh2 s SER 43 CO 0.02 -0.13 0.40 -0.04 0.41 0.00 0.00 173.24 173.91 2kh2 s MET 44 N 1.45 2.90 -0.00 12.44 -1.94 0.11 -2.57 119.30 131.68 2kh2 s MET 44 Ca 0.22 -1.49 -0.21 0.00 -1.71 0.00 0.00 55.69 52.50 2kh2 s MET 44 Cb -0.15 -4.11 -0.05 0.00 2.01 0.00 0.00 34.83 32.52 2kh2 s MET 44 CO 0.09 -1.11 0.61 -1.12 -0.01 0.00 0.00 175.02 173.48 2kh2 s SER 45 N 2.80 6.99 -0.62 3.03 0.01 -1.16 -1.93 113.70 122.83 2kh2 s SER 45 Ca 0.04 1.18 -0.23 0.00 1.31 0.00 0.00 55.95 58.25 2kh2 s SER 45 Cb -0.26 -2.37 0.06 0.00 0.21 0.00 0.00 66.02 63.66 2kh2 s SER 45 CO 0.05 0.09 0.97 -0.36 0.41 0.00 0.00 173.24 174.39 2kh2 s PHE 46 N -0.15 2.70 0.00 2.43 0.40 0.34 -1.08 117.98 122.62 2kh2 s PHE 46 Ca 0.32 -0.33 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 2kh2 s PHE 46 Cb -0.18 -4.22 0.00 0.00 0.51 0.00 0.00 43.02 39.13 2kh2 s PHE 46 CO 0.18 -1.56 0.00 1.33 0.70 0.00 0.00 175.22 175.87 2kh2 n VAL 47 N 6.04 0.00 -3.86 -0.44 0.24 -1.16 -4.69 118.33 114.45 2kh2 n VAL 47 Ca -0.02 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.02 2kh2 n VAL 47 Cb 0.46 -1.50 -0.17 0.00 -1.47 0.00 0.00 33.84 31.17 2kh2 n VAL 47 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2kh2 s GLN 48 N 0.69 1.27 0.00 7.34 2.00 -1.24 -4.90 119.66 124.81 2kh2 s GLN 48 Ca 0.00 -0.29 0.00 0.00 -2.00 0.00 0.00 55.36 53.07 2kh2 s GLN 48 Cb 0.00 -1.66 0.00 0.00 0.80 0.00 0.00 33.01 32.15 2kh2 s GLN 48 CO 0.00 -0.36 0.00 0.41 -0.50 0.00 0.00 175.29 174.84 2kh2 n GLY 49 N 4.97 0.71 3.56 2.59 0.00 -1.26 -4.99 105.19 110.76 2kh2 n GLY 49 Ca -0.11 0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 2kh2 n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kh2 s GLU 50 N 3.73 2.78 0.11 1.61 2.56 -1.26 -4.95 118.70 123.28 2kh2 s GLU 50 Ca 0.00 -0.10 0.10 0.00 0.00 0.00 0.00 54.97 54.97 2kh2 s GLU 50 Cb 0.00 -4.79 -0.04 0.00 2.00 0.00 0.00 34.13 31.30 2kh2 s GLU 50 CO 0.00 -2.89 -0.25 -2.00 -0.56 0.00 0.00 175.26 169.57 2kh2 s GLU 51 N 6.62 1.56 0.00 4.30 2.12 -1.26 -3.33 118.70 128.71 2kh2 s GLU 51 Ca 0.62 -1.27 0.00 0.00 0.36 0.00 0.00 54.97 54.68 2kh2 s GLU 51 Cb -0.08 -1.97 0.00 0.00 0.26 0.00 0.00 34.13 32.34 2kh2 s GLU 51 CO 0.07 0.47 0.00 -1.13 -0.54 0.00 0.00 175.26 174.12 2kh2 n SER 52 N 1.02 0.00 -0.27 -1.70 3.41 0.17 -4.97 113.62 111.28 2kh2 n SER 52 Ca -0.17 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.58 2kh2 n SER 52 Cb 0.53 0.00 0.53 0.00 -0.26 0.00 0.00 64.21 65.00 2kh2 n SER 52 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2kh2 n ASN 53 N 0.00 0.97 0.00 4.04 4.13 -1.26 -4.42 115.26 118.71 2kh2 n ASN 53 Ca 0.00 -1.02 0.00 0.00 1.68 0.00 0.00 54.58 55.24 2kh2 n ASN 53 Cb 0.00 0.03 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 2kh2 n ASN 53 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 2kh2 n ASP 54 N -0.48 0.00 -4.61 6.41 5.75 -1.26 -5.06 116.55 117.31 2kh2 n ASP 54 Ca 0.16 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.53 2kh2 n ASP 54 Cb 0.31 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.33 2kh2 n ASP 54 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2kh2 s LYS 55 N -1.00 3.99 -0.11 0.11 1.02 -1.25 -3.03 119.74 119.45 2kh2 s LYS 55 Ca 0.00 0.30 0.02 0.00 0.02 0.00 0.00 55.97 56.31 2kh2 s LYS 55 Cb 0.00 -3.69 -0.01 0.00 -0.52 0.00 0.00 37.83 33.62 2kh2 s LYS 55 CO 0.00 -0.45 -0.19 0.42 -0.92 0.00 0.00 175.35 174.21 2kh2 s ILE 56 N 2.43 2.49 -0.32 2.17 -1.09 -0.15 -0.65 121.20 126.07 2kh2 s ILE 56 Ca 0.23 -0.86 -0.27 0.00 -2.23 0.00 0.00 60.65 57.51 2kh2 s ILE 56 Cb -0.15 -2.00 0.01 0.00 -1.58 0.00 0.00 42.46 38.74 2kh2 s ILE 56 CO 0.10 0.54 0.98 -2.16 -1.23 0.00 0.00 174.94 173.18 2kh2 s PRO 57 N 0.35 4.01 0.16 2.79 0.04 -1.21 -0.13 135.00 141.01 2kh2 s PRO 57 Ca -0.15 0.89 -0.01 0.00 0.04 0.00 0.00 61.00 61.76 2kh2 s PRO 57 Cb -0.17 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 2kh2 s PRO 57 CO 0.07 -0.85 0.10 0.14 0.04 0.00 0.00 177.00 176.51 2kh2 s VAL 58 N 3.44 0.05 0.20 -0.36 -7.23 -0.21 -3.01 120.40 113.30 2kh2 s VAL 58 Ca 0.41 -1.93 0.07 0.00 -1.81 0.00 0.00 61.98 58.72 2kh2 s VAL 58 Cb -0.13 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 2kh2 s VAL 58 CO 0.15 -0.25 0.11 0.00 -0.31 0.00 0.00 175.10 174.80 2kh2 s ALA 59 N -4.10 3.46 -0.24 1.32 0.00 -0.24 -0.49 121.76 121.47 2kh2 s ALA 59 Ca 0.30 -1.35 -0.00 0.00 0.00 0.00 0.00 51.96 50.91 2kh2 s ALA 59 Cb 0.07 -1.21 0.07 0.00 0.00 0.00 0.00 23.12 22.05 2kh2 s ALA 59 CO 0.06 0.40 -0.01 -0.51 0.00 0.00 0.00 175.76 175.71 2kh2 s LEU 60 N -3.35 2.27 0.16 0.00 1.43 -1.26 -2.96 118.68 114.97 2kh2 s LEU 60 Ca 0.31 -1.19 0.04 0.00 -1.03 0.00 0.00 54.13 52.25 2kh2 s LEU 60 Cb -0.09 -1.01 -0.05 0.00 0.03 0.00 0.00 46.19 45.08 2kh2 s LEU 60 CO 0.22 -0.28 -0.07 -0.83 0.23 0.00 0.00 176.35 175.62 2kh2 s GLY 61 N 1.52 1.15 0.17 -3.19 0.00 -1.06 -0.70 107.32 105.21 2kh2 s GLY 61 Ca -0.02 -1.54 -0.30 0.00 0.00 0.00 0.00 44.72 42.86 2kh2 s GLY 61 CO -0.09 -1.59 1.05 1.08 0.00 0.00 0.00 173.10 173.55 2kh2 s LEU 62 N -3.18 4.51 0.21 0.66 1.02 0.25 -0.08 118.68 122.07 2kh2 s LEU 62 Ca 0.19 2.00 -0.32 0.00 0.02 0.00 0.00 54.13 56.02 2kh2 s LEU 62 Cb 0.04 -3.60 -0.14 0.00 0.02 0.00 0.00 46.19 42.51 2kh2 s LEU 62 CO 0.02 -0.14 1.46 1.17 0.02 0.00 0.00 176.35 178.88 2kh2 n LYS 63 N 2.39 2.04 -3.53 1.70 4.81 -0.46 -2.09 118.16 123.02 2kh2 n LYS 63 Ca 0.02 0.73 -0.26 0.00 -0.87 0.00 0.00 58.31 57.94 2kh2 n LYS 63 Cb 0.47 -2.42 -0.01 0.00 0.02 0.00 0.00 35.03 33.09 2kh2 n LYS 63 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2kh2 n GLU 64 N 2.51 -3.36 -4.07 1.64 0.00 -1.26 -4.95 120.64 111.16 2kh2 n GLU 64 Ca 0.14 0.44 -0.08 0.00 0.00 0.00 0.00 57.16 57.66 2kh2 n GLU 64 Cb 0.30 -5.15 -0.10 0.00 0.00 0.00 0.00 31.44 26.49 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2kh2 s LYS 65 N -6.19 0.72 -0.30 3.44 1.02 -0.89 -5.04 119.74 112.50 2kh2 s LYS 65 Ca 0.47 -1.22 0.09 0.00 0.02 0.00 0.00 55.97 55.32 2kh2 s LYS 65 Cb -0.25 0.24 0.70 0.00 -0.52 0.00 0.00 37.83 38.00 2kh2 s LYS 65 CO 0.58 -0.17 1.73 0.27 -0.92 0.00 0.00 175.35 176.84 2kh2 n ASN 66 N 0.04 4.69 -4.53 2.83 6.94 -1.26 -4.62 115.26 119.35 2kh2 n ASN 66 Ca -0.12 -3.11 -0.38 0.00 -0.02 0.00 0.00 54.58 50.95 2kh2 n ASN 66 Cb 0.62 -0.73 -0.12 0.00 -2.36 0.00 0.00 39.78 37.19 2kh2 n ASN 66 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2kh2 s LEU 67 N -2.74 3.86 0.10 -4.53 1.43 -1.26 -0.94 118.68 114.59 2kh2 s LEU 67 Ca 0.51 -0.13 0.09 0.00 -1.03 0.00 0.00 54.13 53.57 2kh2 s LEU 67 Cb 0.41 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 2kh2 s LEU 67 CO 0.13 -0.06 -0.23 -0.31 0.23 0.00 0.00 176.35 176.11 2kh2 s TYR 68 N 1.70 1.95 -0.19 0.29 1.51 -0.83 -0.58 117.35 121.21 2kh2 s TYR 68 Ca 0.07 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.43 2kh2 s TYR 68 Cb -0.16 -1.08 -0.02 0.00 -0.11 0.00 0.00 41.96 40.58 2kh2 s TYR 68 CO 0.08 0.22 1.45 -0.51 -1.11 0.00 0.00 175.55 175.68 2kh2 s LEU 69 N -1.80 4.06 -0.09 -1.29 1.43 0.12 -1.30 118.68 119.82 2kh2 s LEU 69 Ca 0.09 1.68 0.02 0.00 -1.03 0.00 0.00 54.13 54.89 2kh2 s LEU 69 Cb -0.10 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 2kh2 s LEU 69 CO 0.04 -1.00 -0.16 -0.55 0.23 0.00 0.00 176.35 174.91 2kh2 s SER 70 N 3.07 3.82 -0.27 2.29 0.15 0.65 -4.50 113.70 118.90 2kh2 s SER 70 Ca 0.64 -0.32 -0.05 0.00 0.70 0.00 0.00 55.95 56.92 2kh2 s SER 70 Cb -0.24 -1.21 0.01 0.00 -1.71 0.00 0.00 66.02 62.87 2kh2 s SER 70 CO 0.23 0.24 0.01 0.00 1.20 0.00 0.00 173.24 174.93 2kh2 s VAL 72 N 1.43 0.02 -0.29 0.00 -7.23 -0.70 -4.70 120.40 108.93 2kh2 s VAL 72 Ca 0.02 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.00 2kh2 s VAL 72 Cb -0.17 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 2kh2 s VAL 72 CO -0.01 0.00 0.55 -0.76 -0.31 0.00 0.00 175.10 174.57 2kh2 s LEU 73 N -3.22 4.14 -0.20 1.32 1.43 -1.26 0.36 118.68 121.24 2kh2 s LEU 73 Ca 0.39 0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.88 2kh2 s LEU 73 Cb 0.06 -2.69 0.04 0.00 0.03 0.00 0.00 46.19 43.63 2kh2 s LEU 73 CO 0.16 -0.38 -0.14 -0.54 0.23 0.00 0.00 176.35 175.67 2kh2 s LYS 74 N 2.42 2.47 -1.12 1.70 1.02 0.93 -4.74 119.74 122.40 2kh2 s LYS 74 Ca 0.22 -0.95 -0.05 0.00 0.02 0.00 0.00 55.97 55.21 2kh2 s LYS 74 Cb -0.15 -2.57 -0.04 0.00 -0.52 0.00 0.00 37.83 34.54 2kh2 s LYS 74 CO 0.11 -0.37 0.92 -3.47 -0.92 0.00 0.00 175.35 171.62 2kh2 n ASP 75 N 4.60 -4.70 -1.91 2.83 -0.08 -1.26 -2.50 116.55 113.53 2kh2 n ASP 75 Ca -0.17 -0.72 -0.20 0.00 -1.51 0.00 0.00 54.79 52.20 2kh2 n ASP 75 Cb 0.47 -4.95 -0.05 0.00 2.34 0.00 0.00 41.12 38.93 2kh2 n ASP 75 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kh2 n ASP 76 N -3.14 -5.35 -3.70 1.67 9.92 -1.26 -4.96 116.55 109.72 2kh2 n ASP 76 Ca -0.16 0.29 -0.11 0.00 -0.53 0.00 0.00 54.79 54.28 2kh2 n ASP 76 Cb 0.64 -4.63 -0.12 0.00 -0.64 0.00 0.00 41.12 36.37 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2kh2 s LYS 77 N -4.23 0.30 0.14 -1.24 2.47 -1.04 -5.13 119.74 111.01 2kh2 s LYS 77 Ca 0.00 0.70 -0.31 0.00 -1.56 0.00 0.00 55.97 54.80 2kh2 s LYS 77 Cb 0.00 -0.04 -0.10 0.00 -1.46 0.00 0.00 37.83 36.22 2kh2 s LYS 77 CO 0.00 -0.17 1.74 -2.14 0.16 0.00 0.00 175.35 174.93 2kh2 s PRO 78 N 1.48 4.16 0.05 4.03 0.02 -1.26 -0.05 135.00 143.43 2kh2 s PRO 78 Ca -0.08 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.46 2kh2 s PRO 78 Cb -0.10 -3.41 -0.03 0.00 0.02 0.00 0.00 34.50 30.98 2kh2 s PRO 78 CO -0.11 -0.77 -0.04 0.99 -0.33 0.00 0.00 177.00 176.74 2kh2 s THR 79 N 2.12 0.31 0.08 0.99 2.01 0.16 -4.71 115.64 116.59 2kh2 s THR 79 Ca 0.77 -1.56 -0.11 0.00 0.31 0.00 0.00 61.69 61.09 2kh2 s THR 79 Cb -0.45 -1.18 -0.06 0.00 0.01 0.00 0.00 72.50 70.82 2kh2 s THR 79 CO 0.34 -0.81 0.43 -0.22 -0.69 0.00 0.00 174.62 173.67 2kh2 s LEU 80 N -2.49 4.37 0.19 4.42 2.96 -1.26 -1.72 118.68 125.15 2kh2 s LEU 80 Ca 0.01 0.86 -0.12 0.00 -0.22 0.00 0.00 54.13 54.66 2kh2 s LEU 80 Cb 0.02 -2.97 0.00 0.00 0.50 0.00 0.00 46.19 43.75 2kh2 s LEU 80 CO -0.06 0.18 0.40 0.00 -1.32 0.00 0.00 176.35 175.55 2kh2 s GLN 81 N -1.79 1.29 -0.34 1.98 -2.07 0.55 -4.90 119.66 114.38 2kh2 s GLN 81 Ca 0.32 -1.08 -0.12 0.00 -1.82 0.00 0.00 55.36 52.66 2kh2 s GLN 81 Cb -0.14 0.44 -0.01 0.00 -1.09 0.00 0.00 33.01 32.21 2kh2 s GLN 81 CO 0.17 -0.51 0.22 -0.51 -1.32 0.00 0.00 175.29 173.34 2kh2 s LEU 82 N -2.94 4.48 -0.18 2.60 2.01 -1.26 -0.25 118.68 123.13 2kh2 s LEU 82 Ca 0.15 -0.55 -0.06 0.00 0.01 0.00 0.00 54.13 53.68 2kh2 s LEU 82 Cb 0.01 -2.09 -0.03 0.00 0.01 0.00 0.00 46.19 44.09 2kh2 s LEU 82 CO 0.00 -0.26 0.03 -0.70 1.01 0.00 0.00 176.35 176.43 2kh2 s GLU 83 N 1.67 3.81 -0.24 1.70 2.12 -0.42 -4.92 118.70 122.43 2kh2 s GLU 83 Ca 0.05 -0.43 -0.28 0.00 0.36 0.00 0.00 54.97 54.67 2kh2 s GLU 83 Cb -0.18 -3.12 0.01 0.00 0.26 0.00 0.00 34.13 31.10 2kh2 s GLU 83 CO 0.09 0.19 1.00 -1.12 -0.54 0.00 0.00 175.26 174.88 2kh2 s SER 84 N 0.55 7.04 0.30 -1.70 0.01 -1.26 -1.96 113.70 116.67 2kh2 s SER 84 Ca 0.01 1.29 0.10 0.00 1.31 0.00 0.00 55.95 58.66 2kh2 s SER 84 Cb -0.13 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.53 2kh2 s SER 84 CO 0.02 -0.65 -0.03 0.68 0.41 0.00 0.00 173.24 173.67 2kh2 s VAL 85 N 3.15 2.99 -0.15 3.43 -7.23 -0.12 -5.03 120.40 117.43 2kh2 s VAL 85 Ca 0.42 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 58.29 2kh2 s VAL 85 Cb -0.15 -2.74 -0.06 0.00 0.56 0.00 0.00 36.38 34.00 2kh2 s VAL 85 CO 0.07 -0.31 2.06 -0.62 -0.31 0.00 0.00 175.10 175.99 2kh2 s ASP 86 N -3.67 5.86 0.57 4.85 3.68 -1.26 -4.80 116.67 121.90 2kh2 s ASP 86 Ca 0.33 2.06 0.38 0.00 2.13 0.00 0.00 52.55 57.45 2kh2 s ASP 86 Cb -0.04 -2.52 1.90 0.00 -1.45 0.00 0.00 42.92 40.81 2kh2 s ASP 86 CO 0.19 -1.61 2.14 1.55 0.13 0.00 0.00 175.17 177.57 2kh2 h PRO 87 N 13.20 0.00 0.00 4.34 0.13 -1.92 -1.65 132.00 146.10 2kh2 h PRO 87 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2kh2 h PRO 87 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kh2 h PRO 87 CO 0.96 0.00 -0.90 0.36 -0.23 0.00 0.00 178.00 178.19 2kh2 n LYS 88 N -2.94 0.37 -0.06 0.86 2.85 -1.26 -4.04 118.16 113.92 2kh2 n LYS 88 Ca -0.01 0.05 0.03 0.00 -1.05 0.00 0.00 58.31 57.33 2kh2 n LYS 88 Cb 0.15 -1.67 0.06 0.00 -0.65 0.00 0.00 35.03 32.92 2kh2 n LYS 88 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2kh2 n ASN 89 N -2.17 2.18 -4.04 -5.58 3.02 -0.85 -4.99 115.26 102.81 2kh2 n ASN 89 Ca 0.02 -1.76 -0.20 0.00 -0.03 0.00 0.00 54.58 52.61 2kh2 n ASN 89 Cb 0.46 -0.08 -0.15 0.00 -0.61 0.00 0.00 39.78 39.40 2kh2 n ASN 89 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2kh2 s TYR 90 N -0.84 0.96 0.09 3.10 1.51 -0.68 -4.39 117.35 117.10 2kh2 s TYR 90 Ca 0.11 -0.19 -0.01 0.00 -1.01 0.00 0.00 57.07 55.97 2kh2 s TYR 90 Cb 0.06 -0.63 0.02 0.00 -0.11 0.00 0.00 41.96 41.30 2kh2 s TYR 90 CO 0.08 -0.03 0.12 -0.35 -1.11 0.00 0.00 175.55 174.26 2kh2 n PRO 91 N 2.88 0.05 -3.81 -1.71 -0.04 -1.26 -4.76 135.00 126.36 2kh2 n PRO 91 Ca -0.14 -0.21 -0.09 0.00 -0.04 0.00 0.00 63.50 63.01 2kh2 n PRO 91 Cb 0.56 -0.11 -0.04 0.00 -0.04 0.00 0.00 33.50 33.87 2kh2 n PRO 91 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2kh2 s LYS 92 N -3.11 1.47 0.04 0.54 -2.85 -1.26 -5.07 119.74 109.49 2kh2 s LYS 92 Ca 0.07 -0.96 -0.26 0.00 -1.00 0.00 0.00 55.97 53.82 2kh2 s LYS 92 Cb -0.00 0.52 -0.17 0.00 -2.06 0.00 0.00 37.83 36.12 2kh2 s LYS 92 CO 0.05 -0.63 1.45 -0.22 0.10 0.00 0.00 175.35 176.10 2kh2 h LYS 93 N 2.18 -0.26 -3.90 1.78 3.11 -1.96 -3.37 116.57 114.15 2kh2 h LYS 93 Ca -0.27 0.02 -0.77 0.00 -2.81 0.00 0.00 60.65 56.82 2kh2 h LYS 93 Cb 1.26 0.06 -0.27 0.00 -1.00 0.00 0.00 32.23 32.28 2kh2 h LYS 93 CO 0.35 -0.01 -0.07 0.21 -2.81 0.00 0.00 179.45 177.12 2kh2 s LYS 94 N -5.23 3.25 0.81 1.90 2.47 -1.26 -3.71 119.74 117.97 2kh2 s LYS 94 Ca -0.15 -2.25 -0.07 0.00 -1.56 0.00 0.00 55.97 51.94 2kh2 s LYS 94 Cb 0.03 -4.27 0.17 0.00 -1.46 0.00 0.00 37.83 32.31 2kh2 s LYS 94 CO 0.62 -1.28 1.11 -1.33 0.16 0.00 0.00 175.35 174.63 2kh2 n MET 95 N 4.26 -0.60 -2.60 4.03 2.81 -1.26 -5.06 117.12 118.70 2kh2 n MET 95 Ca 0.05 -2.36 -0.35 0.00 -1.81 0.00 0.00 57.70 53.24 2kh2 n MET 95 Cb 0.44 -0.94 -0.04 0.00 -0.71 0.00 0.00 33.22 31.96 2kh2 n MET 95 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2kh2 s GLU 96 N -5.37 4.06 0.56 0.03 8.01 -1.26 -4.94 118.70 119.79 2kh2 s GLU 96 Ca 0.68 1.39 0.27 0.00 0.01 0.00 0.00 54.97 57.32 2kh2 s GLU 96 Cb -0.03 -2.33 1.66 0.00 -4.31 0.00 0.00 34.13 29.11 2kh2 s GLU 96 CO 0.46 -0.21 2.19 -0.22 0.01 0.00 0.00 175.26 177.50 2kh2 h LYS 97 N 2.10 0.00 0.00 1.61 3.64 -1.97 -0.14 116.57 121.81 2kh2 h LYS 97 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2kh2 h LYS 97 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2kh2 h LYS 97 CO 0.61 0.04 0.00 2.89 -2.27 0.00 0.00 179.45 180.72 2kh2 n ARG 98 N -3.88 0.40 -0.00 1.90 1.85 -1.26 -2.77 116.66 112.90 2kh2 n ARG 98 Ca -0.03 0.02 0.04 0.00 -1.00 0.00 0.00 57.85 56.88 2kh2 n ARG 98 Cb 0.12 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 30.07 2kh2 n ARG 98 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2kh2 n PHE 99 N -1.28 0.01 -3.77 2.89 3.72 -0.09 -1.03 117.46 117.91 2kh2 n PHE 99 Ca 0.13 -0.02 -0.36 0.00 -0.05 0.00 0.00 57.45 57.16 2kh2 n PHE 99 Cb 0.22 -0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.66 2kh2 n PHE 99 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2kh2 s VAL 100 N -0.60 5.08 0.14 -4.37 1.01 -1.07 -4.05 120.40 116.54 2kh2 s VAL 100 Ca 0.08 0.08 0.10 0.00 0.00 0.00 0.00 61.98 62.24 2kh2 s VAL 100 Cb 0.06 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2kh2 s VAL 100 CO 0.09 0.38 -0.21 -0.36 0.00 0.00 0.00 175.10 175.00 2kh2 s PHE 101 N 0.91 2.44 -0.41 5.22 0.08 0.36 -2.53 117.98 124.05 2kh2 s PHE 101 Ca 0.06 -0.31 -0.12 0.00 0.12 0.00 0.00 56.93 56.68 2kh2 s PHE 101 Cb -0.13 -1.28 0.05 0.00 -0.57 0.00 0.00 43.02 41.09 2kh2 s PHE 101 CO 0.03 0.41 0.27 1.21 -0.10 0.00 0.00 175.22 177.04 2kh2 s ASN 102 N -2.29 5.85 -0.53 1.36 3.04 0.20 -1.04 114.94 121.52 2kh2 s ASN 102 Ca 0.18 -1.18 -0.28 0.00 0.04 0.00 0.00 52.86 51.62 2kh2 s ASN 102 Cb -0.10 -2.07 0.02 0.00 -1.54 0.00 0.00 41.25 37.56 2kh2 s ASN 102 CO 0.09 -0.49 1.35 -0.75 -3.04 0.00 0.00 177.10 174.27 2kh2 s LYS 103 N 1.56 3.42 0.05 0.43 2.20 0.81 -1.35 119.74 126.86 2kh2 s LYS 103 Ca 0.03 0.51 -0.20 0.00 -0.36 0.00 0.00 55.97 55.95 2kh2 s LYS 103 Cb -0.21 -4.07 -0.06 0.00 -1.51 0.00 0.00 37.83 31.98 2kh2 s LYS 103 CO 0.06 -1.78 0.58 0.42 -0.36 0.00 0.00 175.35 174.27 2kh2 s ILE 104 N 5.62 4.79 -0.62 5.43 1.01 0.12 -0.98 121.20 136.56 2kh2 s ILE 104 Ca 0.52 1.24 0.06 0.00 0.00 0.00 0.00 60.65 62.47 2kh2 s ILE 104 Cb -0.10 -3.92 0.24 0.00 0.01 0.00 0.00 42.46 38.69 2kh2 s ILE 104 CO 0.27 0.51 0.69 -0.62 0.00 0.00 0.00 174.94 175.79 2kh2 n GLU 105 N 2.07 2.24 0.21 2.79 1.02 -1.17 -1.21 120.64 126.60 2kh2 n GLU 105 Ca -0.09 -4.49 -0.08 0.00 -0.02 0.00 0.00 57.16 52.48 2kh2 n GLU 105 Cb 0.51 -2.15 -0.04 0.00 -0.02 0.00 0.00 31.44 29.74 2kh2 n GLU 105 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 2kh2 h ILE 106 N 3.21 0.00 0.00 -3.67 3.07 -1.91 -3.48 117.51 114.73 2kh2 h ILE 106 Ca 0.18 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 66.50 2kh2 h ILE 106 Cb 0.70 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.25 2kh2 h ILE 106 CO 0.78 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.42 2kh2 n ASN 107 N -3.76 0.00 -0.55 2.16 0.23 -1.26 -4.98 115.26 107.10 2kh2 n ASN 107 Ca -0.07 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.04 2kh2 n ASN 107 Cb 0.22 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.02 2kh2 n ASN 107 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2kh2 n ASN 108 N 0.00 2.48 -4.39 0.53 5.03 -1.26 -4.96 115.26 112.68 2kh2 n ASN 108 Ca 0.00 -1.76 -0.30 0.00 0.87 0.00 0.00 54.58 53.39 2kh2 n ASN 108 Cb 0.00 -0.13 -0.14 0.00 -1.02 0.00 0.00 39.78 38.50 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2kh2 s LYS 109 N -0.97 1.86 -0.10 3.52 -0.14 -1.26 -4.95 119.74 117.70 2kh2 s LYS 109 Ca 0.19 -1.09 -0.01 0.00 -1.36 0.00 0.00 55.97 53.69 2kh2 s LYS 109 Cb 0.11 -2.05 -0.03 0.00 -1.68 0.00 0.00 37.83 34.18 2kh2 s LYS 109 CO 0.15 0.51 -0.03 -0.51 -0.76 0.00 0.00 175.35 174.71 2kh2 s LEU 110 N -1.43 3.36 0.13 3.17 1.43 0.13 -3.77 118.68 121.69 2kh2 s LEU 110 Ca 0.13 0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.32 2kh2 s LEU 110 Cb -0.10 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 2kh2 s LEU 110 CO 0.04 0.32 -0.07 -1.61 0.23 0.00 0.00 176.35 175.26 2kh2 s GLU 111 N -0.54 2.21 -0.35 1.70 2.02 -0.35 0.20 118.70 123.60 2kh2 s GLU 111 Ca 0.09 -1.06 0.01 0.00 0.02 0.00 0.00 54.97 54.03 2kh2 s GLU 111 Cb -0.12 -2.32 0.10 0.00 0.10 0.00 0.00 34.13 31.89 2kh2 s GLU 111 CO 0.02 0.49 0.08 -0.06 0.02 0.00 0.00 175.26 175.81 2kh2 s PHE 112 N -1.39 3.63 -0.02 1.61 0.08 -1.26 0.11 117.98 120.73 2kh2 s PHE 112 Ca 0.24 -2.67 -0.14 0.00 0.12 0.00 0.00 56.93 54.47 2kh2 s PHE 112 Cb -0.10 -2.87 -0.05 0.00 -0.57 0.00 0.00 43.02 39.42 2kh2 s PHE 112 CO 0.15 -0.94 0.39 -2.00 -0.10 0.00 0.00 175.22 172.72 2kh2 s GLU 113 N 1.02 3.94 0.03 0.44 2.12 -0.46 -2.52 118.70 123.27 2kh2 s GLU 113 Ca 0.07 0.36 -0.30 0.00 0.36 0.00 0.00 54.97 55.46 2kh2 s GLU 113 Cb -0.20 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 2kh2 s GLU 113 CO -0.06 0.64 1.08 0.45 -0.54 0.00 0.00 175.26 176.83 2kh2 s SER 114 N -0.87 7.24 0.17 -1.70 0.15 0.04 0.59 113.70 119.31 2kh2 s SER 114 Ca 0.23 1.83 -0.07 0.00 0.70 0.00 0.00 55.95 58.63 2kh2 s SER 114 Cb -0.16 -2.57 0.04 0.00 -1.71 0.00 0.00 66.02 61.61 2kh2 s SER 114 CO 0.12 -0.35 1.49 0.00 1.20 0.00 0.00 173.24 175.70 2kh2 h ALA 115 N 6.76 0.64 -0.54 5.45 0.00 -1.72 -3.04 119.26 126.81 2kh2 h ALA 115 Ca -0.41 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 53.92 2kh2 h ALA 115 Cb 1.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2kh2 h ALA 115 CO 0.78 0.67 -0.05 0.37 0.00 0.00 0.00 179.25 181.02 2kh2 h GLN 116 N 0.61 0.96 -3.55 0.00 5.75 -1.78 -3.38 115.11 113.72 2kh2 h GLN 116 Ca 0.04 -0.31 -0.62 0.00 -0.15 0.00 0.00 58.65 57.60 2kh2 h GLN 116 Cb 1.03 -0.08 -0.40 0.00 1.07 0.00 0.00 27.48 29.09 2kh2 h GLN 116 CO 0.10 0.98 -0.71 -0.06 -2.65 0.00 0.00 178.83 176.48 2kh2 s PHE 117 N -4.92 2.59 0.48 3.99 0.08 -1.16 -5.10 117.98 113.94 2kh2 s PHE 117 Ca -0.11 -2.59 -0.24 0.00 0.12 0.00 0.00 56.93 54.11 2kh2 s PHE 117 Cb 0.14 -2.30 -0.07 0.00 -0.57 0.00 0.00 43.02 40.22 2kh2 s PHE 117 CO 0.85 -0.83 1.39 -2.14 -0.10 0.00 0.00 175.22 174.39 2kh2 s PRO 118 N 0.56 3.50 0.00 0.24 0.02 -1.17 -2.22 135.00 135.94 2kh2 s PRO 118 Ca 0.15 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.49 2kh2 s PRO 118 Cb -0.22 -2.51 0.00 0.00 0.02 0.00 0.00 34.50 31.79 2kh2 s PRO 118 CO -0.06 -0.93 0.00 0.09 -0.33 0.00 0.00 177.00 175.77 2kh2 n ASN 119 N -0.49 -0.10 -4.40 2.53 5.03 -1.26 -4.98 115.26 111.59 2kh2 n ASN 119 Ca 0.07 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.13 2kh2 n ASN 119 Cb 0.43 -0.43 -0.12 0.00 -1.02 0.00 0.00 39.78 38.64 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2kh2 s TRP 120 N -3.46 3.20 0.22 3.10 0.52 -0.94 -4.35 118.94 117.23 2kh2 s TRP 120 Ca 0.00 -0.79 0.10 0.00 0.02 0.00 0.00 56.10 55.43 2kh2 s TRP 120 Cb 0.00 -2.36 -0.04 0.00 -1.15 0.00 0.00 33.47 29.92 2kh2 s TRP 120 CO 0.00 -0.54 -0.14 0.71 0.02 0.00 0.00 176.95 177.00 2kh2 s TYR 121 N 1.57 2.48 -0.12 -1.98 1.51 0.86 -0.78 117.35 120.89 2kh2 s TYR 121 Ca 0.03 -0.28 -0.29 0.00 -1.01 0.00 0.00 57.07 55.52 2kh2 s TYR 121 Cb -0.18 -1.17 -0.05 0.00 -0.11 0.00 0.00 41.96 40.46 2kh2 s TYR 121 CO 0.06 0.57 1.72 0.42 -1.11 0.00 0.00 175.55 177.21 2kh2 s ILE 122 N -1.98 3.52 0.18 2.71 1.01 -1.05 -0.80 121.20 124.80 2kh2 s ILE 122 Ca 0.26 0.61 0.09 0.00 0.00 0.00 0.00 60.65 61.61 2kh2 s ILE 122 Cb -0.07 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 2kh2 s ILE 122 CO 0.15 -0.14 -0.10 -0.44 0.00 0.00 0.00 174.94 174.41 2kh2 s SER 123 N 4.19 4.22 -0.02 3.58 0.01 0.40 -4.36 113.70 121.72 2kh2 s SER 123 Ca 0.76 -0.59 -0.02 0.00 1.31 0.00 0.00 55.95 57.42 2kh2 s SER 123 Cb -0.31 -0.70 0.01 0.00 0.21 0.00 0.00 66.02 65.22 2kh2 s SER 123 CO 0.31 0.11 0.06 0.42 0.41 0.00 0.00 173.24 174.55 2kh2 s THR 124 N -1.69 -0.00 0.82 1.44 -4.23 -0.55 -2.88 115.64 108.55 2kh2 s THR 124 Ca 0.25 0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.65 2kh2 s THR 124 Cb -0.09 -0.10 0.10 0.00 1.34 0.00 0.00 72.50 73.75 2kh2 s THR 124 CO 0.15 0.00 1.18 -0.44 -0.54 0.00 0.00 174.62 174.97 2kh2 s SER 125 N 0.09 4.33 0.29 3.99 0.01 -1.26 0.05 113.70 121.21 2kh2 s SER 125 Ca -0.00 0.66 0.15 0.00 1.31 0.00 0.00 55.95 58.07 2kh2 s SER 125 Cb -0.01 -1.10 0.25 0.00 0.21 0.00 0.00 66.02 65.37 2kh2 s SER 125 CO -0.00 -1.99 1.53 1.56 0.41 0.00 0.00 173.24 174.74 2kh2 h GLN 126 N -1.09 0.00 -7.13 12.44 1.08 -1.98 -3.46 115.11 114.97 2kh2 h GLN 126 Ca -0.46 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.23 2kh2 h GLN 126 Cb 1.31 0.00 0.11 0.00 -0.05 0.00 0.00 27.48 28.85 2kh2 h GLN 126 CO 0.61 0.51 0.43 0.00 -0.95 0.00 0.00 178.83 179.43 2kh2 s ALA 127 N -3.15 2.50 0.38 3.87 0.00 -1.26 -5.01 121.76 119.09 2kh2 s ALA 127 Ca 0.02 0.84 -0.21 0.00 0.00 0.00 0.00 51.96 52.61 2kh2 s ALA 127 Cb 0.09 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 2kh2 s ALA 127 CO 0.73 -1.19 0.91 -2.00 0.00 0.00 0.00 175.76 174.20 2kh2 s GLU 128 N -3.58 4.27 -0.81 0.00 2.56 -1.26 -3.92 118.70 115.95 2kh2 s GLU 128 Ca 0.73 1.08 -0.00 0.00 0.00 0.00 0.00 54.97 56.78 2kh2 s GLU 128 Cb -0.26 -2.37 0.00 0.00 2.00 0.00 0.00 34.13 33.49 2kh2 s GLU 128 CO 0.35 0.08 0.04 -1.71 -0.56 0.00 0.00 175.26 173.46 2kh2 n ASN 129 N -0.30 -3.35 -4.82 -1.70 5.15 -1.21 -5.02 115.26 104.02 2kh2 n ASN 129 Ca 0.05 -0.03 -0.38 0.00 -0.60 0.00 0.00 54.58 53.62 2kh2 n ASN 129 Cb 0.53 -2.56 -0.06 0.00 -0.53 0.00 0.00 39.78 37.16 2kh2 n ASN 129 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2kh2 s MET 130 N -4.57 4.03 1.02 1.20 -1.94 -1.19 -4.84 119.30 113.01 2kh2 s MET 130 Ca 0.02 0.50 -0.15 0.00 -1.71 0.00 0.00 55.69 54.35 2kh2 s MET 130 Cb -0.01 -3.24 0.20 0.00 2.01 0.00 0.00 34.83 33.79 2kh2 s MET 130 CO 0.03 0.63 1.15 -1.25 -0.01 0.00 0.00 175.02 175.57 2kh2 s PRO 131 N -0.93 0.23 -0.25 2.03 0.04 -1.26 -0.04 135.00 134.82 2kh2 s PRO 131 Ca 0.25 0.09 -0.14 0.00 0.04 0.00 0.00 61.00 61.25 2kh2 s PRO 131 Cb -0.17 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2kh2 s PRO 131 CO 0.15 -2.78 0.31 0.08 0.04 0.00 0.00 177.00 174.80 2kh2 s VAL 132 N -3.26 5.23 0.29 -0.36 1.01 -1.11 -4.71 120.40 117.48 2kh2 s VAL 132 Ca 0.68 0.46 0.02 0.00 0.00 0.00 0.00 61.98 63.14 2kh2 s VAL 132 Cb -0.12 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 2kh2 s VAL 132 CO 0.55 0.22 0.11 0.72 0.00 0.00 0.00 175.10 176.70 2kh2 s PHE 133 N 1.70 1.62 -0.17 5.22 -0.71 -1.14 -4.78 117.98 119.72 2kh2 s PHE 133 Ca 0.13 -1.21 -0.07 0.00 -1.04 0.00 0.00 56.93 54.75 2kh2 s PHE 133 Cb -0.15 -0.95 -0.04 0.00 -1.21 0.00 0.00 43.02 40.67 2kh2 s PHE 133 CO 0.09 -0.34 0.05 -1.17 -1.34 0.00 0.00 175.22 172.51 2kh2 s LEU 134 N -3.37 3.78 0.18 -1.99 2.96 -1.26 -0.45 118.68 118.53 2kh2 s LEU 134 Ca 0.36 0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 54.34 2kh2 s LEU 134 Cb 0.07 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 2kh2 s LEU 134 CO 0.15 0.19 0.11 -0.83 -1.32 0.00 0.00 176.35 174.65 2kh2 s GLY 135 N 0.28 1.32 -0.09 7.98 0.00 0.02 -4.84 107.32 111.99 2kh2 s GLY 135 Ca 0.03 -1.63 0.13 0.00 0.00 0.00 0.00 44.72 43.24 2kh2 s GLY 135 CO 0.00 -1.38 1.09 0.61 0.00 0.00 0.00 173.10 173.43 2kh2 n GLY 136 N -0.23 4.13 2.55 0.20 0.00 -1.26 -0.10 105.19 110.49 2kh2 n GLY 136 Ca 0.00 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 2kh2 n GLY 136 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kh2 n THR 137 N -1.11 4.90 -1.78 2.61 -1.04 -1.26 -4.96 114.28 111.64 2kh2 n THR 137 Ca 0.11 -4.38 -0.43 0.00 -2.04 0.00 0.00 64.05 57.31 2kh2 n THR 137 Cb 0.52 -1.80 -0.03 0.00 -1.82 0.00 0.00 70.33 67.20 2kh2 n THR 137 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2kh2 s LYS 138 N -2.14 3.58 0.00 -2.82 2.20 -1.26 -1.20 119.74 118.10 2kh2 s LYS 138 Ca 0.52 2.05 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 2kh2 s LYS 138 Cb 0.25 -4.22 0.00 0.00 -1.51 0.00 0.00 37.83 32.35 2kh2 s LYS 138 CO -0.15 -1.58 0.00 0.41 -0.36 0.00 0.00 175.35 173.67 2kh2 n GLY 139 N 5.13 0.78 0.00 5.54 0.00 -1.26 -5.07 105.19 110.31 2kh2 n GLY 139 Ca 0.24 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2kh2 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kh2 n GLY 140 N -2.39 1.70 0.19 -0.02 0.00 -0.34 -4.99 105.19 99.35 2kh2 n GLY 140 Ca 0.00 -1.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 2kh2 n GLY 140 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kh2 h GLN 141 N 0.00 0.48 -6.79 1.61 7.50 -1.98 -3.44 115.11 112.50 2kh2 h GLN 141 Ca 0.00 -0.35 -0.48 0.00 0.50 0.00 0.00 58.65 58.31 2kh2 h GLN 141 Cb 0.00 0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.57 2kh2 h GLN 141 CO 0.00 0.97 0.29 -0.51 -1.50 0.00 0.00 178.83 178.09 2kh2 s ASP 142 N -6.96 7.33 -0.02 1.46 1.01 -1.26 -4.53 116.67 113.71 2kh2 s ASP 142 Ca -0.07 1.77 -0.27 0.00 0.71 0.00 0.00 52.55 54.69 2kh2 s ASP 142 Cb 0.11 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 2kh2 s ASP 142 CO 0.84 -0.00 0.84 -0.63 0.21 0.00 0.00 175.17 176.43 2kh2 s ILE 143 N -1.51 4.92 -0.03 0.77 1.01 0.11 -4.56 121.20 121.91 2kh2 s ILE 143 Ca 0.47 1.75 0.10 0.00 0.00 0.00 0.00 60.65 62.97 2kh2 s ILE 143 Cb -0.19 -4.18 -0.15 0.00 0.01 0.00 0.00 42.46 37.94 2kh2 s ILE 143 CO 0.24 0.23 0.22 0.35 0.00 0.00 0.00 174.94 175.99 2kh2 n THR 144 N 3.68 0.00 -3.38 2.92 -2.24 -1.26 -1.48 114.28 112.52 2kh2 n THR 144 Ca 0.02 -0.23 -0.35 0.00 -2.27 0.00 0.00 64.05 61.22 2kh2 n THR 144 Cb 0.51 0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.98 2kh2 n THR 144 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2kh2 s ASP 145 N -3.11 6.79 0.27 3.42 -4.77 -1.26 -4.20 116.67 113.80 2kh2 s ASP 145 Ca -0.03 1.04 0.02 0.00 -3.30 0.00 0.00 52.55 50.27 2kh2 s ASP 145 Cb 0.06 -2.27 -0.04 0.00 -1.09 0.00 0.00 42.92 39.58 2kh2 s ASP 145 CO 0.41 0.09 0.14 -0.36 0.70 0.00 0.00 175.17 176.15 2kh2 s PHE 146 N -1.50 1.49 0.27 2.11 0.08 0.13 -4.01 117.98 116.56 2kh2 s PHE 146 Ca 0.38 -1.33 0.10 0.00 0.12 0.00 0.00 56.93 56.20 2kh2 s PHE 146 Cb -0.14 -0.80 -0.04 0.00 -0.57 0.00 0.00 43.02 41.46 2kh2 s PHE 146 CO 0.19 -0.51 -0.01 0.95 -0.10 0.00 0.00 175.22 175.74 2kh2 s THR 147 N -3.77 3.35 -0.22 0.64 -4.23 0.13 -0.70 115.64 110.84 2kh2 s THR 147 Ca 0.37 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 58.96 2kh2 s THR 147 Cb 0.06 -2.81 0.05 0.00 1.34 0.00 0.00 72.50 71.14 2kh2 s THR 147 CO 0.16 -0.36 -0.09 -0.32 -0.54 0.00 0.00 174.62 173.46 2kh2 s MET 148 N -3.67 1.95 -0.31 3.99 1.75 -1.26 -3.39 119.30 118.36 2kh2 s MET 148 Ca 0.32 -1.01 -0.02 0.00 -1.25 0.00 0.00 55.69 53.73 2kh2 s MET 148 Cb -0.06 -2.59 0.06 0.00 2.84 0.00 0.00 34.83 35.08 2kh2 s MET 148 CO 0.20 -0.51 0.01 -0.65 -0.65 0.00 0.00 175.02 173.41 2kh2 s GLN 149 N 1.33 2.37 0.13 4.11 1.11 -0.84 -4.96 119.66 122.91 2kh2 s GLN 149 Ca -0.04 -1.32 -0.30 0.00 0.01 0.00 0.00 55.36 53.70 2kh2 s GLN 149 Cb -0.18 -3.20 -0.07 0.00 -1.01 0.00 0.00 33.01 28.55 2kh2 s GLN 149 CO -0.07 -0.66 1.14 -0.06 0.01 0.00 0.00 175.29 175.65 2kh2 s PHE 150 N 1.23 3.52 0.21 0.91 0.08 -1.26 -0.99 117.98 121.68 2kh2 s PHE 150 Ca -0.04 1.48 0.00 0.00 0.12 0.00 0.00 56.93 58.50 2kh2 s PHE 150 Cb -0.20 -3.34 -0.00 0.00 -0.57 0.00 0.00 43.02 38.91 2kh2 s PHE 150 CO -0.02 -0.87 0.01 1.33 -0.10 0.00 0.00 175.22 175.57 2kh2 n VAL 151 N 2.98 0.00 -4.05 -0.44 0.24 -1.24 -4.98 118.33 110.84 2kh2 n VAL 151 Ca 0.05 -1.01 -0.34 0.00 -2.04 0.00 0.00 64.34 61.00 2kh2 n VAL 151 Cb 0.46 0.24 -0.07 0.00 -1.47 0.00 0.00 33.84 33.00 2kh2 n VAL 151 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2kh2 s SER 152 N -2.16 5.88 0.00 -1.34 0.01 -1.26 -4.90 113.70 109.93 2kh2 s SER 152 Ca 0.02 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.51 2kh2 s SER 152 Cb 0.00 -1.75 0.00 0.00 0.21 0.00 0.00 66.02 64.48 2kh2 s SER 152 CO 0.01 0.30 0.00 -1.20 0.41 0.00 0.00 173.24 172.76