#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 0.26 -5.58 0.00 0.11 -2.08 -3.42 132.00 121.28 2kh2 h PRO 2 Ca 0.00 -0.12 -0.67 0.00 0.11 0.00 0.00 66.00 65.32 2kh2 h PRO 2 Cb 0.00 -0.00 -0.28 0.00 0.11 0.00 0.00 31.00 30.82 2kh2 h PRO 2 CO 0.00 0.62 -0.81 0.54 -0.21 0.00 0.00 178.00 178.15 2kh2 s VAL 3 N -4.16 2.69 0.03 3.15 0.11 -1.26 -5.12 120.40 115.84 2kh2 s VAL 3 Ca -0.05 -0.81 -0.00 0.00 -2.93 0.00 0.00 61.98 58.19 2kh2 s VAL 3 Cb 0.13 -2.08 -0.04 0.00 -1.53 0.00 0.00 36.38 32.86 2kh2 s VAL 3 CO 0.77 0.55 0.14 -0.13 -3.33 0.00 0.00 175.10 173.10 2kh2 s ARG 4 N 0.11 3.22 -0.15 1.54 0.52 -1.26 -5.11 118.95 117.82 2kh2 s ARG 4 Ca -0.08 -0.48 -0.16 0.00 -0.52 0.00 0.00 55.73 54.49 2kh2 s ARG 4 Cb -0.15 -2.94 0.04 0.00 0.52 0.00 0.00 34.95 32.42 2kh2 s ARG 4 CO 0.05 0.63 0.45 -1.12 0.02 0.00 0.00 175.30 175.33 2kh2 s SER 5 N -2.14 -0.46 0.27 0.23 0.01 -1.26 -4.35 113.70 106.00 2kh2 s SER 5 Ca 0.29 0.85 0.03 0.00 1.31 0.00 0.00 55.95 58.42 2kh2 s SER 5 Cb -0.12 0.87 -0.06 0.00 0.21 0.00 0.00 66.02 66.92 2kh2 s SER 5 CO 0.21 -0.19 0.06 -1.48 0.41 0.00 0.00 173.24 172.24 2kh2 s LEU 6 N 0.07 1.97 0.03 2.44 0.05 -1.22 -4.97 118.68 117.06 2kh2 s LEU 6 Ca -0.01 -1.34 0.07 0.00 0.05 0.00 0.00 54.13 52.90 2kh2 s LEU 6 Cb -0.03 -0.20 -0.03 0.00 -2.05 0.00 0.00 46.19 43.88 2kh2 s LEU 6 CO 0.01 -0.63 -0.19 0.20 -0.55 0.00 0.00 176.35 175.19 2kh2 s ASN 7 N -3.37 3.72 0.25 1.48 0.01 -1.26 -0.41 114.94 115.36 2kh2 s ASN 7 Ca 0.35 -0.41 -0.20 0.00 -0.71 0.00 0.00 52.86 51.89 2kh2 s ASN 7 Cb 0.08 -0.59 0.02 0.00 0.41 0.00 0.00 41.25 41.17 2kh2 s ASN 7 CO 0.13 0.27 0.65 0.00 -1.51 0.00 0.00 177.10 176.64 2kh2 s THR 9 N -3.91 3.05 -0.10 0.00 -4.23 0.68 -1.50 115.64 109.64 2kh2 s THR 9 Ca 0.11 -1.86 0.04 0.00 -1.18 0.00 0.00 61.69 58.79 2kh2 s THR 9 Cb -0.04 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.25 2kh2 s THR 9 CO 0.04 -0.21 -0.23 -0.76 -0.54 0.00 0.00 174.62 172.91 2kh2 s LEU 10 N -3.10 2.07 -0.03 4.79 1.43 -1.26 -0.96 118.68 121.63 2kh2 s LEU 10 Ca 0.27 -0.55 0.04 0.00 -1.03 0.00 0.00 54.13 52.85 2kh2 s LEU 10 Cb -0.08 -1.39 -0.00 0.00 0.03 0.00 0.00 46.19 44.75 2kh2 s LEU 10 CO 0.16 0.15 -0.13 -0.13 0.23 0.00 0.00 176.35 176.62 2kh2 s ARG 11 N 0.41 1.33 0.96 1.70 0.52 -1.23 -4.09 118.95 118.55 2kh2 s ARG 11 Ca -0.17 -0.47 -0.15 0.00 -0.52 0.00 0.00 55.73 54.42 2kh2 s ARG 11 Cb -0.18 -1.21 0.20 0.00 0.52 0.00 0.00 34.95 34.29 2kh2 s ARG 11 CO 0.08 0.20 1.31 0.16 0.02 0.00 0.00 175.30 177.07 2kh2 s ASP 12 N 0.04 3.11 0.01 0.23 1.47 -1.12 -0.96 116.67 119.44 2kh2 s ASP 12 Ca -0.02 0.19 0.08 0.00 1.18 0.00 0.00 52.55 53.99 2kh2 s ASP 12 Cb -0.09 -0.23 0.35 0.00 -0.34 0.00 0.00 42.92 42.61 2kh2 s ASP 12 CO 0.01 -2.73 1.26 -1.54 0.68 0.00 0.00 175.17 172.85 2kh2 n SER 13 N -3.74 0.01 -1.05 2.11 3.41 -1.25 -1.10 113.62 112.01 2kh2 n SER 13 Ca 0.16 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.39 2kh2 n SER 13 Cb 0.59 -0.51 0.16 0.00 -0.26 0.00 0.00 64.21 64.19 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 -1.52 2.40 -1.75 4.33 1.13 -1.26 -4.95 117.38 115.77 2kh2 n GLN 14 Ca 0.02 -2.10 -0.09 0.00 -1.94 0.00 0.00 57.00 52.88 2kh2 n GLN 14 Cb 0.09 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 28.94 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 1.42 -0.70 -3.02 -1.09 1.13 -0.26 -4.97 117.38 109.89 2kh2 n GLN 15 Ca 0.17 0.63 -0.32 0.00 -1.94 0.00 0.00 57.00 55.53 2kh2 n GLN 15 Cb 0.60 -4.59 -0.06 0.00 0.11 0.00 0.00 30.24 26.30 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 -3.67 4.01 0.17 -1.09 1.02 -1.26 -3.97 119.74 114.96 2kh2 s LYS 16 Ca 0.00 0.73 0.11 0.00 0.02 0.00 0.00 55.97 56.83 2kh2 s LYS 16 Cb 0.00 -2.37 -0.04 0.00 -0.52 0.00 0.00 37.83 34.90 2kh2 s LYS 16 CO 0.00 0.08 -0.25 -1.12 -0.92 0.00 0.00 175.35 173.15 2kh2 s SER 17 N -2.40 3.35 -0.17 2.83 0.01 0.10 -2.77 113.70 114.66 2kh2 s SER 17 Ca 0.55 -0.83 -0.22 0.00 1.31 0.00 0.00 55.95 56.76 2kh2 s SER 17 Cb -0.10 -0.24 -0.03 0.00 0.21 0.00 0.00 66.02 65.87 2kh2 s SER 17 CO 0.19 0.13 0.66 -0.76 0.41 0.00 0.00 173.24 173.87 2kh2 s LEU 18 N -2.49 4.19 0.22 2.44 1.43 -1.26 -1.41 118.68 121.80 2kh2 s LEU 18 Ca 0.18 0.94 0.11 0.00 -1.03 0.00 0.00 54.13 54.33 2kh2 s LEU 18 Cb -0.08 -2.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.13 2kh2 s LEU 18 CO 0.09 -0.25 -0.20 0.68 0.23 0.00 0.00 176.35 176.90 2kh2 s VAL 19 N 1.67 2.20 -0.58 -1.59 -7.23 0.10 -0.91 120.40 114.06 2kh2 s VAL 19 Ca 0.31 -2.19 -0.28 0.00 -1.81 0.00 0.00 61.98 58.01 2kh2 s VAL 19 Cb -0.16 -2.13 0.02 0.00 0.56 0.00 0.00 36.38 34.67 2kh2 s VAL 19 CO 0.12 -0.35 1.36 -0.04 -0.31 0.00 0.00 175.10 175.88 2kh2 s MET 20 N -3.19 3.33 0.00 4.82 -1.94 -1.26 -1.15 119.30 119.91 2kh2 s MET 20 Ca 0.24 0.34 0.00 0.00 -1.71 0.00 0.00 55.69 54.56 2kh2 s MET 20 Cb -0.05 -4.11 0.00 0.00 2.01 0.00 0.00 34.83 32.68 2kh2 s MET 20 CO 0.11 -1.91 0.08 0.45 -0.01 0.00 0.00 175.02 173.73 2kh2 n SER 21 N 9.36 0.00 -0.86 3.03 2.88 -0.42 -4.94 113.62 122.67 2kh2 n SER 21 Ca 0.11 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 2kh2 n SER 21 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 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 1.97 3.10 0.23 0.46 0.00 -1.17 -4.95 105.19 104.83 2kh2 n GLY 22 Ca 0.00 -2.09 0.01 0.00 0.00 0.00 0.00 46.02 43.95 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 0.23 -0.47 1.61 0.13 -2.04 -3.21 132.00 128.25 2kh2 h PRO 23 Ca 0.00 -0.06 -0.33 0.00 -0.87 0.00 0.00 66.00 64.74 2kh2 h PRO 23 Cb 0.00 -0.02 -0.38 0.00 0.13 0.00 0.00 31.00 30.72 2kh2 h PRO 23 CO 0.00 0.43 -0.97 0.66 -0.23 0.00 0.00 178.00 177.89 2kh2 n TYR 24 N -4.21 1.57 -3.89 1.56 4.01 -1.26 -5.07 117.16 109.88 2kh2 n TYR 24 Ca -0.01 -1.97 -0.11 0.00 -0.16 0.00 0.00 57.90 55.65 2kh2 n TYR 24 Cb 0.32 -0.26 -0.13 0.00 -0.31 0.00 0.00 39.34 38.96 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 -3.34 0.14 -0.03 -0.72 2.12 -1.22 -4.55 118.70 111.10 2kh2 s GLU 25 Ca 0.37 -0.13 0.06 0.00 0.36 0.00 0.00 54.97 55.63 2kh2 s GLU 25 Cb 0.36 0.05 -0.01 0.00 0.26 0.00 0.00 34.13 34.79 2kh2 s GLU 25 CO -0.03 -0.02 -0.22 -0.51 -0.54 0.00 0.00 175.26 173.95 2kh2 s LEU 26 N -0.41 2.02 0.19 2.70 1.43 -1.26 -1.29 118.68 122.05 2kh2 s LEU 26 Ca -0.05 -0.41 0.10 0.00 -1.03 0.00 0.00 54.13 52.74 2kh2 s LEU 26 Cb -0.03 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 45.00 2kh2 s LEU 26 CO -0.00 0.24 -0.21 -0.54 0.23 0.00 0.00 176.35 176.07 2kh2 s LYS 27 N -0.30 1.41 -0.17 1.70 1.02 -0.30 -2.33 119.74 120.76 2kh2 s LYS 27 Ca 0.03 -1.49 0.01 0.00 0.02 0.00 0.00 55.97 54.54 2kh2 s LYS 27 Cb -0.10 -1.57 0.01 0.00 -0.52 0.00 0.00 37.83 35.65 2kh2 s LYS 27 CO 0.01 0.32 -0.18 0.00 -0.92 0.00 0.00 175.35 174.59 2kh2 s ALA 28 N -1.95 2.40 0.11 5.17 0.00 0.62 0.00 121.76 128.11 2kh2 s ALA 28 Ca 0.19 -1.16 -0.11 0.00 0.00 0.00 0.00 51.96 50.88 2kh2 s ALA 28 Cb -0.06 -1.22 0.01 0.00 0.00 0.00 0.00 23.12 21.85 2kh2 s ALA 28 CO 0.09 -0.25 0.27 -0.48 0.00 0.00 0.00 175.76 175.39 2kh2 s LEU 29 N 1.15 1.03 0.18 0.00 0.05 -0.50 -3.06 118.68 117.52 2kh2 s LEU 29 Ca 0.01 -0.56 -0.32 0.00 0.05 0.00 0.00 54.13 53.32 2kh2 s LEU 29 Cb -0.14 1.33 -0.11 0.00 -2.05 0.00 0.00 46.19 45.22 2kh2 s LEU 29 CO -0.08 -0.79 1.71 -1.00 -0.55 0.00 0.00 176.35 175.65 2kh2 s HIS 30 N -3.85 2.78 -0.08 3.48 3.76 -1.26 0.03 115.29 120.15 2kh2 s HIS 30 Ca 0.05 0.33 -0.02 0.00 -0.15 0.00 0.00 55.06 55.26 2kh2 s HIS 30 Cb 0.04 -4.10 0.04 0.00 1.11 0.00 0.00 32.58 29.66 2kh2 s HIS 30 CO -0.10 -4.25 0.05 -1.17 -0.85 0.00 0.00 174.74 168.42 2kh2 s LEU 31 N 1.51 0.36 -0.18 0.89 2.96 -1.25 -4.86 118.68 118.10 2kh2 s LEU 31 Ca 0.75 -0.16 -0.08 0.00 -0.22 0.00 0.00 54.13 54.42 2kh2 s LEU 31 Cb -0.48 -0.27 0.08 0.00 0.50 0.00 0.00 46.19 46.02 2kh2 s LEU 31 CO 0.33 -0.26 0.41 -1.58 -1.32 0.00 0.00 176.35 173.92 2kh2 s GLN 32 N 2.09 0.34 0.00 1.98 -0.44 -1.26 -4.86 119.66 117.51 2kh2 s GLN 32 Ca 0.04 0.93 0.00 0.00 -2.50 0.00 0.00 55.36 53.83 2kh2 s GLN 32 Cb -0.13 0.18 0.00 0.00 -1.64 0.00 0.00 33.01 31.42 2kh2 s GLN 32 CO -0.05 -0.22 0.00 0.41 0.50 0.00 0.00 175.29 175.93 2kh2 n GLY 33 N 4.99 0.38 0.00 2.59 0.00 -1.26 -4.63 105.19 107.26 2kh2 n GLY 33 Ca -0.14 -2.16 0.10 0.00 0.00 0.00 0.00 46.02 43.82 2kh2 n GLY 33 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kh2 n GLN 34 N 0.00 0.65 0.00 1.61 1.13 -1.26 -1.89 117.38 117.62 2kh2 n GLN 34 Ca 0.00 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.17 2kh2 n GLN 34 Cb 0.00 -1.48 -0.01 0.00 0.11 0.00 0.00 30.24 28.87 2kh2 n GLN 34 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2kh2 n ASP 35 N -0.98 1.52 0.30 1.08 9.92 -1.26 -4.30 116.55 122.83 2kh2 n ASP 35 Ca 0.15 -1.23 0.16 0.00 -0.53 0.00 0.00 54.79 53.34 2kh2 n ASP 35 Cb 0.07 0.63 0.94 0.00 -0.64 0.00 0.00 41.12 42.12 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 1.37 0.00 -0.10 -1.24 4.05 -1.68 -2.06 114.93 115.27 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 0.64 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 2kh2 h MET 36 CO 0.00 0.02 0.00 0.39 0.23 0.00 0.00 176.91 177.55 2kh2 n GLU 37 N -3.68 0.92 -0.07 0.39 -0.58 -1.26 -2.96 120.64 113.40 2kh2 n GLU 37 Ca -0.03 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.83 2kh2 n GLU 37 Cb 0.10 -1.05 0.20 0.00 -0.57 0.00 0.00 31.44 30.12 2kh2 n GLU 37 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2kh2 n GLN 38 N -0.44 2.29 -1.89 3.49 7.27 -0.77 -4.96 117.38 122.37 2kh2 n GLN 38 Ca 0.00 -1.90 -0.29 0.00 0.07 0.00 0.00 57.00 54.88 2kh2 n GLN 38 Cb 0.03 -1.48 0.09 0.00 2.41 0.00 0.00 30.24 31.29 2kh2 n GLN 38 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 2kh2 s GLN 39 N -1.81 1.94 0.06 3.69 -2.07 -1.15 -4.38 119.66 115.93 2kh2 s GLN 39 Ca 0.33 0.12 -0.03 0.00 -1.82 0.00 0.00 55.36 53.95 2kh2 s GLN 39 Cb 0.21 -1.95 -0.05 0.00 -1.09 0.00 0.00 33.01 30.14 2kh2 s GLN 39 CO 0.31 -1.61 0.26 0.08 -1.32 0.00 0.00 175.29 173.01 2kh2 s VAL 40 N -3.57 5.31 -0.14 3.63 1.01 -0.09 -4.91 120.40 121.65 2kh2 s VAL 40 Ca 0.62 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.50 2kh2 s VAL 40 Cb -0.11 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 2kh2 s VAL 40 CO 0.49 0.21 -0.09 -0.69 0.00 0.00 0.00 175.10 175.01 2kh2 s VAL 41 N -1.46 3.39 -0.06 2.92 1.01 -1.26 -4.70 120.40 120.24 2kh2 s VAL 41 Ca 0.33 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 2kh2 s VAL 41 Cb -0.13 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 2kh2 s VAL 41 CO 0.22 0.52 0.00 -0.36 0.00 0.00 0.00 175.10 175.48 2kh2 s PHE 42 N 0.29 3.13 -0.25 5.22 0.08 -0.56 -1.41 117.98 124.48 2kh2 s PHE 42 Ca -0.07 0.16 -0.18 0.00 0.12 0.00 0.00 56.93 56.95 2kh2 s PHE 42 Cb -0.15 -1.75 -0.03 0.00 -0.57 0.00 0.00 43.02 40.52 2kh2 s PHE 42 CO 0.04 0.46 0.52 -1.12 -0.10 0.00 0.00 175.22 175.02 2kh2 s SER 43 N -1.08 6.46 -0.48 1.36 0.01 -0.29 -1.82 113.70 117.87 2kh2 s SER 43 Ca 0.15 0.56 -0.26 0.00 1.31 0.00 0.00 55.95 57.71 2kh2 s SER 43 Cb -0.11 -2.28 0.03 0.00 0.21 0.00 0.00 66.02 63.86 2kh2 s SER 43 CO 0.05 -0.26 0.97 -0.04 0.41 0.00 0.00 173.24 174.36 2kh2 s MET 44 N 2.15 3.54 -0.21 12.44 -1.94 0.45 -3.68 119.30 132.06 2kh2 s MET 44 Ca 0.22 0.18 -0.07 0.00 -1.71 0.00 0.00 55.69 54.31 2kh2 s MET 44 Cb -0.16 -3.94 -0.03 0.00 2.01 0.00 0.00 34.83 32.71 2kh2 s MET 44 CO 0.09 -1.30 0.05 -1.12 -0.01 0.00 0.00 175.02 172.74 2kh2 s SER 45 N 2.38 5.29 -0.81 3.03 0.01 -1.15 -3.40 113.70 119.06 2kh2 s SER 45 Ca 0.38 -0.07 -0.22 0.00 1.31 0.00 0.00 55.95 57.35 2kh2 s SER 45 Cb -0.10 -1.92 0.08 0.00 0.21 0.00 0.00 66.02 64.29 2kh2 s SER 45 CO 0.26 0.09 1.15 -0.36 0.41 0.00 0.00 173.24 174.79 2kh2 s PHE 46 N 0.88 2.71 0.98 2.43 0.40 -1.26 -0.26 117.98 123.85 2kh2 s PHE 46 Ca 0.03 -0.75 -0.15 0.00 -0.60 0.00 0.00 56.93 55.46 2kh2 s PHE 46 Cb -0.14 -4.42 0.19 0.00 0.51 0.00 0.00 43.02 39.16 2kh2 s PHE 46 CO 0.02 -1.73 1.20 0.14 0.70 0.00 0.00 175.22 175.56 2kh2 s VAL 47 N 4.13 1.91 -0.52 -0.44 -7.23 -1.14 -4.80 120.40 112.31 2kh2 s VAL 47 Ca 0.32 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.36 2kh2 s VAL 47 Cb -0.09 -2.81 0.13 0.00 0.56 0.00 0.00 36.38 34.17 2kh2 s VAL 47 CO 0.02 0.00 0.44 -1.58 -0.31 0.00 0.00 175.10 173.66 2kh2 s GLN 48 N -5.55 2.76 0.00 4.82 2.00 -0.77 -4.86 119.66 118.06 2kh2 s GLN 48 Ca 0.69 -1.78 0.00 0.00 -2.00 0.00 0.00 55.36 52.27 2kh2 s GLN 48 Cb -0.09 -4.12 0.00 0.00 0.80 0.00 0.00 33.01 29.59 2kh2 s GLN 48 CO 0.53 -1.26 0.00 0.41 -0.50 0.00 0.00 175.29 174.47 2kh2 n GLY 49 N 5.01 3.37 3.56 2.59 0.00 -1.26 -4.87 105.19 113.59 2kh2 n GLY 49 Ca -0.10 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 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 4.38 2.37 -0.29 1.61 2.56 -1.26 -4.93 118.70 123.15 2kh2 s GLU 50 Ca 0.00 -0.29 -0.25 0.00 0.00 0.00 0.00 54.97 54.43 2kh2 s GLU 50 Cb 0.00 -5.04 0.00 0.00 2.00 0.00 0.00 34.13 31.09 2kh2 s GLU 50 CO 0.00 -3.66 0.86 -1.21 -0.56 0.00 0.00 175.26 170.68 2kh2 s GLU 51 N 7.25 4.05 0.23 4.30 2.02 -1.26 -3.78 118.70 131.50 2kh2 s GLU 51 Ca 0.73 0.80 -0.01 0.00 0.02 0.00 0.00 54.97 56.51 2kh2 s GLU 51 Cb -0.07 -3.70 -0.03 0.00 0.10 0.00 0.00 34.13 30.43 2kh2 s GLU 51 CO 0.03 -0.67 0.19 -1.12 0.02 0.00 0.00 175.26 173.71 2kh2 s SER 52 N 1.53 0.38 0.04 -0.19 0.01 -0.95 -5.05 113.70 109.46 2kh2 s SER 52 Ca 0.36 -1.41 0.06 0.00 1.31 0.00 0.00 55.95 56.27 2kh2 s SER 52 Cb -0.14 0.43 -0.23 0.00 0.21 0.00 0.00 66.02 66.29 2kh2 s SER 52 CO 0.11 -0.91 0.99 -1.13 0.41 0.00 0.00 173.24 172.71 2kh2 h ASN 53 N 2.50 0.10 0.02 2.44 -0.73 -2.00 -3.39 115.58 114.52 2kh2 h ASN 53 Ca -0.33 -0.13 -0.35 0.00 1.87 0.00 0.00 56.30 57.35 2kh2 h ASN 53 Cb 1.25 -0.03 -0.05 0.00 0.27 0.00 0.00 38.32 39.76 2kh2 h ASN 53 CO 0.49 1.11 -1.95 -0.90 -0.37 0.00 0.00 177.43 175.80 2kh2 n ASP 54 N -3.28 1.95 -4.37 1.15 5.75 -1.26 -4.82 116.55 111.67 2kh2 n ASP 54 Ca -0.09 0.30 -0.43 0.00 -0.01 0.00 0.00 54.79 54.55 2kh2 n ASP 54 Cb 1.00 -0.84 -0.08 0.00 -1.03 0.00 0.00 41.12 40.17 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 -2.46 2.90 -0.18 0.11 1.02 -1.26 -2.45 119.74 117.42 2kh2 s LYS 55 Ca -0.32 -1.34 -0.07 0.00 0.02 0.00 0.00 55.97 54.25 2kh2 s LYS 55 Cb 0.09 -4.04 -0.04 0.00 -0.52 0.00 0.00 37.83 33.33 2kh2 s LYS 55 CO 0.58 -0.98 0.06 0.96 -0.92 0.00 0.00 175.35 175.05 2kh2 s ILE 56 N 1.60 4.78 -0.31 2.17 -0.00 0.13 -2.25 121.20 127.32 2kh2 s ILE 56 Ca 0.04 -0.04 -0.27 0.00 -0.00 0.00 0.00 60.65 60.37 2kh2 s ILE 56 Cb -0.24 -3.14 0.01 0.00 -0.00 0.00 0.00 42.46 39.09 2kh2 s ILE 56 CO 0.06 0.47 0.99 -2.16 -0.00 0.00 0.00 174.94 174.30 2kh2 s PRO 57 N 0.27 4.06 0.06 0.37 0.04 -1.25 0.09 135.00 138.64 2kh2 s PRO 57 Ca 0.04 0.96 -0.00 0.00 0.04 0.00 0.00 61.00 62.04 2kh2 s PRO 57 Cb -0.12 -3.72 -0.04 0.00 0.04 0.00 0.00 34.50 30.65 2kh2 s PRO 57 CO 0.00 -0.81 -0.04 0.14 0.04 0.00 0.00 177.00 176.33 2kh2 s VAL 58 N 3.40 0.37 0.13 -0.36 -7.23 0.07 -2.89 120.40 113.89 2kh2 s VAL 58 Ca 0.41 -1.81 0.04 0.00 -1.81 0.00 0.00 61.98 58.81 2kh2 s VAL 58 Cb -0.13 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.26 2kh2 s VAL 58 CO 0.13 -0.93 0.15 0.00 -0.31 0.00 0.00 175.10 174.14 2kh2 s ALA 59 N -3.71 3.67 -0.25 1.32 0.00 0.64 -0.65 121.76 122.77 2kh2 s ALA 59 Ca 0.07 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 50.93 2kh2 s ALA 59 Cb 0.06 -1.49 0.07 0.00 0.00 0.00 0.00 23.12 21.77 2kh2 s ALA 59 CO -0.08 0.59 -0.02 -0.51 0.00 0.00 0.00 175.76 175.74 2kh2 s LEU 60 N -2.91 2.68 0.10 0.00 1.43 -1.26 -2.93 118.68 115.79 2kh2 s LEU 60 Ca 0.31 -1.32 0.06 0.00 -1.03 0.00 0.00 54.13 52.15 2kh2 s LEU 60 Cb -0.11 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.92 2kh2 s LEU 60 CO 0.24 -0.28 -0.14 -0.83 0.23 0.00 0.00 176.35 175.57 2kh2 s GLY 61 N 1.40 0.98 0.13 -3.19 0.00 -1.24 -1.00 107.32 104.40 2kh2 s GLY 61 Ca -0.02 -1.17 -0.30 0.00 0.00 0.00 0.00 44.72 43.23 2kh2 s GLY 61 CO -0.09 -1.21 1.23 1.08 0.00 0.00 0.00 173.10 174.11 2kh2 s LEU 62 N -2.14 4.41 0.29 0.66 1.02 0.09 -1.14 118.68 121.87 2kh2 s LEU 62 Ca 0.04 2.17 -0.29 0.00 0.02 0.00 0.00 54.13 56.06 2kh2 s LEU 62 Cb -0.07 -3.59 -0.13 0.00 0.02 0.00 0.00 46.19 42.42 2kh2 s LEU 62 CO 0.03 -0.46 1.33 1.17 0.02 0.00 0.00 176.35 178.44 2kh2 n LYS 63 N 3.28 2.06 -2.71 1.70 4.81 -0.50 -2.03 118.16 124.76 2kh2 n LYS 63 Ca 0.07 0.73 -0.14 0.00 -0.87 0.00 0.00 58.31 58.10 2kh2 n LYS 63 Cb 0.45 -2.34 -0.00 0.00 0.02 0.00 0.00 35.03 33.16 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 1.26 -2.65 -4.20 1.64 0.28 -1.26 -4.93 120.64 110.78 2kh2 n GLU 64 Ca 0.08 0.49 -0.12 0.00 -0.16 0.00 0.00 57.16 57.45 2kh2 n GLU 64 Cb 0.34 -5.10 -0.10 0.00 1.43 0.00 0.00 31.44 28.01 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 -5.30 1.15 -0.19 3.44 1.02 -0.86 -5.05 119.74 113.96 2kh2 s LYS 65 Ca 0.11 -1.59 0.16 0.00 0.02 0.00 0.00 55.97 54.67 2kh2 s LYS 65 Cb -0.06 0.20 0.60 0.00 -0.52 0.00 0.00 37.83 38.04 2kh2 s LYS 65 CO 0.14 -0.34 1.50 0.27 -0.92 0.00 0.00 175.35 175.99 2kh2 n ASN 66 N -0.24 4.31 -4.62 2.83 6.94 -1.26 -4.67 115.26 118.55 2kh2 n ASN 66 Ca -0.00 -2.96 -0.39 0.00 -0.02 0.00 0.00 54.58 51.20 2kh2 n ASN 66 Cb 0.65 -0.57 -0.08 0.00 -2.36 0.00 0.00 39.78 37.42 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 -2.75 4.05 0.09 -4.53 1.43 -1.26 -2.25 118.68 113.46 2kh2 s LEU 67 Ca 0.45 0.39 0.10 0.00 -1.03 0.00 0.00 54.13 54.03 2kh2 s LEU 67 Cb 0.35 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 2kh2 s LEU 67 CO 0.11 -0.21 -0.26 -0.31 0.23 0.00 0.00 176.35 175.91 2kh2 s TYR 68 N 2.08 2.25 -0.17 0.29 1.51 -0.37 -0.73 117.35 122.19 2kh2 s TYR 68 Ca 0.17 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.55 2kh2 s TYR 68 Cb -0.16 -1.27 -0.02 0.00 -0.11 0.00 0.00 41.96 40.40 2kh2 s TYR 68 CO 0.09 0.24 1.42 -0.51 -1.11 0.00 0.00 175.55 175.69 2kh2 s LEU 69 N -1.69 4.10 -0.08 -1.29 1.43 -0.17 -0.91 118.68 120.07 2kh2 s LEU 69 Ca 0.12 1.72 0.03 0.00 -1.03 0.00 0.00 54.13 54.97 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 -0.95 -0.18 -0.55 0.23 0.00 0.00 176.35 174.94 2kh2 s SER 70 N 2.86 3.65 -0.28 2.29 0.15 0.84 -4.42 113.70 118.80 2kh2 s SER 70 Ca 0.62 -0.37 -0.05 0.00 0.70 0.00 0.00 55.95 56.86 2kh2 s SER 70 Cb -0.24 -1.15 0.02 0.00 -1.71 0.00 0.00 66.02 62.94 2kh2 s SER 70 CO 0.22 0.24 0.02 0.00 1.20 0.00 0.00 173.24 174.92 2kh2 s VAL 72 N 1.43 0.00 -0.29 0.00 -7.23 -0.65 -4.65 120.40 109.00 2kh2 s VAL 72 Ca 0.01 -1.90 -0.19 0.00 -1.81 0.00 0.00 61.98 58.10 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 -0.00 0.00 0.55 -0.76 -0.31 0.00 0.00 175.10 174.58 2kh2 s LEU 73 N -3.25 4.13 -0.25 1.32 1.43 -1.26 0.25 118.68 121.05 2kh2 s LEU 73 Ca 0.37 0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.88 2kh2 s LEU 73 Cb 0.03 -2.69 0.05 0.00 0.03 0.00 0.00 46.19 43.62 2kh2 s LEU 73 CO 0.20 -0.38 -0.11 -0.54 0.23 0.00 0.00 176.35 175.75 2kh2 s LYS 74 N 2.41 2.38 -1.11 1.70 1.02 0.11 -4.71 119.74 121.55 2kh2 s LYS 74 Ca 0.22 -1.26 -0.04 0.00 0.02 0.00 0.00 55.97 54.91 2kh2 s LYS 74 Cb -0.15 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.23 2kh2 s LYS 74 CO 0.11 -0.52 0.94 -3.47 -0.92 0.00 0.00 175.35 171.49 2kh2 n ASP 75 N 4.48 -4.94 -2.16 2.83 4.64 -1.26 -2.56 116.55 117.58 2kh2 n ASP 75 Ca -0.15 -0.69 -0.16 0.00 -1.38 0.00 0.00 54.79 52.41 2kh2 n ASP 75 Cb 0.43 -5.13 -0.02 0.00 -1.04 0.00 0.00 41.12 35.36 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 -3.18 -4.58 -3.74 1.67 9.92 -1.26 -4.96 116.55 110.41 2kh2 n ASP 76 Ca -0.15 0.19 -0.14 0.00 -0.53 0.00 0.00 54.79 54.16 2kh2 n ASP 76 Cb 0.64 -3.94 -0.14 0.00 -0.64 0.00 0.00 41.12 37.04 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 -4.57 0.10 -0.07 -1.24 2.47 -1.06 -5.11 119.74 110.26 2kh2 s LYS 77 Ca 0.00 0.39 -0.29 0.00 -1.56 0.00 0.00 55.97 54.51 2kh2 s LYS 77 Cb 0.00 -0.18 -0.07 0.00 -1.46 0.00 0.00 37.83 36.12 2kh2 s LYS 77 CO 0.00 -0.17 1.99 -2.14 0.16 0.00 0.00 175.35 175.19 2kh2 s PRO 78 N 1.21 3.81 0.07 4.03 0.02 -1.26 0.10 135.00 142.98 2kh2 s PRO 78 Ca -0.09 2.32 0.05 0.00 0.02 0.00 0.00 61.00 63.30 2kh2 s PRO 78 Cb -0.12 -4.20 -0.03 0.00 0.02 0.00 0.00 34.50 30.17 2kh2 s PRO 78 CO -0.06 -1.33 -0.14 0.99 -0.33 0.00 0.00 177.00 176.13 2kh2 s THR 79 N 5.66 1.14 0.08 0.99 2.01 0.14 -4.75 115.64 120.90 2kh2 s THR 79 Ca 0.89 -1.31 -0.09 0.00 0.31 0.00 0.00 61.69 61.49 2kh2 s THR 79 Cb -0.37 -1.09 -0.06 0.00 0.01 0.00 0.00 72.50 70.99 2kh2 s THR 79 CO 0.38 -0.21 0.39 -0.22 -0.69 0.00 0.00 174.62 174.26 2kh2 s LEU 80 N -1.73 4.34 0.28 4.42 2.96 -1.26 -1.64 118.68 126.05 2kh2 s LEU 80 Ca -0.02 0.76 -0.15 0.00 -0.22 0.00 0.00 54.13 54.50 2kh2 s LEU 80 Cb -0.10 -2.98 0.01 0.00 0.50 0.00 0.00 46.19 43.63 2kh2 s LEU 80 CO 0.02 0.17 0.59 0.00 -1.32 0.00 0.00 176.35 175.82 2kh2 s GLN 81 N -1.95 1.74 -0.24 1.98 -2.07 0.40 -4.90 119.66 114.62 2kh2 s GLN 81 Ca 0.33 -1.24 -0.07 0.00 -1.82 0.00 0.00 55.36 52.57 2kh2 s GLN 81 Cb -0.14 0.53 -0.03 0.00 -1.09 0.00 0.00 33.01 32.29 2kh2 s GLN 81 CO 0.18 -0.76 0.05 -0.51 -1.32 0.00 0.00 175.29 172.93 2kh2 s LEU 82 N -3.01 3.36 -0.17 2.60 2.01 -1.26 -0.11 118.68 122.10 2kh2 s LEU 82 Ca 0.19 -0.23 -0.04 0.00 0.01 0.00 0.00 54.13 54.06 2kh2 s LEU 82 Cb -0.03 -1.90 -0.02 0.00 0.01 0.00 0.00 46.19 44.25 2kh2 s LEU 82 CO 0.10 -0.03 -0.04 -1.61 1.01 0.00 0.00 176.35 175.78 2kh2 s GLU 83 N 1.56 3.61 -0.64 1.70 2.02 -0.08 -4.91 118.70 121.95 2kh2 s GLU 83 Ca 0.06 -0.54 -0.20 0.00 0.02 0.00 0.00 54.97 54.31 2kh2 s GLU 83 Cb -0.15 -2.93 0.10 0.00 0.10 0.00 0.00 34.13 31.25 2kh2 s GLU 83 CO 0.03 0.15 0.82 -1.54 0.02 0.00 0.00 175.26 174.73 2kh2 s SER 84 N 0.59 6.22 0.53 -0.19 1.04 -1.26 -1.24 113.70 119.39 2kh2 s SER 84 Ca -0.03 -1.35 0.09 0.00 0.48 0.00 0.00 55.95 55.14 2kh2 s SER 84 Cb -0.14 -2.34 0.07 0.00 0.10 0.00 0.00 66.02 63.70 2kh2 s SER 84 CO 0.03 -1.21 0.72 0.68 0.98 0.00 0.00 173.24 174.44 2kh2 s VAL 85 N 3.08 2.35 -0.11 5.02 -7.23 -0.95 -5.03 120.40 117.53 2kh2 s VAL 85 Ca 0.16 -1.02 -0.29 0.00 -1.81 0.00 0.00 61.98 59.02 2kh2 s VAL 85 Cb -0.20 -2.37 -0.07 0.00 0.56 0.00 0.00 36.38 34.30 2kh2 s VAL 85 CO 0.06 0.00 2.12 -0.67 -0.31 0.00 0.00 175.10 176.30 2kh2 n ASP 86 N -2.12 3.63 0.22 4.85 4.64 -1.26 -4.87 116.55 121.63 2kh2 n ASP 86 Ca 0.13 0.51 0.15 0.00 -1.38 0.00 0.00 54.79 54.20 2kh2 n ASP 86 Cb 0.61 -1.54 0.71 0.00 -1.04 0.00 0.00 41.12 39.86 2kh2 n ASP 86 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2kh2 h PRO 87 N 13.09 0.00 0.00 -0.67 0.13 -1.92 -2.08 132.00 140.55 2kh2 h PRO 87 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2kh2 h PRO 87 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2kh2 h PRO 87 CO 0.95 0.00 -1.06 0.36 -0.23 0.00 0.00 178.00 178.03 2kh2 n LYS 88 N -2.61 0.45 0.00 0.86 2.85 -1.26 -3.92 118.16 114.53 2kh2 n LYS 88 Ca -0.00 0.04 0.11 0.00 -1.05 0.00 0.00 58.31 57.40 2kh2 n LYS 88 Cb 0.16 -1.69 0.05 0.00 -0.65 0.00 0.00 35.03 32.90 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 -2.30 2.44 -4.19 -5.58 3.02 -0.82 -4.94 115.26 102.88 2kh2 n ASN 89 Ca 0.01 -1.72 -0.23 0.00 -0.03 0.00 0.00 54.58 52.61 2kh2 n ASN 89 Cb 0.50 0.21 -0.14 0.00 -0.61 0.00 0.00 39.78 39.74 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 -2.05 1.53 0.77 3.10 1.51 -0.95 -4.35 117.35 116.90 2kh2 s TYR 90 Ca 0.22 -0.35 -0.05 0.00 -1.01 0.00 0.00 57.07 55.88 2kh2 s TYR 90 Cb 0.18 -0.92 0.14 0.00 -0.11 0.00 0.00 41.96 41.25 2kh2 s TYR 90 CO 0.39 0.06 1.06 -1.25 -1.11 0.00 0.00 175.55 174.70 2kh2 s PRO 91 N -1.09 1.51 0.16 -1.71 0.04 -1.26 -4.82 135.00 127.83 2kh2 s PRO 91 Ca 0.05 -0.88 -0.11 0.00 0.04 0.00 0.00 61.00 60.11 2kh2 s PRO 91 Cb -0.08 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.25 2kh2 s PRO 91 CO 0.01 -1.63 0.31 -1.59 0.04 0.00 0.00 177.00 174.15 2kh2 s LYS 92 N -5.31 1.14 -0.05 4.56 -2.85 -1.26 -5.08 119.74 110.89 2kh2 s LYS 92 Ca 0.67 -1.07 -0.23 0.00 -1.00 0.00 0.00 55.97 54.34 2kh2 s LYS 92 Cb -0.06 0.40 -0.17 0.00 -2.06 0.00 0.00 37.83 35.94 2kh2 s LYS 92 CO 0.46 -0.43 0.96 -0.22 0.10 0.00 0.00 175.35 176.22 2kh2 h LYS 93 N 2.51 -0.16 -5.02 1.78 3.64 -1.97 -3.37 116.57 113.99 2kh2 h LYS 93 Ca -0.32 0.01 -0.71 0.00 -1.27 0.00 0.00 60.65 58.36 2kh2 h LYS 93 Cb 1.23 0.04 -0.16 0.00 -0.41 0.00 0.00 32.23 32.93 2kh2 h LYS 93 CO 0.48 0.32 1.35 0.21 -2.27 0.00 0.00 179.45 179.54 2kh2 s LYS 94 N -3.55 3.94 0.91 1.90 2.47 -1.26 -1.84 119.74 122.31 2kh2 s LYS 94 Ca -0.14 -2.26 -0.15 0.00 -1.56 0.00 0.00 55.97 51.87 2kh2 s LYS 94 Cb 0.00 -5.11 0.21 0.00 -1.46 0.00 0.00 37.83 31.48 2kh2 s LYS 94 CO 0.53 -1.85 1.23 -1.33 0.16 0.00 0.00 175.35 174.09 2kh2 n MET 95 N 6.36 -1.16 -2.66 4.03 2.81 -1.26 -5.03 117.12 120.21 2kh2 n MET 95 Ca 0.35 -1.97 -0.33 0.00 -1.81 0.00 0.00 57.70 53.94 2kh2 n MET 95 Cb 0.45 -1.25 -0.05 0.00 -0.71 0.00 0.00 33.22 31.66 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 -5.69 4.01 0.56 0.03 8.01 -1.26 -4.94 118.70 119.43 2kh2 s GLU 96 Ca 0.70 1.22 0.25 0.00 0.01 0.00 0.00 54.97 57.15 2kh2 s GLU 96 Cb -0.02 -2.14 1.58 0.00 -4.31 0.00 0.00 34.13 29.24 2kh2 s GLU 96 CO 0.49 -0.23 2.16 -0.22 0.01 0.00 0.00 175.26 177.46 2kh2 h LYS 97 N 1.68 0.00 -0.00 1.61 1.63 -1.96 0.13 116.57 119.66 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 1.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 2kh2 h LYS 97 CO 0.60 0.00 -0.06 2.89 -3.45 0.00 0.00 179.45 179.43 2kh2 n ARG 98 N -4.08 0.37 -0.03 1.90 1.85 -1.26 -3.25 116.66 112.17 2kh2 n ARG 98 Ca -0.00 -0.06 0.04 0.00 -1.00 0.00 0.00 57.85 56.83 2kh2 n ARG 98 Cb 0.21 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 30.17 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 -1.26 0.07 -3.65 2.89 3.72 0.01 -0.89 117.46 118.34 2kh2 n PHE 99 Ca 0.12 -0.11 -0.37 0.00 -0.05 0.00 0.00 57.45 57.04 2kh2 n PHE 99 Cb 0.28 -0.01 -0.11 0.00 -0.94 0.00 0.00 39.48 38.70 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 -0.71 5.20 0.14 -4.37 1.01 -1.05 -4.02 120.40 116.59 2kh2 s VAL 100 Ca 0.10 0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.30 2kh2 s VAL 100 Cb 0.07 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2kh2 s VAL 100 CO 0.10 0.30 -0.16 -0.36 0.00 0.00 0.00 175.10 174.97 2kh2 s PHE 101 N 1.45 2.54 -0.39 5.22 0.08 0.17 -2.38 117.98 124.68 2kh2 s PHE 101 Ca 0.07 -0.26 -0.09 0.00 0.12 0.00 0.00 56.93 56.77 2kh2 s PHE 101 Cb -0.15 -1.32 0.06 0.00 -0.57 0.00 0.00 43.02 41.04 2kh2 s PHE 101 CO 0.08 0.42 0.21 1.21 -0.10 0.00 0.00 175.22 177.04 2kh2 s ASN 102 N -2.33 5.59 -0.55 1.36 3.04 0.21 -0.75 114.94 121.51 2kh2 s ASN 102 Ca 0.20 -1.30 -0.28 0.00 0.04 0.00 0.00 52.86 51.51 2kh2 s ASN 102 Cb -0.10 -1.97 0.03 0.00 -1.54 0.00 0.00 41.25 37.67 2kh2 s ASN 102 CO 0.11 -0.45 1.23 -0.75 -3.04 0.00 0.00 177.10 174.20 2kh2 s LYS 103 N 1.45 3.52 -0.01 0.43 2.20 0.11 -1.12 119.74 126.33 2kh2 s LYS 103 Ca 0.02 0.37 -0.09 0.00 -0.36 0.00 0.00 55.97 55.91 2kh2 s LYS 103 Cb -0.21 -4.01 -0.05 0.00 -1.51 0.00 0.00 37.83 32.05 2kh2 s LYS 103 CO 0.03 -1.66 0.29 0.42 -0.36 0.00 0.00 175.35 174.08 2kh2 s ILE 104 N 5.05 5.25 -0.41 5.43 1.01 0.66 -0.69 121.20 137.51 2kh2 s ILE 104 Ca 0.46 0.38 0.02 0.00 0.00 0.00 0.00 60.65 61.51 2kh2 s ILE 104 Cb -0.08 -3.58 0.15 0.00 0.01 0.00 0.00 42.46 38.96 2kh2 s ILE 104 CO 0.27 0.46 0.27 -1.61 0.00 0.00 0.00 174.94 174.33 2kh2 s GLU 105 N -1.47 0.90 -0.03 2.79 2.02 -1.03 0.14 118.70 122.03 2kh2 s GLU 105 Ca 0.25 -1.81 -0.26 0.00 0.02 0.00 0.00 54.97 53.17 2kh2 s GLU 105 Cb -0.14 -1.65 -0.20 0.00 0.10 0.00 0.00 34.13 32.24 2kh2 s GLU 105 CO 0.13 -1.26 1.23 -0.84 0.02 0.00 0.00 175.26 174.54 2kh2 h ILE 106 N 4.91 1.34 0.00 -1.63 3.07 -1.89 -3.47 117.51 119.84 2kh2 h ILE 106 Ca 0.12 -1.15 0.00 0.00 1.55 0.00 0.00 64.86 65.37 2kh2 h ILE 106 Cb 0.93 2.12 0.00 0.00 -0.27 0.00 0.00 36.82 39.60 2kh2 h ILE 106 CO 0.36 0.29 0.00 -0.46 -1.05 0.00 0.00 178.15 177.30 2kh2 n ASN 107 N -4.86 0.00 -0.00 2.16 0.23 -1.26 -4.99 115.26 106.53 2kh2 n ASN 107 Ca -0.09 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.07 2kh2 n ASN 107 Cb 0.26 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 37.84 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 0.99 -4.66 0.53 5.03 -1.26 -4.94 115.26 110.94 2kh2 n ASN 108 Ca 0.00 -0.99 -0.27 0.00 0.87 0.00 0.00 54.58 54.20 2kh2 n ASN 108 Cb 0.00 1.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.68 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 -3.00 2.41 0.06 3.52 -0.14 -1.26 -4.94 119.74 116.39 2kh2 s LYS 109 Ca 0.08 -1.08 0.08 0.00 -1.36 0.00 0.00 55.97 53.69 2kh2 s LYS 109 Cb 0.16 -2.37 -0.03 0.00 -1.68 0.00 0.00 37.83 33.90 2kh2 s LYS 109 CO 0.87 0.46 -0.22 -0.48 -0.76 0.00 0.00 175.35 175.23 2kh2 s LEU 110 N -2.87 2.46 0.17 3.17 2.34 0.06 -3.72 118.68 120.29 2kh2 s LEU 110 Ca 0.27 -0.52 0.11 0.00 0.06 0.00 0.00 54.13 54.04 2kh2 s LEU 110 Cb -0.10 -1.42 -0.04 0.00 -0.56 0.00 0.00 46.19 44.07 2kh2 s LEU 110 CO 0.18 0.24 -0.22 -1.61 -1.06 0.00 0.00 176.35 173.88 2kh2 s GLU 111 N -1.52 1.58 -0.36 1.48 2.02 0.12 0.08 118.70 122.10 2kh2 s GLU 111 Ca 0.14 -1.42 0.00 0.00 0.02 0.00 0.00 54.97 53.71 2kh2 s GLU 111 Cb -0.10 -1.92 0.10 0.00 0.10 0.00 0.00 34.13 32.30 2kh2 s GLU 111 CO 0.05 0.42 0.10 -0.06 0.02 0.00 0.00 175.26 175.79 2kh2 s PHE 112 N -1.48 3.60 0.18 1.61 0.08 -1.26 -0.24 117.98 120.46 2kh2 s PHE 112 Ca 0.19 -2.57 -0.08 0.00 0.12 0.00 0.00 56.93 54.59 2kh2 s PHE 112 Cb -0.09 -2.90 -0.06 0.00 -0.57 0.00 0.00 43.02 39.40 2kh2 s PHE 112 CO 0.10 -0.94 0.46 -2.00 -0.10 0.00 0.00 175.22 172.74 2kh2 s GLU 113 N 1.06 3.73 -0.08 0.44 2.12 -0.27 -1.10 118.70 124.59 2kh2 s GLU 113 Ca 0.07 0.12 -0.23 0.00 0.36 0.00 0.00 54.97 55.29 2kh2 s GLU 113 Cb -0.21 -2.77 -0.03 0.00 0.26 0.00 0.00 34.13 31.37 2kh2 s GLU 113 CO -0.05 0.41 0.68 0.45 -0.54 0.00 0.00 175.26 176.21 2kh2 s SER 114 N -2.31 6.94 0.22 -1.70 0.15 0.11 0.68 113.70 117.79 2kh2 s SER 114 Ca 0.43 1.13 -0.04 0.00 0.70 0.00 0.00 55.95 58.17 2kh2 s SER 114 Cb -0.12 -2.40 0.20 0.00 -1.71 0.00 0.00 66.02 61.99 2kh2 s SER 114 CO 0.22 -0.13 1.64 0.00 1.20 0.00 0.00 173.24 176.16 2kh2 h ALA 115 N 6.84 0.89 -0.09 5.45 0.00 -1.73 -2.90 119.26 127.71 2kh2 h ALA 115 Ca -0.40 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.00 2kh2 h ALA 115 Cb 1.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2kh2 h ALA 115 CO 0.76 0.63 -0.56 0.37 0.00 0.00 0.00 179.25 180.45 2kh2 h GLN 116 N 0.66 0.27 -3.58 0.00 4.15 -1.77 -3.39 115.11 111.45 2kh2 h GLN 116 Ca 0.09 -0.17 -0.63 0.00 0.77 0.00 0.00 58.65 58.71 2kh2 h GLN 116 Cb 0.73 0.02 -0.40 0.00 0.21 0.00 0.00 27.48 28.03 2kh2 h GLN 116 CO 0.06 0.76 -0.71 -0.06 -1.93 0.00 0.00 178.83 176.95 2kh2 s PHE 117 N -3.86 2.67 0.40 3.99 0.08 -1.10 -5.11 117.98 115.05 2kh2 s PHE 117 Ca -0.04 -2.65 -0.27 0.00 0.12 0.00 0.00 56.93 54.09 2kh2 s PHE 117 Cb 0.12 -2.36 -0.10 0.00 -0.57 0.00 0.00 43.02 40.12 2kh2 s PHE 117 CO 0.80 -0.83 1.40 -2.14 -0.10 0.00 0.00 175.22 174.35 2kh2 s PRO 118 N 0.52 4.00 0.00 0.24 0.02 -1.21 -2.38 135.00 136.20 2kh2 s PRO 118 Ca 0.15 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.54 2kh2 s PRO 118 Cb -0.22 -2.85 0.00 0.00 0.02 0.00 0.00 34.50 31.45 2kh2 s PRO 118 CO -0.06 -0.54 0.00 0.09 -0.33 0.00 0.00 177.00 176.16 2kh2 n ASN 119 N 0.26 -1.31 -4.39 2.53 5.03 -1.26 -4.99 115.26 111.12 2kh2 n ASN 119 Ca 0.03 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.12 2kh2 n ASN 119 Cb 0.41 -0.59 -0.13 0.00 -1.02 0.00 0.00 39.78 38.45 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 -2.91 3.05 0.23 3.10 0.52 -1.00 -4.52 118.94 117.41 2kh2 s TRP 120 Ca 0.00 -0.63 0.11 0.00 0.02 0.00 0.00 56.10 55.60 2kh2 s TRP 120 Cb 0.00 -2.19 -0.05 0.00 -1.15 0.00 0.00 33.47 30.08 2kh2 s TRP 120 CO 0.00 -0.44 -0.21 0.71 0.02 0.00 0.00 176.95 177.03 2kh2 s TYR 121 N 1.56 2.33 -0.22 -1.98 2.02 -0.03 -0.72 117.35 120.31 2kh2 s TYR 121 Ca 0.06 -0.34 -0.29 0.00 -0.37 0.00 0.00 57.07 56.13 2kh2 s TYR 121 Cb -0.15 -1.10 -0.03 0.00 -0.40 0.00 0.00 41.96 40.29 2kh2 s TYR 121 CO 0.01 0.58 1.66 0.42 -1.57 0.00 0.00 175.55 176.66 2kh2 s ILE 122 N -1.99 3.63 0.27 2.71 1.01 -0.26 -0.36 121.20 126.21 2kh2 s ILE 122 Ca 0.25 0.71 0.11 0.00 0.00 0.00 0.00 60.65 61.72 2kh2 s ILE 122 Cb -0.07 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 2kh2 s ILE 122 CO 0.12 -0.29 -0.16 -0.44 0.00 0.00 0.00 174.94 174.17 2kh2 s SER 123 N 4.52 3.78 0.06 3.58 0.01 0.52 -4.50 113.70 121.67 2kh2 s SER 123 Ca 0.74 -0.95 0.02 0.00 1.31 0.00 0.00 55.95 57.07 2kh2 s SER 123 Cb -0.25 -0.41 -0.03 0.00 0.21 0.00 0.00 66.02 65.54 2kh2 s SER 123 CO 0.30 0.04 -0.08 0.42 0.41 0.00 0.00 173.24 174.33 2kh2 s THR 124 N -2.45 0.64 0.66 1.44 -4.23 -0.55 -2.13 115.64 109.02 2kh2 s THR 124 Ca 0.30 -1.33 -0.03 0.00 -1.18 0.00 0.00 61.69 59.45 2kh2 s THR 124 Cb -0.05 -0.94 0.07 0.00 1.34 0.00 0.00 72.50 72.91 2kh2 s THR 124 CO 0.16 -0.50 0.94 -0.44 -0.54 0.00 0.00 174.62 174.24 2kh2 s SER 125 N -1.99 4.84 0.12 3.99 0.01 -1.26 -0.08 113.70 119.33 2kh2 s SER 125 Ca -0.03 0.16 -0.02 0.00 1.31 0.00 0.00 55.95 57.37 2kh2 s SER 125 Cb -0.06 -0.83 -0.15 0.00 0.21 0.00 0.00 66.02 65.20 2kh2 s SER 125 CO -0.01 -1.52 1.26 1.56 0.41 0.00 0.00 173.24 174.95 2kh2 h GLN 126 N -0.39 0.27 -7.01 12.44 1.08 -1.96 -3.45 115.11 116.09 2kh2 h GLN 126 Ca -0.42 -0.35 -0.54 0.00 -1.45 0.00 0.00 58.65 55.89 2kh2 h GLN 126 Cb 1.30 0.12 0.11 0.00 -0.05 0.00 0.00 27.48 28.95 2kh2 h GLN 126 CO 0.53 1.10 0.61 0.00 -0.95 0.00 0.00 178.83 180.12 2kh2 s ALA 127 N -2.99 3.03 0.46 3.87 0.00 -1.26 -4.99 121.76 119.89 2kh2 s ALA 127 Ca -0.04 1.29 -0.21 0.00 0.00 0.00 0.00 51.96 53.00 2kh2 s ALA 127 Cb 0.09 -3.53 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 2kh2 s ALA 127 CO 0.86 -1.11 1.01 -2.00 0.00 0.00 0.00 175.76 174.52 2kh2 s GLU 128 N -2.63 3.96 -0.96 0.00 2.56 -1.26 -3.70 118.70 116.67 2kh2 s GLU 128 Ca 0.65 1.31 0.00 0.00 0.00 0.00 0.00 54.97 56.93 2kh2 s GLU 128 Cb -0.39 -2.17 0.00 0.00 2.00 0.00 0.00 34.13 33.57 2kh2 s GLU 128 CO 0.48 -0.29 0.00 -1.71 -0.56 0.00 0.00 175.26 173.19 2kh2 n ASN 129 N -0.76 -3.66 -4.85 -1.70 5.15 -1.17 -5.01 115.26 103.25 2kh2 n ASN 129 Ca 0.08 0.01 -0.37 0.00 -0.60 0.00 0.00 54.58 53.69 2kh2 n ASN 129 Cb 0.53 -2.85 -0.06 0.00 -0.53 0.00 0.00 39.78 36.86 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 -4.46 3.68 1.02 1.20 -1.94 -1.20 -4.86 119.30 112.74 2kh2 s MET 130 Ca 0.00 0.10 -0.15 0.00 -1.71 0.00 0.00 55.69 53.94 2kh2 s MET 130 Cb 0.00 -3.22 0.20 0.00 2.01 0.00 0.00 34.83 33.82 2kh2 s MET 130 CO 0.00 0.71 1.14 -1.25 -0.01 0.00 0.00 175.02 175.62 2kh2 s PRO 131 N -0.96 0.28 -0.13 2.03 0.04 -1.26 -0.27 135.00 134.72 2kh2 s PRO 131 Ca 0.19 0.15 -0.12 0.00 0.04 0.00 0.00 61.00 61.26 2kh2 s PRO 131 Cb -0.14 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 2kh2 s PRO 131 CO 0.08 -2.75 0.25 0.08 0.04 0.00 0.00 177.00 174.69 2kh2 s VAL 132 N -3.22 5.33 0.28 -0.36 1.01 -0.98 -4.55 120.40 117.91 2kh2 s VAL 132 Ca 0.67 0.45 0.02 0.00 0.00 0.00 0.00 61.98 63.13 2kh2 s VAL 132 Cb -0.13 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 2kh2 s VAL 132 CO 0.55 0.49 0.26 0.72 0.00 0.00 0.00 175.10 177.11 2kh2 s PHE 133 N -0.18 1.41 -0.24 5.22 -0.12 -0.91 -4.91 117.98 118.26 2kh2 s PHE 133 Ca 0.16 -1.48 -0.13 0.00 -0.05 0.00 0.00 56.93 55.42 2kh2 s PHE 133 Cb -0.13 -0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 41.67 2kh2 s PHE 133 CO 0.04 -0.83 0.29 -1.17 -0.05 0.00 0.00 175.22 173.51 2kh2 s LEU 134 N -3.27 4.09 -0.02 -1.99 2.96 -1.26 -0.35 118.68 118.84 2kh2 s LEU 134 Ca 0.38 0.26 0.05 0.00 -0.22 0.00 0.00 54.13 54.61 2kh2 s LEU 134 Cb 0.04 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 2kh2 s LEU 134 CO 0.21 -0.06 -0.18 -0.83 -1.32 0.00 0.00 176.35 174.16 2kh2 s GLY 135 N 1.31 1.47 0.00 7.98 0.00 0.51 -4.88 107.32 113.71 2kh2 s GLY 135 Ca 0.13 -1.06 0.22 0.00 0.00 0.00 0.00 44.72 44.01 2kh2 s GLY 135 CO 0.08 -0.88 1.28 0.61 0.00 0.00 0.00 173.10 174.19 2kh2 n GLY 136 N 2.18 1.22 3.24 0.20 0.00 -1.26 -0.85 105.19 109.92 2kh2 n GLY 136 Ca -0.17 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 2kh2 n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kh2 s THR 137 N -1.66 4.15 -0.04 2.61 -4.23 -1.26 -4.87 115.64 110.34 2kh2 s THR 137 Ca 0.31 -1.59 -0.14 0.00 -1.18 0.00 0.00 61.69 59.09 2kh2 s THR 137 Cb 0.20 -3.63 -0.05 0.00 1.34 0.00 0.00 72.50 70.35 2kh2 s THR 137 CO 0.29 -0.62 0.37 -0.75 -0.54 0.00 0.00 174.62 173.37 2kh2 s LYS 138 N 1.38 3.96 -0.06 3.99 2.20 -1.26 -4.06 119.74 125.89 2kh2 s LYS 138 Ca 0.04 0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 2kh2 s LYS 138 Cb -0.24 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 2kh2 s LYS 138 CO 0.01 0.59 0.00 0.41 -0.36 0.00 0.00 175.35 175.99 2kh2 n GLY 139 N 2.19 0.43 0.00 5.54 0.00 -1.26 -5.03 105.19 107.06 2kh2 n GLY 139 Ca -0.14 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.93 1.71 0.12 -0.02 0.00 -1.26 -5.00 105.19 97.81 2kh2 n GLY 140 Ca -0.01 -1.72 -0.17 0.00 0.00 0.00 0.00 46.02 44.12 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 0.32 -7.40 1.61 7.50 -1.96 -3.46 115.11 111.72 2kh2 h GLN 141 Ca 0.00 -0.52 -0.46 0.00 0.50 0.00 0.00 58.65 58.17 2kh2 h GLN 141 Cb 0.00 0.19 0.15 0.00 0.05 0.00 0.00 27.48 27.87 2kh2 h GLN 141 CO 0.00 1.24 0.24 -0.51 -1.50 0.00 0.00 178.83 178.30 2kh2 s ASP 142 N -7.20 3.13 -0.19 1.46 1.01 -1.26 -4.62 116.67 109.00 2kh2 s ASP 142 Ca -0.05 1.15 -0.04 0.00 0.71 0.00 0.00 52.55 54.32 2kh2 s ASP 142 Cb 0.07 -1.80 -0.02 0.00 1.01 0.00 0.00 42.92 42.18 2kh2 s ASP 142 CO 0.89 -2.81 -0.02 -0.63 0.21 0.00 0.00 175.17 172.80 2kh2 s ILE 143 N -3.08 3.81 -0.30 0.77 1.01 0.88 -4.76 121.20 119.54 2kh2 s ILE 143 Ca 0.64 -0.37 0.09 0.00 0.00 0.00 0.00 60.65 61.02 2kh2 s ILE 143 Cb -0.17 -2.70 -0.12 0.00 0.01 0.00 0.00 42.46 39.48 2kh2 s ILE 143 CO 0.56 0.45 0.33 0.35 0.00 0.00 0.00 174.94 176.63 2kh2 n THR 144 N 4.06 0.00 -3.53 2.92 -2.24 -1.26 -1.48 114.28 112.76 2kh2 n THR 144 Ca -0.17 -0.26 -0.37 0.00 -2.27 0.00 0.00 64.05 60.98 2kh2 n THR 144 Cb 0.52 0.76 -0.06 0.00 -2.10 0.00 0.00 70.33 69.45 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 -2.28 6.75 0.30 3.42 -4.77 -1.26 -4.21 116.67 114.62 2kh2 s ASP 145 Ca 0.01 0.91 0.06 0.00 -3.30 0.00 0.00 52.55 50.23 2kh2 s ASP 145 Cb 0.07 -2.23 -0.02 0.00 -1.09 0.00 0.00 42.92 39.65 2kh2 s ASP 145 CO 0.39 0.27 0.27 0.49 0.70 0.00 0.00 175.17 177.29 2kh2 n PHE 146 N 1.51 -0.78 -4.35 2.11 3.72 0.11 -3.97 117.46 115.81 2kh2 n PHE 146 Ca -0.12 -2.50 -0.19 0.00 -0.05 0.00 0.00 57.45 54.59 2kh2 n PHE 146 Cb 0.52 0.29 -0.10 0.00 -0.94 0.00 0.00 39.48 39.25 2kh2 n PHE 146 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2kh2 s THR 147 N -3.18 1.69 -0.36 4.37 -4.23 -0.14 -0.76 115.64 113.04 2kh2 s THR 147 Ca 0.35 -2.19 -0.04 0.00 -1.18 0.00 0.00 61.69 58.63 2kh2 s THR 147 Cb 0.02 -2.09 0.07 0.00 1.34 0.00 0.00 72.50 71.83 2kh2 s THR 147 CO 0.25 -0.56 0.12 -0.32 -0.54 0.00 0.00 174.62 173.57 2kh2 s MET 148 N -3.66 2.36 -0.39 3.99 1.75 -1.26 -3.58 119.30 118.51 2kh2 s MET 148 Ca 0.23 -1.44 -0.07 0.00 -1.25 0.00 0.00 55.69 53.15 2kh2 s MET 148 Cb 0.00 -3.45 0.07 0.00 2.84 0.00 0.00 34.83 34.29 2kh2 s MET 148 CO 0.07 -0.81 0.20 -0.65 -0.65 0.00 0.00 175.02 173.18 2kh2 s GLN 149 N 1.27 2.53 0.11 4.11 1.11 -0.13 -4.93 119.66 123.73 2kh2 s GLN 149 Ca 0.01 -1.41 -0.31 0.00 0.01 0.00 0.00 55.36 53.66 2kh2 s GLN 149 Cb -0.21 -3.64 -0.08 0.00 -1.01 0.00 0.00 33.01 28.06 2kh2 s GLN 149 CO -0.01 -0.87 1.51 -0.06 0.01 0.00 0.00 175.29 175.87 2kh2 s PHE 150 N 1.38 2.97 0.46 0.91 0.08 -1.26 -0.23 117.98 122.28 2kh2 s PHE 150 Ca 0.02 0.69 0.06 0.00 0.12 0.00 0.00 56.93 57.82 2kh2 s PHE 150 Cb -0.22 -3.83 -0.02 0.00 -0.57 0.00 0.00 43.02 38.38 2kh2 s PHE 150 CO 0.01 -3.07 0.24 0.14 -0.10 0.00 0.00 175.22 172.44 2kh2 s VAL 151 N 1.58 2.04 -0.97 -0.44 -7.23 -1.18 -4.93 120.40 109.27 2kh2 s VAL 151 Ca 0.68 -1.64 -0.16 0.00 -1.81 0.00 0.00 61.98 59.06 2kh2 s VAL 151 Cb -0.39 -2.68 0.18 0.00 0.56 0.00 0.00 36.38 34.04 2kh2 s VAL 151 CO 0.31 0.00 1.08 -0.44 -0.31 0.00 0.00 175.10 175.74 2kh2 s SER 152 N -4.02 6.82 0.00 4.85 0.01 -1.26 -4.81 113.70 115.29 2kh2 s SER 152 Ca 0.36 -2.56 0.00 0.00 1.31 0.00 0.00 55.95 55.06 2kh2 s SER 152 Cb 0.01 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.92 2kh2 s SER 152 CO 0.21 -0.79 0.00 -1.20 0.41 0.00 0.00 173.24 171.86