#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 0.74 -4.91 0.00 0.11 -2.03 -3.38 132.00 122.53 2kh2 h PRO 2 Ca 0.00 -0.15 -0.67 0.00 0.11 0.00 0.00 66.00 65.29 2kh2 h PRO 2 Cb 0.00 -0.11 -0.35 0.00 0.11 0.00 0.00 31.00 30.65 2kh2 h PRO 2 CO 0.00 0.69 -0.79 0.54 -0.21 0.00 0.00 178.00 178.23 2kh2 s VAL 3 N -5.16 2.41 0.28 3.15 0.11 -1.26 -4.94 120.40 114.99 2kh2 s VAL 3 Ca -0.09 -1.32 -0.29 0.00 -2.93 0.00 0.00 61.98 57.36 2kh2 s VAL 3 Cb 0.16 -2.29 -0.09 0.00 -1.53 0.00 0.00 36.38 32.62 2kh2 s VAL 3 CO 0.79 0.13 0.98 -0.13 -3.33 0.00 0.00 175.10 173.54 2kh2 s ARG 4 N 1.21 4.70 -0.06 1.54 0.52 -1.26 -4.92 118.95 120.68 2kh2 s ARG 4 Ca -0.03 1.51 -0.11 0.00 -0.52 0.00 0.00 55.73 56.57 2kh2 s ARG 4 Cb -0.18 -3.09 0.02 0.00 0.52 0.00 0.00 34.95 32.22 2kh2 s ARG 4 CO -0.06 0.36 0.28 -1.12 0.02 0.00 0.00 175.30 174.77 2kh2 s SER 5 N -1.26 -0.22 0.23 0.23 0.01 -1.26 -1.23 113.70 110.20 2kh2 s SER 5 Ca 0.45 0.31 0.01 0.00 1.31 0.00 0.00 55.95 58.04 2kh2 s SER 5 Cb -0.25 0.45 -0.05 0.00 0.21 0.00 0.00 66.02 66.38 2kh2 s SER 5 CO 0.31 -0.25 0.08 -0.76 0.41 0.00 0.00 173.24 173.03 2kh2 s LEU 6 N -0.54 1.72 -0.13 2.44 1.43 -1.09 -4.95 118.68 117.57 2kh2 s LEU 6 Ca -0.06 -1.33 0.01 0.00 -1.03 0.00 0.00 54.13 51.71 2kh2 s LEU 6 Cb -0.04 0.02 -0.01 0.00 0.03 0.00 0.00 46.19 46.20 2kh2 s LEU 6 CO 0.02 -0.70 -0.16 0.20 0.23 0.00 0.00 176.35 175.95 2kh2 s ASN 7 N -3.27 3.76 0.04 2.29 0.01 -1.26 0.10 114.94 116.62 2kh2 s ASN 7 Ca 0.35 -0.40 -0.12 0.00 -0.71 0.00 0.00 52.86 51.98 2kh2 s ASN 7 Cb 0.07 -1.56 0.01 0.00 0.41 0.00 0.00 41.25 40.18 2kh2 s ASN 7 CO 0.11 0.15 0.25 0.00 -1.51 0.00 0.00 177.10 176.10 2kh2 s THR 9 N -2.56 4.76 -0.06 0.00 -4.23 0.66 0.06 115.64 114.27 2kh2 s THR 9 Ca -0.05 -0.80 0.06 0.00 -1.18 0.00 0.00 61.69 59.72 2kh2 s THR 9 Cb -0.01 -3.36 -0.01 0.00 1.34 0.00 0.00 72.50 70.46 2kh2 s THR 9 CO -0.04 0.03 -0.25 -0.76 -0.54 0.00 0.00 174.62 173.06 2kh2 s LEU 10 N -2.74 2.07 0.01 4.79 1.43 -1.26 -2.03 118.68 120.94 2kh2 s LEU 10 Ca 0.31 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 2kh2 s LEU 10 Cb -0.11 -1.37 -0.01 0.00 0.03 0.00 0.00 46.19 44.72 2kh2 s LEU 10 CO 0.24 0.23 -0.08 -0.13 0.23 0.00 0.00 176.35 176.84 2kh2 s ARG 11 N -0.07 0.63 0.73 1.70 0.52 -1.26 -3.47 118.95 117.72 2kh2 s ARG 11 Ca -0.06 -0.38 -0.12 0.00 -0.52 0.00 0.00 55.73 54.64 2kh2 s ARG 11 Cb -0.14 -0.58 0.17 0.00 0.52 0.00 0.00 34.95 34.91 2kh2 s ARG 11 CO 0.05 0.15 0.99 -0.40 0.02 0.00 0.00 175.30 176.11 2kh2 n ASP 12 N 2.60 0.06 0.06 0.23 5.68 -0.62 -0.43 116.55 124.13 2kh2 n ASP 12 Ca -0.15 -1.35 0.10 0.00 -0.50 0.00 0.00 54.79 52.89 2kh2 n ASP 12 Cb 0.57 -0.76 0.43 0.00 -1.14 0.00 0.00 41.12 40.22 2kh2 n ASP 12 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2kh2 n SER 13 N -3.64 0.35 -1.05 -1.12 3.41 -1.24 -2.17 113.62 108.16 2kh2 n SER 13 Ca 0.12 0.57 0.09 0.00 -0.26 0.00 0.00 58.87 59.39 2kh2 n SER 13 Cb 0.43 -0.65 0.25 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.87 2.35 -2.13 4.33 1.13 -1.26 -4.91 117.38 115.02 2kh2 n GLN 14 Ca 0.04 -2.02 -0.14 0.00 -1.94 0.00 0.00 57.00 52.94 2kh2 n GLN 14 Cb 0.25 -1.45 -0.01 0.00 0.11 0.00 0.00 30.24 29.13 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 1.11 -1.09 -3.58 -1.09 1.13 -0.92 -4.95 117.38 107.99 2kh2 n GLN 15 Ca 0.19 0.73 -0.34 0.00 -1.94 0.00 0.00 57.00 55.63 2kh2 n GLN 15 Cb 0.49 -4.97 -0.05 0.00 0.11 0.00 0.00 30.24 25.81 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 -4.46 3.74 0.16 -1.09 1.02 -1.26 -4.17 119.74 113.68 2kh2 s LYS 16 Ca 0.00 0.13 0.07 0.00 0.02 0.00 0.00 55.97 56.20 2kh2 s LYS 16 Cb 0.00 -2.94 -0.04 0.00 -0.52 0.00 0.00 37.83 34.33 2kh2 s LYS 16 CO 0.00 0.52 -0.01 -1.12 -0.92 0.00 0.00 175.35 173.82 2kh2 s SER 17 N -1.95 4.74 -0.20 2.83 0.01 0.12 -1.59 113.70 117.66 2kh2 s SER 17 Ca 0.36 -0.39 -0.22 0.00 1.31 0.00 0.00 55.95 57.01 2kh2 s SER 17 Cb -0.13 -1.00 -0.02 0.00 0.21 0.00 0.00 66.02 65.08 2kh2 s SER 17 CO 0.20 0.10 0.69 -0.76 0.41 0.00 0.00 173.24 173.88 2kh2 s LEU 18 N -2.84 4.14 0.14 2.44 1.43 -1.23 -1.39 118.68 121.37 2kh2 s LEU 18 Ca 0.27 0.93 0.10 0.00 -1.03 0.00 0.00 54.13 54.39 2kh2 s LEU 18 Cb -0.10 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 2kh2 s LEU 18 CO 0.18 -0.32 -0.23 0.68 0.23 0.00 0.00 176.35 176.88 2kh2 s VAL 19 N 2.05 2.05 -0.37 -1.59 -7.23 0.12 -1.54 120.40 113.90 2kh2 s VAL 19 Ca 0.31 -1.76 -0.27 0.00 -1.81 0.00 0.00 61.98 58.45 2kh2 s VAL 19 Cb -0.16 -1.86 0.02 0.00 0.56 0.00 0.00 36.38 34.94 2kh2 s VAL 19 CO 0.11 -0.04 0.99 -0.04 -0.31 0.00 0.00 175.10 175.81 2kh2 s MET 20 N -2.21 3.89 0.00 4.82 -1.94 -1.26 -0.30 119.30 122.29 2kh2 s MET 20 Ca 0.13 0.71 0.00 0.00 -1.71 0.00 0.00 55.69 54.82 2kh2 s MET 20 Cb -0.09 -3.80 0.00 0.00 2.01 0.00 0.00 34.83 32.95 2kh2 s MET 20 CO 0.06 -0.99 0.00 0.45 -0.01 0.00 0.00 175.02 174.53 2kh2 n SER 21 N 6.94 0.00 -4.70 3.03 2.88 -0.24 -4.93 113.62 116.59 2kh2 n SER 21 Ca 0.09 0.03 -0.23 0.00 -1.33 0.00 0.00 58.87 57.44 2kh2 n SER 21 Cb 0.48 -0.04 0.02 0.00 -0.75 0.00 0.00 64.21 63.92 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 2.46 2.51 0.32 0.46 0.00 -1.17 -4.94 105.19 104.83 2kh2 n GLY 22 Ca 0.00 -2.27 0.16 0.00 0.00 0.00 0.00 46.02 43.91 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 0.00 -0.18 1.61 0.13 -2.03 -2.44 132.00 129.09 2kh2 h PRO 23 Ca -0.31 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.64 2kh2 h PRO 23 Cb 1.19 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.06 2kh2 h PRO 23 CO 0.47 0.00 -0.84 0.66 -0.23 0.00 0.00 178.00 178.06 2kh2 n TYR 24 N -3.92 0.60 -3.93 1.56 4.01 -1.26 -4.97 117.16 109.25 2kh2 n TYR 24 Ca -0.00 -1.35 -0.13 0.00 -0.16 0.00 0.00 57.90 56.26 2kh2 n TYR 24 Cb 0.23 -0.22 -0.14 0.00 -0.31 0.00 0.00 39.34 38.90 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 -2.22 0.10 -0.01 -0.72 2.12 -0.92 -4.27 118.70 112.78 2kh2 s GLU 25 Ca 0.37 -0.04 0.08 0.00 0.36 0.00 0.00 54.97 55.74 2kh2 s GLU 25 Cb 0.38 -0.10 -0.02 0.00 0.26 0.00 0.00 34.13 34.65 2kh2 s GLU 25 CO -0.08 0.02 -0.25 -0.51 -0.54 0.00 0.00 175.26 173.89 2kh2 s LEU 26 N 0.00 2.07 0.14 2.70 1.43 -1.26 -1.08 118.68 122.68 2kh2 s LEU 26 Ca 0.00 -0.48 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 2kh2 s LEU 26 Cb -0.01 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 2kh2 s LEU 26 CO -0.00 0.30 -0.18 -0.54 0.23 0.00 0.00 176.35 176.16 2kh2 s LYS 27 N -0.69 1.19 -0.19 1.70 1.02 0.59 -1.45 119.74 121.90 2kh2 s LYS 27 Ca 0.10 -1.32 0.01 0.00 0.02 0.00 0.00 55.97 54.78 2kh2 s LYS 27 Cb -0.10 -1.24 0.03 0.00 -0.52 0.00 0.00 37.83 36.00 2kh2 s LYS 27 CO -0.01 0.26 -0.17 0.00 -0.92 0.00 0.00 175.35 174.51 2kh2 s ALA 28 N -1.90 2.27 0.07 5.17 0.00 0.13 0.15 121.76 127.65 2kh2 s ALA 28 Ca 0.12 -1.26 -0.12 0.00 0.00 0.00 0.00 51.96 50.71 2kh2 s ALA 28 Cb -0.06 -1.23 0.01 0.00 0.00 0.00 0.00 23.12 21.84 2kh2 s ALA 28 CO 0.05 -0.52 0.26 -0.48 0.00 0.00 0.00 175.76 175.07 2kh2 s LEU 29 N 1.30 1.07 -0.00 0.00 0.05 -0.49 -2.93 118.68 117.68 2kh2 s LEU 29 Ca 0.02 -0.37 -0.31 0.00 0.05 0.00 0.00 54.13 53.52 2kh2 s LEU 29 Cb -0.14 1.25 -0.10 0.00 -2.05 0.00 0.00 46.19 45.15 2kh2 s LEU 29 CO -0.11 -0.67 1.96 1.41 -0.55 0.00 0.00 176.35 178.39 2kh2 n HIS 30 N 0.31 2.46 -3.85 3.48 8.25 -1.26 0.11 115.22 124.72 2kh2 n HIS 30 Ca -0.17 -0.28 -0.26 0.00 -0.26 0.00 0.00 57.72 56.75 2kh2 n HIS 30 Cb 0.61 -2.77 -0.17 0.00 1.12 0.00 0.00 29.99 28.78 2kh2 n HIS 30 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2kh2 s LEU 31 N 4.43 1.17 -0.28 2.41 2.96 -1.26 -4.86 118.68 123.25 2kh2 s LEU 31 Ca 0.90 -0.42 -0.16 0.00 -0.22 0.00 0.00 54.13 54.24 2kh2 s LEU 31 Cb -0.51 -0.74 0.09 0.00 0.50 0.00 0.00 46.19 45.53 2kh2 s LEU 31 CO 0.45 -0.18 0.73 -1.58 -1.32 0.00 0.00 176.35 174.45 2kh2 s GLN 32 N 1.76 0.65 0.00 1.98 0.74 -1.26 -4.80 119.66 118.74 2kh2 s GLN 32 Ca 0.03 1.16 0.00 0.00 0.05 0.00 0.00 55.36 56.60 2kh2 s GLN 32 Cb -0.14 0.17 0.00 0.00 1.10 0.00 0.00 33.01 34.15 2kh2 s GLN 32 CO -0.07 -0.14 0.00 0.41 -0.55 0.00 0.00 175.29 174.93 2kh2 n GLY 33 N 4.30 0.26 0.00 2.59 0.00 -1.26 -4.64 105.19 106.44 2kh2 n GLY 33 Ca -0.19 -1.92 0.13 0.00 0.00 0.00 0.00 46.02 44.03 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 0.60 -0.20 1.61 -0.06 -1.26 -2.14 117.38 115.93 2kh2 n GLN 34 Ca 0.00 0.02 0.11 0.00 -2.00 0.00 0.00 57.00 55.13 2kh2 n GLN 34 Cb 0.00 -1.50 0.26 0.00 -4.06 0.00 0.00 30.24 24.94 2kh2 n GLN 34 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2kh2 n ASP 35 N -1.15 3.01 0.13 1.69 9.92 -1.26 -4.36 116.55 124.52 2kh2 n ASP 35 Ca 0.16 -1.94 0.16 0.00 -0.53 0.00 0.00 54.79 52.65 2kh2 n ASP 35 Cb 0.15 -0.26 0.72 0.00 -0.64 0.00 0.00 41.12 41.09 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 2kh2 h MET 36 N 3.72 0.00 0.00 -1.24 4.05 -1.74 -0.99 114.93 118.72 2kh2 h MET 36 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2kh2 h MET 36 Cb 0.83 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.63 2kh2 h MET 36 CO 0.00 0.00 0.00 0.39 0.23 0.00 0.00 176.91 177.53 2kh2 n GLU 37 N -4.23 0.02 0.03 0.39 -0.58 -1.26 -1.73 120.64 113.28 2kh2 n GLU 37 Ca 0.04 0.35 0.13 0.00 -0.42 0.00 0.00 57.16 57.27 2kh2 n GLU 37 Cb 0.40 -1.50 0.54 0.00 -0.57 0.00 0.00 31.44 30.31 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 -1.46 0.06 -2.23 3.49 6.02 -0.38 -4.85 117.38 118.03 2kh2 n GLN 38 Ca 0.02 0.09 -0.38 0.00 -0.01 0.00 0.00 57.00 56.71 2kh2 n GLN 38 Cb 0.08 -1.58 -0.01 0.00 1.02 0.00 0.00 30.24 29.74 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 -3.03 3.98 -0.05 -1.09 -2.07 -0.70 -4.43 119.66 112.26 2kh2 s GLN 39 Ca 0.12 1.90 -0.14 0.00 -1.82 0.00 0.00 55.36 55.43 2kh2 s GLN 39 Cb 0.16 -2.65 -0.05 0.00 -1.09 0.00 0.00 33.01 29.38 2kh2 s GLN 39 CO 0.51 -0.41 0.37 0.08 -1.32 0.00 0.00 175.29 174.52 2kh2 s VAL 40 N -1.39 5.15 -0.24 3.63 1.01 -0.59 -5.01 120.40 122.95 2kh2 s VAL 40 Ca 0.58 0.73 -0.10 0.00 0.00 0.00 0.00 61.98 63.20 2kh2 s VAL 40 Cb -0.32 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2kh2 s VAL 40 CO 0.40 0.52 0.14 -0.69 0.00 0.00 0.00 175.10 175.47 2kh2 s VAL 41 N -0.63 5.06 -0.20 2.92 1.01 -1.26 -4.42 120.40 122.88 2kh2 s VAL 41 Ca 0.22 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.17 2kh2 s VAL 41 Cb -0.15 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 2kh2 s VAL 41 CO 0.10 0.33 0.16 -0.36 0.00 0.00 0.00 175.10 175.34 2kh2 s PHE 42 N 1.26 3.41 -0.20 5.22 0.40 0.11 -1.02 117.98 127.16 2kh2 s PHE 42 Ca 0.06 0.37 -0.25 0.00 -0.60 0.00 0.00 56.93 56.52 2kh2 s PHE 42 Cb -0.14 -2.20 -0.01 0.00 0.51 0.00 0.00 43.02 41.18 2kh2 s PHE 42 CO 0.06 0.26 0.81 -1.12 0.70 0.00 0.00 175.22 175.93 2kh2 s SER 43 N 0.43 6.88 -0.71 1.36 0.01 0.12 -1.17 113.70 120.61 2kh2 s SER 43 Ca 0.09 1.09 -0.19 0.00 1.31 0.00 0.00 55.95 58.25 2kh2 s SER 43 Cb -0.11 -2.44 0.12 0.00 0.21 0.00 0.00 66.02 63.80 2kh2 s SER 43 CO -0.01 -0.44 0.84 -0.32 0.41 0.00 0.00 173.24 173.72 2kh2 s MET 44 N 2.44 3.26 -0.99 12.44 1.75 0.12 -1.90 119.30 136.41 2kh2 s MET 44 Ca 0.36 -1.54 -0.21 0.00 -1.25 0.00 0.00 55.69 53.04 2kh2 s MET 44 Cb -0.16 -4.44 0.08 0.00 2.84 0.00 0.00 34.83 33.15 2kh2 s MET 44 CO 0.10 -1.59 1.34 -1.12 -0.65 0.00 0.00 175.02 173.10 2kh2 s SER 45 N 3.42 6.55 -0.56 1.11 0.01 -0.75 -2.65 113.70 120.83 2kh2 s SER 45 Ca 0.18 -1.68 -0.27 0.00 1.31 0.00 0.00 55.95 55.50 2kh2 s SER 45 Cb -0.17 -2.51 -0.10 0.00 0.21 0.00 0.00 66.02 63.45 2kh2 s SER 45 CO 0.01 -1.35 2.45 0.49 0.41 0.00 0.00 173.24 175.25 2kh2 n PHE 46 N 8.06 1.31 -2.06 2.43 3.01 -0.37 -1.32 117.46 128.53 2kh2 n PHE 46 Ca 0.30 0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.92 2kh2 n PHE 46 Cb 0.50 -2.60 0.00 0.00 -0.01 0.00 0.00 39.48 37.38 2kh2 n PHE 46 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 2kh2 n VAL 47 N 7.89 0.00 -4.81 -4.37 0.24 -1.16 -4.15 118.33 111.97 2kh2 n VAL 47 Ca 0.42 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.47 2kh2 n VAL 47 Cb 0.45 -1.33 -0.15 0.00 -1.47 0.00 0.00 33.84 31.34 2kh2 n VAL 47 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2kh2 s GLN 48 N -1.09 1.41 0.00 7.34 1.11 -1.25 -4.83 119.66 122.36 2kh2 s GLN 48 Ca 0.00 -0.68 0.00 0.00 0.01 0.00 0.00 55.36 54.69 2kh2 s GLN 48 Cb 0.00 -1.39 0.00 0.00 -1.01 0.00 0.00 33.01 30.61 2kh2 s GLN 48 CO 0.00 0.38 0.00 0.41 0.01 0.00 0.00 175.29 176.09 2kh2 n GLY 49 N 2.50 -0.73 3.47 3.09 0.00 -1.26 -4.97 105.19 107.29 2kh2 n GLY 49 Ca -0.15 0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 2kh2 n GLY 49 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kh2 n GLU 50 N 0.00 3.16 -3.96 1.61 4.07 -1.26 -4.96 120.64 119.30 2kh2 n GLU 50 Ca 0.00 -3.20 -0.28 0.00 -0.06 0.00 0.00 57.16 53.62 2kh2 n GLU 50 Cb 0.00 -3.47 -0.04 0.00 -0.06 0.00 0.00 31.44 27.87 2kh2 n GLU 50 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2kh2 s GLU 51 N 4.09 3.33 0.00 5.31 2.12 -1.26 -3.72 118.70 128.56 2kh2 s GLU 51 Ca 0.53 -0.59 0.00 0.00 0.36 0.00 0.00 54.97 55.27 2kh2 s GLU 51 Cb 0.05 -2.93 0.00 0.00 0.26 0.00 0.00 34.13 31.51 2kh2 s GLU 51 CO 0.06 0.55 0.00 -1.13 -0.54 0.00 0.00 175.26 174.20 2kh2 n SER 52 N -0.18 0.00 0.06 -1.70 3.41 -0.53 -4.99 113.62 109.69 2kh2 n SER 52 Ca -0.07 -0.07 0.11 0.00 -0.26 0.00 0.00 58.87 58.59 2kh2 n SER 52 Cb 0.53 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2kh2 n SER 52 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2kh2 n ASN 53 N -0.07 0.64 0.00 4.04 5.15 -1.26 -4.52 115.26 119.24 2kh2 n ASN 53 Ca 0.00 0.11 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 2kh2 n ASN 53 Cb 0.00 0.74 0.00 0.00 -0.53 0.00 0.00 39.78 39.99 2kh2 n ASN 53 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2kh2 n ASP 54 N -2.35 4.19 -4.57 1.20 5.68 -1.26 -4.99 116.55 114.44 2kh2 n ASP 54 Ca 0.00 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 53.90 2kh2 n ASP 54 Cb 0.51 0.12 -0.10 0.00 -1.14 0.00 0.00 41.12 40.51 2kh2 n ASP 54 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2kh2 s LYS 55 N -1.99 3.77 -0.18 0.11 2.20 -1.26 -2.10 119.74 120.30 2kh2 s LYS 55 Ca 0.00 -0.28 -0.02 0.00 -0.36 0.00 0.00 55.97 55.31 2kh2 s LYS 55 Cb 0.00 -3.73 -0.01 0.00 -1.51 0.00 0.00 37.83 32.58 2kh2 s LYS 55 CO 0.00 -0.37 -0.09 0.42 -0.36 0.00 0.00 175.35 174.95 2kh2 s ILE 56 N 1.95 3.10 -0.38 5.43 -1.09 0.77 -1.45 121.20 129.53 2kh2 s ILE 56 Ca 0.11 -0.61 -0.28 0.00 -2.23 0.00 0.00 60.65 57.65 2kh2 s ILE 56 Cb -0.16 -2.36 0.02 0.00 -1.58 0.00 0.00 42.46 38.37 2kh2 s ILE 56 CO 0.11 0.48 1.02 -2.16 -1.23 0.00 0.00 174.94 173.16 2kh2 s PRO 57 N 1.03 3.87 0.19 2.79 0.04 -1.24 -0.34 135.00 141.34 2kh2 s PRO 57 Ca -0.00 0.71 -0.03 0.00 0.04 0.00 0.00 61.00 61.72 2kh2 s PRO 57 Cb -0.15 -3.81 -0.03 0.00 0.04 0.00 0.00 34.50 30.55 2kh2 s PRO 57 CO -0.01 -1.05 0.17 0.14 0.04 0.00 0.00 177.00 176.29 2kh2 s VAL 58 N 3.78 0.03 0.22 -0.36 -7.23 -0.38 -2.98 120.40 113.47 2kh2 s VAL 58 Ca 0.43 -1.86 0.08 0.00 -1.81 0.00 0.00 61.98 58.82 2kh2 s VAL 58 Cb -0.11 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 2kh2 s VAL 58 CO 0.21 -0.12 0.06 0.00 -0.31 0.00 0.00 175.10 174.94 2kh2 s ALA 59 N -4.10 3.32 -0.22 1.32 0.00 -0.43 -0.08 121.76 121.56 2kh2 s ALA 59 Ca 0.32 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.84 2kh2 s ALA 59 Cb 0.06 -1.04 0.06 0.00 0.00 0.00 0.00 23.12 22.19 2kh2 s ALA 59 CO 0.09 0.37 -0.04 -0.51 0.00 0.00 0.00 175.76 175.67 2kh2 s LEU 60 N -3.37 2.24 0.41 0.00 1.43 -1.26 -1.82 118.68 116.32 2kh2 s LEU 60 Ca 0.30 -1.06 0.03 0.00 -1.03 0.00 0.00 54.13 52.37 2kh2 s LEU 60 Cb -0.08 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 2kh2 s LEU 60 CO 0.21 -0.24 0.07 -0.83 0.23 0.00 0.00 176.35 175.79 2kh2 s GLY 61 N 1.49 2.58 0.05 -3.19 0.00 -0.80 -1.10 107.32 106.34 2kh2 s GLY 61 Ca -0.04 -1.31 -0.20 0.00 0.00 0.00 0.00 44.72 43.16 2kh2 s GLY 61 CO -0.07 -1.94 0.60 1.08 0.00 0.00 0.00 173.10 172.77 2kh2 s LEU 62 N -3.65 4.48 -0.18 0.66 1.02 0.18 0.16 118.68 121.36 2kh2 s LEU 62 Ca 0.23 1.25 -0.38 0.00 0.02 0.00 0.00 54.13 55.25 2kh2 s LEU 62 Cb 0.04 -2.94 -0.15 0.00 0.02 0.00 0.00 46.19 43.17 2kh2 s LEU 62 CO 0.12 0.19 1.74 1.17 0.02 0.00 0.00 176.35 179.59 2kh2 n LYS 63 N 2.16 1.46 -3.79 1.70 4.81 -0.19 -1.68 118.16 122.63 2kh2 n LYS 63 Ca -0.08 0.54 -0.29 0.00 -0.87 0.00 0.00 58.31 57.60 2kh2 n LYS 63 Cb 0.51 -2.26 -0.01 0.00 0.02 0.00 0.00 35.03 33.29 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 5.37 -3.76 -4.14 1.64 0.28 -1.26 -4.96 120.64 113.80 2kh2 n GLU 64 Ca 0.24 0.46 -0.10 0.00 -0.16 0.00 0.00 57.16 57.60 2kh2 n GLU 64 Cb 0.18 -5.22 -0.10 0.00 1.43 0.00 0.00 31.44 27.73 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2kh2 s LYS 65 N -6.47 0.75 -0.38 3.44 1.02 -0.68 -5.04 119.74 112.38 2kh2 s LYS 65 Ca 0.58 -1.22 0.01 0.00 0.02 0.00 0.00 55.97 55.37 2kh2 s LYS 65 Cb -0.31 -0.16 0.41 0.00 -0.52 0.00 0.00 37.83 37.25 2kh2 s LYS 65 CO 0.72 -0.02 1.79 0.27 -0.92 0.00 0.00 175.35 177.19 2kh2 n ASN 66 N 0.25 4.88 -4.35 2.83 6.94 -1.26 -4.53 115.26 120.01 2kh2 n ASN 66 Ca -0.14 -3.23 -0.34 0.00 -0.02 0.00 0.00 54.58 50.85 2kh2 n ASN 66 Cb 0.60 -0.85 -0.14 0.00 -2.36 0.00 0.00 39.78 37.03 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 -2.46 2.85 0.09 -4.53 1.43 -1.26 -0.89 118.68 113.91 2kh2 s LEU 67 Ca 0.42 -0.34 0.07 0.00 -1.03 0.00 0.00 54.13 53.25 2kh2 s LEU 67 Cb 0.35 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 2kh2 s LEU 67 CO 0.04 0.08 -0.17 -0.31 0.23 0.00 0.00 176.35 176.22 2kh2 s TYR 68 N 0.89 1.51 -0.11 0.29 1.51 -0.34 -0.64 117.35 120.46 2kh2 s TYR 68 Ca -0.02 -0.45 -0.30 0.00 -1.01 0.00 0.00 57.07 55.30 2kh2 s TYR 68 Cb -0.15 -0.83 -0.03 0.00 -0.11 0.00 0.00 41.96 40.84 2kh2 s TYR 68 CO 0.01 0.14 1.37 -0.51 -1.11 0.00 0.00 175.55 175.45 2kh2 s LEU 69 N -1.91 4.24 -0.10 -1.29 1.43 -0.26 -0.17 118.68 120.62 2kh2 s LEU 69 Ca 0.03 1.89 0.01 0.00 -1.03 0.00 0.00 54.13 55.03 2kh2 s LEU 69 Cb -0.09 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 2kh2 s LEU 69 CO 0.03 -0.78 -0.13 -0.55 0.23 0.00 0.00 176.35 175.16 2kh2 s SER 70 N 2.26 4.10 -0.41 2.29 0.15 0.13 -4.50 113.70 117.71 2kh2 s SER 70 Ca 0.61 -0.25 -0.11 0.00 0.70 0.00 0.00 55.95 56.89 2kh2 s SER 70 Cb -0.26 -1.33 0.06 0.00 -1.71 0.00 0.00 66.02 62.77 2kh2 s SER 70 CO 0.20 0.24 0.27 0.00 1.20 0.00 0.00 173.24 175.15 2kh2 s VAL 72 N 1.53 0.70 -0.35 0.00 -7.23 -0.94 -4.65 120.40 109.45 2kh2 s VAL 72 Ca 0.03 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.05 2kh2 s VAL 72 Cb -0.22 -2.47 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 2kh2 s VAL 72 CO 0.05 -0.18 0.31 -0.76 -0.31 0.00 0.00 175.10 174.22 2kh2 s LEU 73 N -3.28 4.57 -0.25 1.32 1.43 -1.26 0.23 118.68 121.43 2kh2 s LEU 73 Ca 0.33 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 2kh2 s LEU 73 Cb 0.07 -2.25 0.04 0.00 0.03 0.00 0.00 46.19 44.09 2kh2 s LEU 73 CO 0.10 -0.33 -0.08 -0.54 0.23 0.00 0.00 176.35 175.74 2kh2 s LYS 74 N 1.88 2.58 -0.97 1.70 1.02 0.25 -4.72 119.74 121.49 2kh2 s LYS 74 Ca 0.09 -1.14 -0.05 0.00 0.02 0.00 0.00 55.97 54.89 2kh2 s LYS 74 Cb -0.17 -2.95 -0.05 0.00 -0.52 0.00 0.00 37.83 34.14 2kh2 s LYS 74 CO 0.11 -0.48 0.86 -3.47 -0.92 0.00 0.00 175.35 171.45 2kh2 n ASP 75 N 4.58 -6.80 -2.44 2.83 4.64 -1.26 -3.02 116.55 115.08 2kh2 n ASP 75 Ca -0.16 -0.57 -0.11 0.00 -1.38 0.00 0.00 54.79 52.57 2kh2 n ASP 75 Cb 0.45 -5.15 -0.01 0.00 -1.04 0.00 0.00 41.12 35.38 2kh2 n ASP 75 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2kh2 n ASP 76 N -2.90 -3.71 -3.71 1.67 10.43 -1.26 -4.94 116.55 112.13 2kh2 n ASP 76 Ca -0.05 0.22 -0.11 0.00 2.57 0.00 0.00 54.79 57.41 2kh2 n ASP 76 Cb 0.59 -3.16 -0.11 0.00 1.84 0.00 0.00 41.12 40.28 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 2kh2 s LYS 77 N -5.01 0.36 -0.05 -1.24 2.47 -1.17 -5.12 119.74 109.98 2kh2 s LYS 77 Ca 0.00 0.67 -0.30 0.00 -1.56 0.00 0.00 55.97 54.79 2kh2 s LYS 77 Cb 0.00 0.00 -0.07 0.00 -1.46 0.00 0.00 37.83 36.30 2kh2 s LYS 77 CO 0.00 -0.14 1.88 -2.14 0.16 0.00 0.00 175.35 175.11 2kh2 s PRO 78 N 1.12 3.96 -0.02 4.03 0.02 -1.26 -0.58 135.00 142.27 2kh2 s PRO 78 Ca -0.08 2.31 0.04 0.00 0.02 0.00 0.00 61.00 63.29 2kh2 s PRO 78 Cb -0.08 -4.13 -0.01 0.00 0.02 0.00 0.00 34.50 30.30 2kh2 s PRO 78 CO -0.09 -1.14 -0.14 0.99 -0.33 0.00 0.00 177.00 176.29 2kh2 s THR 79 N 5.00 1.17 0.22 0.99 2.01 0.14 -4.64 115.64 120.52 2kh2 s THR 79 Ca 0.84 -0.60 -0.21 0.00 0.31 0.00 0.00 61.69 62.03 2kh2 s THR 79 Cb -0.37 -0.99 -0.08 0.00 0.01 0.00 0.00 72.50 71.07 2kh2 s THR 79 CO 0.36 0.34 0.74 -0.22 -0.69 0.00 0.00 174.62 175.15 2kh2 s LEU 80 N -0.15 4.37 0.30 4.42 2.96 -1.26 -2.20 118.68 127.12 2kh2 s LEU 80 Ca 0.02 1.46 -0.15 0.00 -0.22 0.00 0.00 54.13 55.24 2kh2 s LEU 80 Cb -0.08 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.07 2kh2 s LEU 80 CO 0.00 0.05 0.62 0.00 -1.32 0.00 0.00 176.35 175.71 2kh2 s GLN 81 N -1.87 1.82 -0.21 1.98 -2.07 -0.29 -4.85 119.66 114.18 2kh2 s GLN 81 Ca 0.42 -1.27 -0.09 0.00 -1.82 0.00 0.00 55.36 52.61 2kh2 s GLN 81 Cb -0.18 0.55 -0.04 0.00 -1.09 0.00 0.00 33.01 32.25 2kh2 s GLN 81 CO 0.22 -0.81 0.10 -0.51 -1.32 0.00 0.00 175.29 172.97 2kh2 s LEU 82 N -3.02 3.93 -0.09 2.60 2.01 -1.26 0.18 118.68 123.02 2kh2 s LEU 82 Ca 0.18 0.09 0.04 0.00 0.01 0.00 0.00 54.13 54.45 2kh2 s LEU 82 Cb -0.03 -2.02 -0.01 0.00 0.01 0.00 0.00 46.19 44.14 2kh2 s LEU 82 CO 0.10 0.13 -0.22 -0.70 1.01 0.00 0.00 176.35 176.67 2kh2 s GLU 83 N 0.66 2.99 -0.15 1.70 2.12 0.76 -4.89 118.70 121.89 2kh2 s GLU 83 Ca 0.05 -0.84 -0.28 0.00 0.36 0.00 0.00 54.97 54.27 2kh2 s GLU 83 Cb -0.13 -2.34 -0.01 0.00 0.26 0.00 0.00 34.13 31.92 2kh2 s GLU 83 CO 0.01 0.25 0.94 -1.12 -0.54 0.00 0.00 175.26 174.80 2kh2 s SER 84 N 0.19 7.10 0.30 -1.70 0.01 -1.26 -1.20 113.70 117.14 2kh2 s SER 84 Ca -0.13 1.36 0.10 0.00 1.31 0.00 0.00 55.95 58.59 2kh2 s SER 84 Cb -0.16 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.50 2kh2 s SER 84 CO 0.07 -0.47 -0.09 0.68 0.41 0.00 0.00 173.24 173.84 2kh2 s VAL 85 N 2.27 2.71 -0.23 3.43 -7.23 -0.06 -5.01 120.40 116.28 2kh2 s VAL 85 Ca 0.43 -2.17 -0.34 0.00 -1.81 0.00 0.00 61.98 58.09 2kh2 s VAL 85 Cb -0.17 -2.58 -0.11 0.00 0.56 0.00 0.00 36.38 34.08 2kh2 s VAL 85 CO 0.14 -0.33 2.05 -0.67 -0.31 0.00 0.00 175.10 175.98 2kh2 n ASP 86 N -0.78 2.80 0.11 4.85 4.64 -1.26 -4.82 116.55 122.08 2kh2 n ASP 86 Ca -0.05 0.63 0.10 0.00 -1.38 0.00 0.00 54.79 54.09 2kh2 n ASP 86 Cb 0.61 -1.34 0.45 0.00 -1.04 0.00 0.00 41.12 39.80 2kh2 n ASP 86 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2kh2 n PRO 87 N 7.51 0.14 -0.00 -0.67 -0.04 -1.26 -1.73 135.00 138.94 2kh2 n PRO 87 Ca 0.32 0.44 0.08 0.00 -0.04 0.00 0.00 63.50 64.30 2kh2 n PRO 87 Cb 0.28 -1.80 -0.11 0.00 -0.04 0.00 0.00 33.50 31.83 2kh2 n PRO 87 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2kh2 n LYS 88 N -2.06 1.14 -0.05 0.54 2.85 -1.26 -4.38 118.16 114.93 2kh2 n LYS 88 Ca 0.01 -0.04 0.03 0.00 -1.05 0.00 0.00 58.31 57.27 2kh2 n LYS 88 Cb 0.16 -1.34 0.06 0.00 -0.65 0.00 0.00 35.03 33.27 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 -1.56 2.07 -4.14 -5.58 3.02 -0.92 -5.00 115.26 103.15 2kh2 n ASN 89 Ca 0.02 -1.65 -0.21 0.00 -0.03 0.00 0.00 54.58 52.71 2kh2 n ASN 89 Cb 0.31 -0.07 -0.14 0.00 -0.61 0.00 0.00 39.78 39.27 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 -0.79 1.27 0.32 3.10 1.51 -0.71 -4.41 117.35 117.65 2kh2 s TYR 90 Ca 0.11 -0.33 -0.05 0.00 -1.01 0.00 0.00 57.07 55.80 2kh2 s TYR 90 Cb 0.06 -0.77 0.07 0.00 -0.11 0.00 0.00 41.96 41.22 2kh2 s TYR 90 CO 0.09 0.03 0.44 -0.35 -1.11 0.00 0.00 175.55 174.64 2kh2 n PRO 91 N 2.09 -0.29 -3.86 -1.71 -0.04 -1.26 -4.83 135.00 125.10 2kh2 n PRO 91 Ca -0.17 -0.76 -0.10 0.00 -0.04 0.00 0.00 63.50 62.43 2kh2 n PRO 91 Cb 0.55 -0.43 -0.06 0.00 -0.04 0.00 0.00 33.50 33.52 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 -3.87 1.19 0.07 0.54 -2.85 -1.26 -5.07 119.74 108.48 2kh2 s LYS 92 Ca 0.26 -1.03 -0.24 0.00 -1.00 0.00 0.00 55.97 53.95 2kh2 s LYS 92 Cb -0.01 0.42 -0.16 0.00 -2.06 0.00 0.00 37.83 36.02 2kh2 s LYS 92 CO 0.18 -0.46 1.63 -0.22 0.10 0.00 0.00 175.35 176.58 2kh2 h LYS 93 N 2.45 -0.07 -4.42 1.78 1.63 -1.93 -3.38 116.57 112.63 2kh2 h LYS 93 Ca -0.31 0.00 -0.72 0.00 -0.85 0.00 0.00 60.65 58.78 2kh2 h LYS 93 Cb 1.24 0.02 -0.29 0.00 -0.60 0.00 0.00 32.23 32.59 2kh2 h LYS 93 CO 0.46 0.05 -0.46 0.21 -3.45 0.00 0.00 179.45 176.26 2kh2 s LYS 94 N -5.79 2.52 0.67 1.90 2.47 -1.26 -3.77 119.74 116.48 2kh2 s LYS 94 Ca -0.14 -1.56 -0.01 0.00 -1.56 0.00 0.00 55.97 52.70 2kh2 s LYS 94 Cb 0.05 -3.79 0.09 0.00 -1.46 0.00 0.00 37.83 32.72 2kh2 s LYS 94 CO 0.66 -1.02 0.93 -1.64 0.16 0.00 0.00 175.35 174.43 2kh2 s MET 95 N 1.38 2.00 0.61 4.03 -1.94 -1.26 -5.07 119.30 119.05 2kh2 s MET 95 Ca 0.04 -0.92 -0.17 0.00 -1.71 0.00 0.00 55.69 52.93 2kh2 s MET 95 Cb -0.24 -2.36 -0.03 0.00 2.01 0.00 0.00 34.83 34.21 2kh2 s MET 95 CO 0.01 -1.19 1.14 -1.21 -0.01 0.00 0.00 175.02 173.75 2kh2 s GLU 96 N -5.03 3.01 0.54 2.03 8.01 -1.26 -4.90 118.70 121.09 2kh2 s GLU 96 Ca 0.63 1.56 0.22 0.00 0.01 0.00 0.00 54.97 57.39 2kh2 s GLU 96 Cb -0.07 -1.96 1.45 0.00 -4.31 0.00 0.00 34.13 29.24 2kh2 s GLU 96 CO 0.42 -1.12 2.16 -0.22 0.01 0.00 0.00 175.26 176.52 2kh2 h LYS 97 N 0.60 0.00 0.00 1.61 1.63 -1.97 0.55 116.57 118.99 2kh2 h LYS 97 Ca -0.49 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 2kh2 h LYS 97 Cb 1.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 2kh2 h LYS 97 CO 0.55 0.04 0.00 2.89 -3.45 0.00 0.00 179.45 179.48 2kh2 n ARG 98 N -4.17 0.20 -0.03 1.90 1.85 -1.26 -2.82 116.66 112.34 2kh2 n ARG 98 Ca -0.03 0.06 0.04 0.00 -1.00 0.00 0.00 57.85 56.92 2kh2 n ARG 98 Cb 0.12 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 30.08 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 -1.38 0.07 -3.44 2.89 3.72 0.16 -0.71 117.46 118.77 2kh2 n PHE 99 Ca 0.09 -0.10 -0.38 0.00 -0.05 0.00 0.00 57.45 57.01 2kh2 n PHE 99 Cb 0.24 -0.01 -0.09 0.00 -0.94 0.00 0.00 39.48 38.69 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 -0.77 5.21 0.04 -4.37 1.01 -1.07 -4.22 120.40 116.24 2kh2 s VAL 100 Ca 0.11 0.53 0.05 0.00 0.00 0.00 0.00 61.98 62.67 2kh2 s VAL 100 Cb 0.07 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2kh2 s VAL 100 CO 0.11 0.21 -0.10 -0.36 0.00 0.00 0.00 175.10 174.96 2kh2 s PHE 101 N 1.77 2.78 -0.52 5.22 0.08 0.88 -1.63 117.98 126.55 2kh2 s PHE 101 Ca 0.14 -0.12 -0.16 0.00 0.12 0.00 0.00 56.93 56.92 2kh2 s PHE 101 Cb -0.15 -1.53 0.12 0.00 -0.57 0.00 0.00 43.02 40.89 2kh2 s PHE 101 CO 0.09 0.36 0.47 -0.80 -0.10 0.00 0.00 175.22 175.25 2kh2 s ASN 102 N -1.67 6.16 -0.70 1.36 0.01 0.24 -1.25 114.94 119.09 2kh2 s ASN 102 Ca 0.18 -1.71 -0.26 0.00 -0.71 0.00 0.00 52.86 50.36 2kh2 s ASN 102 Cb -0.11 -2.20 0.04 0.00 0.41 0.00 0.00 41.25 39.39 2kh2 s ASN 102 CO 0.09 -0.81 1.21 -0.75 -1.51 0.00 0.00 177.10 175.33 2kh2 s LYS 103 N 1.60 3.23 -0.02 -0.60 2.20 0.54 -0.95 119.74 125.74 2kh2 s LYS 103 Ca 0.03 -0.26 -0.14 0.00 -0.36 0.00 0.00 55.97 55.24 2kh2 s LYS 103 Cb -0.29 -4.16 -0.05 0.00 -1.51 0.00 0.00 37.83 31.82 2kh2 s LYS 103 CO 0.04 -2.01 0.39 0.42 -0.36 0.00 0.00 175.35 173.83 2kh2 s ILE 104 N 5.31 5.07 -0.51 5.43 1.01 0.73 -0.16 121.20 138.07 2kh2 s ILE 104 Ca 0.34 0.80 0.03 0.00 0.00 0.00 0.00 60.65 61.83 2kh2 s ILE 104 Cb -0.09 -3.70 0.15 0.00 0.01 0.00 0.00 42.46 38.83 2kh2 s ILE 104 CO 0.16 0.56 0.32 -1.61 0.00 0.00 0.00 174.94 174.37 2kh2 s GLU 105 N -0.94 1.63 0.00 2.79 2.02 -0.89 -0.05 118.70 123.26 2kh2 s GLU 105 Ca 0.23 -2.45 0.00 0.00 0.02 0.00 0.00 54.97 52.78 2kh2 s GLU 105 Cb -0.16 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.45 2kh2 s GLU 105 CO 0.12 -1.22 0.42 0.44 0.02 0.00 0.00 175.26 175.05 2kh2 n ILE 106 N 2.99 0.00 0.00 -1.63 -5.35 -1.19 -4.90 119.36 109.28 2kh2 n ILE 106 Ca 0.14 0.80 0.00 0.00 -0.27 0.00 0.00 62.75 63.42 2kh2 n ILE 106 Cb 0.36 -1.57 0.00 0.00 -1.74 0.00 0.00 39.64 36.70 2kh2 n ILE 106 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2kh2 n ASN 107 N -0.77 0.00 -0.68 7.28 0.23 -1.26 -4.94 115.26 115.12 2kh2 n ASN 107 Ca 0.00 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.16 2kh2 n ASN 107 Cb 0.00 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 37.74 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 2.42 -4.45 0.53 5.03 -1.26 -4.93 115.26 112.60 2kh2 n ASN 108 Ca 0.00 -1.71 -0.28 0.00 0.87 0.00 0.00 54.58 53.47 2kh2 n ASN 108 Cb 0.00 0.29 -0.12 0.00 -1.02 0.00 0.00 39.78 38.93 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 -2.28 1.61 0.13 3.52 -0.14 -1.26 -4.98 119.74 116.35 2kh2 s LYS 109 Ca 0.22 -1.41 0.09 0.00 -1.36 0.00 0.00 55.97 53.51 2kh2 s LYS 109 Cb 0.19 -1.94 -0.04 0.00 -1.68 0.00 0.00 37.83 34.36 2kh2 s LYS 109 CO 0.46 0.42 -0.18 -0.48 -0.76 0.00 0.00 175.35 174.82 2kh2 s LEU 110 N -2.52 2.71 0.07 3.17 2.34 -0.81 -3.20 118.68 120.44 2kh2 s LEU 110 Ca 0.20 -0.60 0.09 0.00 0.06 0.00 0.00 54.13 53.89 2kh2 s LEU 110 Cb -0.09 -1.52 -0.03 0.00 -0.56 0.00 0.00 46.19 43.99 2kh2 s LEU 110 CO 0.10 0.16 -0.26 -1.61 -1.06 0.00 0.00 176.35 173.68 2kh2 s GLU 111 N -2.30 1.64 -0.35 1.48 2.02 0.93 0.06 118.70 122.18 2kh2 s GLU 111 Ca 0.19 -1.16 -0.02 0.00 0.02 0.00 0.00 54.97 54.00 2kh2 s GLU 111 Cb -0.10 -1.89 0.08 0.00 0.10 0.00 0.00 34.13 32.31 2kh2 s GLU 111 CO 0.11 0.48 0.09 -0.06 0.02 0.00 0.00 175.26 175.90 2kh2 s PHE 112 N -0.88 3.42 0.24 1.61 0.08 -1.26 -0.19 117.98 121.00 2kh2 s PHE 112 Ca 0.12 -2.12 0.01 0.00 0.12 0.00 0.00 56.93 55.06 2kh2 s PHE 112 Cb -0.10 -2.62 -0.04 0.00 -0.57 0.00 0.00 43.02 39.70 2kh2 s PHE 112 CO 0.03 -0.87 0.42 -2.00 -0.10 0.00 0.00 175.22 172.70 2kh2 s GLU 113 N 1.20 3.50 -0.08 0.44 2.12 -0.12 -1.01 118.70 124.75 2kh2 s GLU 113 Ca 0.01 -0.41 -0.13 0.00 0.36 0.00 0.00 54.97 54.80 2kh2 s GLU 113 Cb -0.21 -2.81 -0.05 0.00 0.26 0.00 0.00 34.13 31.32 2kh2 s GLU 113 CO -0.02 0.35 0.33 0.45 -0.54 0.00 0.00 175.26 175.82 2kh2 s SER 114 N -3.50 6.61 0.15 -1.70 0.15 -0.15 0.79 113.70 116.06 2kh2 s SER 114 Ca 0.38 0.73 -0.08 0.00 0.70 0.00 0.00 55.95 57.68 2kh2 s SER 114 Cb -0.10 -2.20 -0.02 0.00 -1.71 0.00 0.00 66.02 61.98 2kh2 s SER 114 CO 0.31 0.26 1.41 0.00 1.20 0.00 0.00 173.24 176.41 2kh2 h ALA 115 N 5.45 0.51 -0.60 5.45 0.00 -1.53 -3.13 119.26 125.41 2kh2 h ALA 115 Ca -0.49 -0.55 -0.09 0.00 0.00 0.00 0.00 54.91 53.78 2kh2 h ALA 115 Cb 1.20 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2kh2 h ALA 115 CO 0.66 0.70 0.03 0.37 0.00 0.00 0.00 179.25 181.01 2kh2 h GLN 116 N 0.50 1.02 -3.97 0.00 5.75 -1.77 -3.38 115.11 113.26 2kh2 h GLN 116 Ca -0.01 -0.30 -0.63 0.00 -0.15 0.00 0.00 58.65 57.56 2kh2 h GLN 116 Cb 1.23 -0.11 -0.40 0.00 1.07 0.00 0.00 27.48 29.27 2kh2 h GLN 116 CO 0.13 0.98 -0.72 -0.06 -2.65 0.00 0.00 178.83 176.51 2kh2 s PHE 117 N -5.07 2.93 0.47 3.99 0.08 -1.19 -5.10 117.98 114.10 2kh2 s PHE 117 Ca -0.11 -2.64 -0.24 0.00 0.12 0.00 0.00 56.93 54.06 2kh2 s PHE 117 Cb 0.14 -2.48 -0.07 0.00 -0.57 0.00 0.00 43.02 40.05 2kh2 s PHE 117 CO 0.85 -0.88 1.29 -2.14 -0.10 0.00 0.00 175.22 174.24 2kh2 s PRO 118 N 0.81 3.61 0.00 0.24 0.02 -1.21 -2.49 135.00 135.98 2kh2 s PRO 118 Ca 0.13 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.24 2kh2 s PRO 118 Cb -0.20 -2.48 0.00 0.00 0.02 0.00 0.00 34.50 31.83 2kh2 s PRO 118 CO -0.10 -0.77 0.00 0.09 -0.33 0.00 0.00 177.00 175.89 2kh2 n ASN 119 N -0.46 0.00 -4.43 2.53 5.03 -1.26 -4.97 115.26 111.70 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 0.45 -0.76 -0.12 0.00 -1.02 0.00 0.00 39.78 38.33 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 -3.08 3.19 0.25 3.10 0.52 -1.04 -4.58 118.94 117.29 2kh2 s TRP 120 Ca 0.00 -0.65 0.10 0.00 0.02 0.00 0.00 56.10 55.57 2kh2 s TRP 120 Cb 0.00 -2.37 -0.04 0.00 -1.15 0.00 0.00 33.47 29.91 2kh2 s TRP 120 CO 0.00 -0.49 -0.05 0.71 0.02 0.00 0.00 176.95 177.14 2kh2 s TYR 121 N 1.60 2.63 -0.06 -1.98 1.51 0.04 -0.97 117.35 120.12 2kh2 s TYR 121 Ca 0.04 -0.24 -0.30 0.00 -1.01 0.00 0.00 57.07 55.57 2kh2 s TYR 121 Cb -0.17 -1.19 -0.05 0.00 -0.11 0.00 0.00 41.96 40.43 2kh2 s TYR 121 CO 0.06 0.61 1.54 0.42 -1.11 0.00 0.00 175.55 177.07 2kh2 s ILE 122 N -2.18 3.69 0.19 2.71 1.01 -0.18 -0.35 121.20 126.08 2kh2 s ILE 122 Ca 0.29 0.90 0.10 0.00 0.00 0.00 0.00 60.65 61.95 2kh2 s ILE 122 Cb -0.07 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 2kh2 s ILE 122 CO 0.18 -0.06 -0.22 -0.44 0.00 0.00 0.00 174.94 174.40 2kh2 s SER 123 N 2.80 3.17 0.10 3.58 0.01 0.49 -4.60 113.70 119.25 2kh2 s SER 123 Ca 0.69 -0.87 0.07 0.00 1.31 0.00 0.00 55.95 57.14 2kh2 s SER 123 Cb -0.31 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.66 2kh2 s SER 123 CO 0.27 0.06 -0.18 0.42 0.41 0.00 0.00 173.24 174.22 2kh2 s THR 124 N -1.84 1.50 0.63 1.44 -4.23 -0.84 -2.24 115.64 110.05 2kh2 s THR 124 Ca 0.19 -1.50 -0.11 0.00 -1.18 0.00 0.00 61.69 59.09 2kh2 s THR 124 Cb -0.07 -1.42 -0.04 0.00 1.34 0.00 0.00 72.50 72.31 2kh2 s THR 124 CO 0.09 -0.15 1.04 -0.44 -0.54 0.00 0.00 174.62 174.61 2kh2 s SER 125 N -1.94 6.17 0.42 3.99 0.01 -1.26 -0.92 113.70 120.17 2kh2 s SER 125 Ca 0.04 1.40 0.23 0.00 1.31 0.00 0.00 55.95 58.94 2kh2 s SER 125 Cb -0.09 -2.43 0.63 0.00 0.21 0.00 0.00 66.02 64.33 2kh2 s SER 125 CO 0.04 -0.91 1.70 1.56 0.41 0.00 0.00 173.24 176.04 2kh2 h GLN 126 N -0.35 0.00 -7.42 12.44 1.08 -1.98 -3.46 115.11 115.43 2kh2 h GLN 126 Ca -0.44 0.00 -0.47 0.00 -1.45 0.00 0.00 58.65 56.29 2kh2 h GLN 126 Cb 1.19 0.00 0.13 0.00 -0.05 0.00 0.00 27.48 28.76 2kh2 h GLN 126 CO 0.62 0.19 0.28 0.00 -0.95 0.00 0.00 178.83 178.97 2kh2 s ALA 127 N -3.37 1.72 0.10 3.87 0.00 -1.26 -5.05 121.76 117.79 2kh2 s ALA 127 Ca 0.03 -0.32 -0.11 0.00 0.00 0.00 0.00 51.96 51.56 2kh2 s ALA 127 Cb 0.08 -3.10 -0.06 0.00 0.00 0.00 0.00 23.12 20.04 2kh2 s ALA 127 CO 0.66 -2.23 0.45 -2.00 0.00 0.00 0.00 175.76 172.64 2kh2 s GLU 128 N -5.12 3.84 -1.24 0.00 2.56 -1.26 -4.26 118.70 113.20 2kh2 s GLU 128 Ca 0.63 0.29 -0.06 0.00 0.00 0.00 0.00 54.97 55.82 2kh2 s GLU 128 Cb -0.16 -2.97 0.01 0.00 2.00 0.00 0.00 34.13 33.00 2kh2 s GLU 128 CO 0.55 0.53 0.84 -1.71 -0.56 0.00 0.00 175.26 174.91 2kh2 n ASN 129 N 0.87 -5.71 -4.80 -1.70 5.15 -1.15 -5.01 115.26 102.92 2kh2 n ASN 129 Ca -0.07 -0.38 -0.33 0.00 -0.60 0.00 0.00 54.58 53.19 2kh2 n ASN 129 Cb 0.52 -4.41 -0.07 0.00 -0.53 0.00 0.00 39.78 35.29 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 -5.91 3.12 1.00 1.20 -1.94 -1.16 -4.86 119.30 110.74 2kh2 s MET 130 Ca 0.42 -0.45 -0.12 0.00 -1.71 0.00 0.00 55.69 53.83 2kh2 s MET 130 Cb -0.18 -2.90 0.19 0.00 2.01 0.00 0.00 34.83 33.95 2kh2 s MET 130 CO 0.51 0.66 1.09 -2.14 -0.01 0.00 0.00 175.02 175.13 2kh2 s PRO 131 N -1.69 0.45 -0.12 2.03 0.02 -1.26 0.21 135.00 134.64 2kh2 s PRO 131 Ca 0.23 0.60 -0.04 0.00 0.02 0.00 0.00 61.00 61.81 2kh2 s PRO 131 Cb -0.12 -1.73 -0.03 0.00 0.02 0.00 0.00 34.50 32.63 2kh2 s PRO 131 CO 0.13 -2.74 0.02 0.08 -0.33 0.00 0.00 177.00 174.17 2kh2 s VAL 132 N -2.92 4.49 0.34 3.83 1.01 -0.53 -4.41 120.40 122.21 2kh2 s VAL 132 Ca 0.65 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.53 2kh2 s VAL 132 Cb -0.19 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 2kh2 s VAL 132 CO 0.58 0.55 0.32 0.72 0.00 0.00 0.00 175.10 177.27 2kh2 s PHE 133 N -0.38 1.70 -0.32 5.22 -0.71 -0.95 -4.83 117.98 117.70 2kh2 s PHE 133 Ca 0.08 -1.63 -0.14 0.00 -1.04 0.00 0.00 56.93 54.20 2kh2 s PHE 133 Cb -0.12 -0.63 -0.02 0.00 -1.21 0.00 0.00 43.02 41.04 2kh2 s PHE 133 CO 0.02 -0.93 0.30 -1.17 -1.34 0.00 0.00 175.22 172.09 2kh2 s LEU 134 N -3.37 4.33 0.19 -1.99 2.96 -1.26 -0.38 118.68 119.15 2kh2 s LEU 134 Ca 0.39 -0.17 0.09 0.00 -0.22 0.00 0.00 54.13 54.23 2kh2 s LEU 134 Cb 0.02 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 2kh2 s LEU 134 CO 0.28 -0.23 -0.10 -0.83 -1.32 0.00 0.00 176.35 174.14 2kh2 s GLY 135 N 1.72 1.73 -0.08 7.98 0.00 0.52 -4.84 107.32 114.36 2kh2 s GLY 135 Ca 0.10 -1.51 0.12 0.00 0.00 0.00 0.00 44.72 43.42 2kh2 s GLY 135 CO 0.11 -1.54 1.21 0.61 0.00 0.00 0.00 173.10 173.50 2kh2 n GLY 136 N -0.02 3.67 2.77 0.20 0.00 -1.26 -0.78 105.19 109.77 2kh2 n GLY 136 Ca -0.10 -0.64 -0.38 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 -0.47 5.02 -1.84 2.61 -1.04 -1.26 -4.95 114.28 112.35 2kh2 n THR 137 Ca 0.12 -5.83 -0.42 0.00 -2.04 0.00 0.00 64.05 55.88 2kh2 n THR 137 Cb 0.56 -1.75 -0.03 0.00 -1.82 0.00 0.00 70.33 67.29 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 -3.53 4.06 0.00 -2.82 2.20 -1.26 -1.39 119.74 117.01 2kh2 s LYS 138 Ca 0.38 2.32 0.00 0.00 -0.36 0.00 0.00 55.97 58.31 2kh2 s LYS 138 Cb 0.15 -4.09 0.00 0.00 -1.51 0.00 0.00 37.83 32.38 2kh2 s LYS 138 CO -0.04 -1.01 0.00 0.41 -0.36 0.00 0.00 175.35 174.34 2kh2 n GLY 139 N 4.46 0.74 0.00 5.54 0.00 -1.26 -5.04 105.19 109.63 2kh2 n GLY 139 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.48 1.34 0.13 -0.02 0.00 -0.48 -5.00 105.19 98.68 2kh2 n GLY 140 Ca 0.00 -1.21 -0.22 0.00 0.00 0.00 0.00 46.02 44.59 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 0.43 -6.59 1.61 7.50 -1.97 -3.45 115.11 112.64 2kh2 h GLN 141 Ca 0.00 -0.71 -0.53 0.00 0.50 0.00 0.00 58.65 57.91 2kh2 h GLN 141 Cb 0.00 0.26 0.03 0.00 0.05 0.00 0.00 27.48 27.82 2kh2 h GLN 141 CO 0.00 1.33 0.69 -0.51 -1.50 0.00 0.00 178.83 178.85 2kh2 s ASP 142 N -7.25 6.86 0.13 1.46 1.01 -1.26 -4.64 116.67 112.97 2kh2 s ASP 142 Ca -0.11 2.34 -0.31 0.00 0.71 0.00 0.00 52.55 55.18 2kh2 s ASP 142 Cb 0.03 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.27 2kh2 s ASP 142 CO 0.89 -0.60 1.52 -0.63 0.21 0.00 0.00 175.17 176.56 2kh2 s ILE 143 N 0.73 2.92 -0.39 0.77 1.01 -0.10 -4.58 121.20 121.56 2kh2 s ILE 143 Ca 0.61 0.62 0.05 0.00 0.00 0.00 0.00 60.65 61.93 2kh2 s ILE 143 Cb -0.36 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 2kh2 s ILE 143 CO 0.33 0.04 0.36 0.35 0.00 0.00 0.00 174.94 176.02 2kh2 n THR 144 N 4.11 0.00 -4.26 2.92 -2.24 -1.26 -1.99 114.28 111.56 2kh2 n THR 144 Ca 0.13 -0.42 -0.32 0.00 -2.27 0.00 0.00 64.05 61.18 2kh2 n THR 144 Cb 0.40 1.04 -0.09 0.00 -2.10 0.00 0.00 70.33 69.58 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 -1.17 5.00 0.35 3.42 -4.77 -1.26 -4.28 116.67 113.96 2kh2 s ASP 145 Ca 0.03 -0.09 0.05 0.00 -3.30 0.00 0.00 52.55 49.25 2kh2 s ASP 145 Cb 0.04 -1.24 -0.03 0.00 -1.09 0.00 0.00 42.92 40.60 2kh2 s ASP 145 CO 0.17 0.24 0.21 -0.36 0.70 0.00 0.00 175.17 176.13 2kh2 s PHE 146 N -1.15 1.72 0.45 2.11 0.08 0.11 -3.73 117.98 117.57 2kh2 s PHE 146 Ca 0.21 -1.51 0.07 0.00 0.12 0.00 0.00 56.93 55.82 2kh2 s PHE 146 Cb -0.11 -0.86 -0.02 0.00 -0.57 0.00 0.00 43.02 41.45 2kh2 s PHE 146 CO 0.13 -0.65 0.26 0.95 -0.10 0.00 0.00 175.22 175.81 2kh2 s THR 147 N -3.41 2.14 -0.18 0.64 -4.23 0.42 -1.93 115.64 109.09 2kh2 s THR 147 Ca 0.34 -1.59 -0.04 0.00 -1.18 0.00 0.00 61.69 59.22 2kh2 s THR 147 Cb 0.03 -2.74 0.06 0.00 1.34 0.00 0.00 72.50 71.19 2kh2 s THR 147 CO 0.22 0.00 0.07 -0.32 -0.54 0.00 0.00 174.62 174.04 2kh2 s MET 148 N -4.04 0.32 -0.30 3.99 1.75 -1.26 -4.14 119.30 115.62 2kh2 s MET 148 Ca 0.38 -0.22 0.03 0.00 -1.25 0.00 0.00 55.69 54.64 2kh2 s MET 148 Cb 0.01 -1.92 0.08 0.00 2.84 0.00 0.00 34.83 35.84 2kh2 s MET 148 CO 0.22 -0.65 -0.03 -0.65 -0.65 0.00 0.00 175.02 173.26 2kh2 s GLN 149 N 2.02 1.81 0.25 4.11 1.11 -0.86 -4.96 119.66 123.14 2kh2 s GLN 149 Ca 0.01 -1.55 -0.30 0.00 0.01 0.00 0.00 55.36 53.53 2kh2 s GLN 149 Cb -0.16 -2.98 -0.09 0.00 -1.01 0.00 0.00 33.01 28.76 2kh2 s GLN 149 CO -0.08 -0.75 1.00 -0.06 0.01 0.00 0.00 175.29 175.40 2kh2 s PHE 150 N 1.05 3.84 0.51 0.91 0.08 -1.26 -0.24 117.98 122.86 2kh2 s PHE 150 Ca 0.01 1.84 0.06 0.00 0.12 0.00 0.00 56.93 58.95 2kh2 s PHE 150 Cb -0.19 -3.09 0.02 0.00 -0.57 0.00 0.00 43.02 39.18 2kh2 s PHE 150 CO -0.07 0.09 0.35 0.14 -0.10 0.00 0.00 175.22 175.62 2kh2 s VAL 151 N -1.14 1.80 -1.06 -0.44 -7.23 -0.52 -4.95 120.40 106.85 2kh2 s VAL 151 Ca 0.42 -1.54 -0.16 0.00 -1.81 0.00 0.00 61.98 58.90 2kh2 s VAL 151 Cb -0.28 -2.34 0.15 0.00 0.56 0.00 0.00 36.38 34.47 2kh2 s VAL 151 CO 0.35 0.00 1.28 -0.44 -0.31 0.00 0.00 175.10 175.98 2kh2 s SER 152 N -4.19 6.84 0.00 4.85 0.01 -1.26 -4.77 113.70 115.19 2kh2 s SER 152 Ca 0.34 -2.51 0.00 0.00 1.31 0.00 0.00 55.95 55.09 2kh2 s SER 152 Cb -0.01 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2kh2 s SER 152 CO 0.21 -0.91 0.00 -1.20 0.41 0.00 0.00 173.24 171.75