#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 -1.19 -6.14 0.00 0.11 -2.06 -3.43 132.00 119.29 2kh2 h PRO 2 Ca 0.00 0.08 -0.68 0.00 0.11 0.00 0.00 66.00 65.51 2kh2 h PRO 2 Cb 0.00 0.27 -0.21 0.00 0.11 0.00 0.00 31.00 31.17 2kh2 h PRO 2 CO 0.00 -0.79 -0.72 0.54 -0.21 0.00 0.00 178.00 176.81 2kh2 s VAL 3 N -5.79 3.44 0.20 3.15 0.11 -1.26 -5.11 120.40 115.14 2kh2 s VAL 3 Ca -0.18 -0.57 -0.18 0.00 -2.93 0.00 0.00 61.98 58.11 2kh2 s VAL 3 Cb 0.02 -2.39 -0.08 0.00 -1.53 0.00 0.00 36.38 32.40 2kh2 s VAL 3 CO 0.57 0.59 0.68 -0.13 -3.33 0.00 0.00 175.10 173.47 2kh2 s ARG 4 N -0.68 4.18 0.14 1.54 0.52 -1.26 -4.98 118.95 118.40 2kh2 s ARG 4 Ca 0.10 0.77 -0.19 0.00 -0.52 0.00 0.00 55.73 55.89 2kh2 s ARG 4 Cb -0.11 -2.88 0.05 0.00 0.52 0.00 0.00 34.95 32.52 2kh2 s ARG 4 CO 0.01 0.41 0.49 0.45 0.02 0.00 0.00 175.30 176.68 2kh2 s SER 5 N -1.68 -0.37 0.29 0.23 0.15 -1.26 -1.84 113.70 109.22 2kh2 s SER 5 Ca 0.42 -0.19 -0.19 0.00 0.70 0.00 0.00 55.95 56.68 2kh2 s SER 5 Cb -0.16 0.53 0.02 0.00 -1.71 0.00 0.00 66.02 64.70 2kh2 s SER 5 CO 0.20 -0.91 0.70 -1.48 1.20 0.00 0.00 173.24 172.95 2kh2 s LEU 6 N -2.78 -0.15 0.03 3.45 0.05 -1.11 -4.98 118.68 113.18 2kh2 s LEU 6 Ca 0.02 -0.72 0.07 0.00 0.05 0.00 0.00 54.13 53.56 2kh2 s LEU 6 Cb 0.01 2.61 -0.03 0.00 -2.05 0.00 0.00 46.19 46.73 2kh2 s LEU 6 CO -0.12 -1.36 -0.20 0.20 -0.55 0.00 0.00 176.35 174.32 2kh2 s ASN 7 N -2.95 3.65 0.18 1.48 0.01 -1.24 -0.44 114.94 115.63 2kh2 s ASN 7 Ca 0.13 -0.43 -0.17 0.00 -0.71 0.00 0.00 52.86 51.68 2kh2 s ASN 7 Cb -0.05 -0.56 0.03 0.00 0.41 0.00 0.00 41.25 41.08 2kh2 s ASN 7 CO 0.08 0.27 0.50 0.00 -1.51 0.00 0.00 177.10 176.44 2kh2 s THR 9 N -3.86 4.03 -0.17 0.00 -4.23 -0.12 -1.03 115.64 110.27 2kh2 s THR 9 Ca 0.08 -0.53 -0.03 0.00 -1.18 0.00 0.00 61.69 60.02 2kh2 s THR 9 Cb -0.00 -2.75 -0.02 0.00 1.34 0.00 0.00 72.50 71.07 2kh2 s THR 9 CO -0.05 0.46 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.68 2kh2 s LEU 10 N -1.27 3.05 0.00 4.79 1.43 -1.26 -2.35 118.68 123.06 2kh2 s LEU 10 Ca 0.17 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 2kh2 s LEU 10 Cb -0.11 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 2kh2 s LEU 10 CO 0.07 0.11 -0.09 -0.13 0.23 0.00 0.00 176.35 176.54 2kh2 s ARG 11 N 0.73 0.67 0.89 1.70 0.52 -1.23 -3.36 118.95 118.88 2kh2 s ARG 11 Ca -0.02 -0.36 -0.12 0.00 -0.52 0.00 0.00 55.73 54.70 2kh2 s ARG 11 Cb -0.15 -0.64 0.17 0.00 0.52 0.00 0.00 34.95 34.86 2kh2 s ARG 11 CO 0.02 0.17 1.23 0.16 0.02 0.00 0.00 175.30 176.90 2kh2 s ASP 12 N -0.37 3.56 0.00 0.23 -4.77 -0.77 -0.28 116.67 114.26 2kh2 s ASP 12 Ca 0.02 0.19 0.11 0.00 -3.30 0.00 0.00 52.55 49.58 2kh2 s ASP 12 Cb -0.04 -0.37 0.50 0.00 -1.09 0.00 0.00 42.92 41.92 2kh2 s ASP 12 CO -0.00 -2.44 1.36 -1.54 0.70 0.00 0.00 175.17 173.25 2kh2 n SER 13 N -3.50 0.00 -0.97 2.11 3.41 -1.24 -1.27 113.62 112.15 2kh2 n SER 13 Ca 0.14 0.45 0.11 0.00 -0.26 0.00 0.00 58.87 59.32 2kh2 n SER 13 Cb 0.60 -0.47 0.25 0.00 -0.26 0.00 0.00 64.21 64.33 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 -1.47 2.28 -1.93 4.33 1.13 -1.26 -4.93 117.38 115.52 2kh2 n GLN 14 Ca 0.03 -1.92 -0.12 0.00 -1.94 0.00 0.00 57.00 53.06 2kh2 n GLN 14 Cb 0.13 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 28.98 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 1.15 -0.89 -3.39 -1.09 1.13 -0.40 -4.94 117.38 108.94 2kh2 n GLN 15 Ca 0.18 0.68 -0.38 0.00 -1.94 0.00 0.00 57.00 55.54 2kh2 n GLN 15 Cb 0.53 -4.77 -0.06 0.00 0.11 0.00 0.00 30.24 26.04 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 -4.05 4.15 0.14 -1.09 1.02 -1.26 -4.04 119.74 114.62 2kh2 s LYS 16 Ca 0.00 0.46 0.04 0.00 0.02 0.00 0.00 55.97 56.49 2kh2 s LYS 16 Cb 0.00 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 2kh2 s LYS 16 CO 0.00 0.44 0.14 -1.12 -0.92 0.00 0.00 175.35 173.89 2kh2 s SER 17 N -0.29 5.61 -0.14 2.83 0.01 0.75 -1.85 113.70 120.62 2kh2 s SER 17 Ca 0.25 -0.07 -0.27 0.00 1.31 0.00 0.00 55.95 57.17 2kh2 s SER 17 Cb -0.16 -1.50 -0.01 0.00 0.21 0.00 0.00 66.02 64.55 2kh2 s SER 17 CO 0.12 0.09 0.91 -0.76 0.41 0.00 0.00 173.24 174.02 2kh2 s LEU 18 N -2.95 4.20 0.09 2.44 1.43 -1.21 -1.78 118.68 120.91 2kh2 s LEU 18 Ca 0.31 1.34 0.08 0.00 -1.03 0.00 0.00 54.13 54.83 2kh2 s LEU 18 Cb -0.11 -3.38 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 2kh2 s LEU 18 CO 0.24 -0.43 -0.21 0.68 0.23 0.00 0.00 176.35 176.86 2kh2 s VAL 19 N 2.11 1.68 -0.31 -1.59 -7.23 0.10 -2.26 120.40 112.90 2kh2 s VAL 19 Ca 0.43 -1.47 -0.29 0.00 -1.81 0.00 0.00 61.98 58.84 2kh2 s VAL 19 Cb -0.17 -1.52 0.01 0.00 0.56 0.00 0.00 36.38 35.26 2kh2 s VAL 19 CO 0.14 -0.01 1.16 -0.04 -0.31 0.00 0.00 175.10 176.04 2kh2 s MET 20 N -1.76 4.00 0.00 4.82 -1.94 -1.26 -0.20 119.30 122.96 2kh2 s MET 20 Ca 0.06 1.13 0.00 0.00 -1.71 0.00 0.00 55.69 55.17 2kh2 s MET 20 Cb -0.10 -3.80 0.00 0.00 2.01 0.00 0.00 34.83 32.95 2kh2 s MET 20 CO 0.04 -0.99 0.10 0.45 -0.01 0.00 0.00 175.02 174.61 2kh2 n SER 21 N 7.17 0.00 -2.98 3.03 2.88 0.75 -4.90 113.62 119.57 2kh2 n SER 21 Ca 0.13 0.16 -0.09 0.00 -1.33 0.00 0.00 58.87 57.74 2kh2 n SER 21 Cb 0.47 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 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 1.88 2.80 0.33 0.46 0.00 -1.16 -4.93 105.19 104.56 2kh2 n GLY 22 Ca 0.00 -2.21 0.15 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.30 1.61 0.13 -2.04 -2.72 132.00 128.67 2kh2 h PRO 23 Ca -0.12 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.77 2kh2 h PRO 23 Cb 0.44 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.23 2kh2 h PRO 23 CO 0.18 0.00 -0.93 0.66 -0.23 0.00 0.00 178.00 177.68 2kh2 n TYR 24 N -4.26 1.00 -3.93 1.56 4.01 -1.26 -5.07 117.16 109.22 2kh2 n TYR 24 Ca 0.03 -1.59 -0.11 0.00 -0.16 0.00 0.00 57.90 56.07 2kh2 n TYR 24 Cb 0.35 -0.23 -0.13 0.00 -0.31 0.00 0.00 39.34 39.01 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 -2.60 0.14 -0.01 -0.72 2.12 -1.03 -4.50 118.70 112.10 2kh2 s GLU 25 Ca 0.36 -0.23 0.06 0.00 0.36 0.00 0.00 54.97 55.52 2kh2 s GLU 25 Cb 0.37 0.00 -0.01 0.00 0.26 0.00 0.00 34.13 34.75 2kh2 s GLU 25 CO -0.07 -0.01 -0.18 -0.51 -0.54 0.00 0.00 175.26 173.95 2kh2 s LEU 26 N -0.52 2.04 0.19 2.70 1.43 -1.26 -0.18 118.68 123.08 2kh2 s LEU 26 Ca -0.05 -0.33 0.06 0.00 -1.03 0.00 0.00 54.13 52.78 2kh2 s LEU 26 Cb -0.04 -0.94 -0.05 0.00 0.03 0.00 0.00 46.19 45.20 2kh2 s LEU 26 CO -0.00 0.22 -0.11 -0.54 0.23 0.00 0.00 176.35 176.15 2kh2 s LYS 27 N -0.43 1.26 -0.09 1.70 1.02 0.72 -1.91 119.74 122.00 2kh2 s LYS 27 Ca 0.07 -1.57 0.04 0.00 0.02 0.00 0.00 55.97 54.53 2kh2 s LYS 27 Cb -0.07 -0.91 0.00 0.00 -0.52 0.00 0.00 37.83 36.33 2kh2 s LYS 27 CO -0.01 0.11 -0.22 0.00 -0.92 0.00 0.00 175.35 174.32 2kh2 s ALA 28 N -3.13 2.01 0.13 5.17 0.00 0.47 0.03 121.76 126.44 2kh2 s ALA 28 Ca 0.22 -0.88 -0.19 0.00 0.00 0.00 0.00 51.96 51.10 2kh2 s ALA 28 Cb 0.01 -0.77 0.05 0.00 0.00 0.00 0.00 23.12 22.42 2kh2 s ALA 28 CO 0.05 0.26 0.49 -0.48 0.00 0.00 0.00 175.76 176.08 2kh2 s LEU 29 N 0.38 -0.02 0.04 0.00 0.05 -0.73 -2.73 118.68 115.68 2kh2 s LEU 29 Ca -0.18 -0.13 -0.30 0.00 0.05 0.00 0.00 54.13 53.57 2kh2 s LEU 29 Cb -0.18 2.15 -0.09 0.00 -2.05 0.00 0.00 46.19 46.03 2kh2 s LEU 29 CO 0.08 -0.88 1.94 -1.00 -0.55 0.00 0.00 176.35 175.94 2kh2 s HIS 30 N -3.59 1.41 -0.44 3.48 3.76 -1.26 -0.18 115.29 118.48 2kh2 s HIS 30 Ca 0.01 -0.38 0.03 0.00 -0.15 0.00 0.00 55.06 54.57 2kh2 s HIS 30 Cb 0.00 -4.22 0.12 0.00 1.11 0.00 0.00 32.58 29.59 2kh2 s HIS 30 CO -0.11 -5.41 0.19 -1.17 -0.85 0.00 0.00 174.74 167.39 2kh2 s LEU 31 N 4.24 3.81 -0.10 0.89 2.96 -1.26 -4.89 118.68 124.33 2kh2 s LEU 31 Ca 0.87 -2.58 -0.03 0.00 -0.22 0.00 0.00 54.13 52.16 2kh2 s LEU 31 Cb -0.43 -1.41 0.05 0.00 0.50 0.00 0.00 46.19 44.90 2kh2 s LEU 31 CO 0.40 -0.29 0.14 -1.58 -1.32 0.00 0.00 176.35 173.70 2kh2 s GLN 32 N 0.34 0.04 0.00 1.98 -0.44 -1.26 -4.77 119.66 115.54 2kh2 s GLN 32 Ca 0.15 0.42 0.00 0.00 -2.50 0.00 0.00 55.36 53.43 2kh2 s GLN 32 Cb -0.23 -0.60 0.00 0.00 -1.64 0.00 0.00 33.01 30.54 2kh2 s GLN 32 CO -0.04 -0.39 0.00 0.41 0.50 0.00 0.00 175.29 175.76 2kh2 n GLY 33 N 5.32 0.48 0.12 2.59 0.00 -1.26 -4.83 105.19 107.60 2kh2 n GLY 33 Ca -0.05 -1.08 0.03 0.00 0.00 0.00 0.00 46.02 44.92 2kh2 n GLY 33 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2kh2 h GLN 34 N 0.00 0.00 -0.55 1.61 5.75 -2.04 -3.27 115.11 116.61 2kh2 h GLN 34 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2kh2 h GLN 34 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 2kh2 h GLN 34 CO 0.00 0.32 0.00 -0.25 -2.65 0.00 0.00 178.83 176.25 2kh2 n ASP 35 N -3.00 2.79 0.28 -0.69 10.43 -1.26 -4.22 116.55 120.88 2kh2 n ASP 35 Ca -0.04 -2.19 0.14 0.00 2.57 0.00 0.00 54.79 55.27 2kh2 n ASP 35 Cb 0.75 -0.40 0.82 0.00 1.84 0.00 0.00 41.12 44.13 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 -1.07 0.00 0.00 177.20 176.10 2kh2 h MET 36 N 2.41 0.00 -0.05 -1.24 4.05 -1.86 -1.82 114.93 116.42 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 0.85 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.65 2kh2 h MET 36 CO 0.10 0.06 0.00 0.39 0.23 0.00 0.00 176.91 177.69 2kh2 n GLU 37 N -3.78 1.25 -0.05 0.39 -0.58 -1.26 -3.21 120.64 113.40 2kh2 n GLU 37 Ca -0.02 -0.37 0.10 0.00 -0.42 0.00 0.00 57.16 56.44 2kh2 n GLU 37 Cb 0.15 -1.35 0.44 0.00 -0.57 0.00 0.00 31.44 30.11 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 -0.43 1.40 -2.16 3.49 6.02 -0.69 -4.89 117.38 120.13 2kh2 n GLN 38 Ca 0.16 -0.61 -0.37 0.00 -0.01 0.00 0.00 57.00 56.17 2kh2 n GLN 38 Cb 0.16 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.08 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 -1.88 3.65 0.11 -1.09 -2.07 -1.20 -4.74 119.66 112.45 2kh2 s GLN 39 Ca 0.29 1.88 -0.15 0.00 -1.82 0.00 0.00 55.36 55.56 2kh2 s GLN 39 Cb 0.15 -2.40 -0.07 0.00 -1.09 0.00 0.00 33.01 29.60 2kh2 s GLN 39 CO 0.23 -0.67 0.54 0.08 -1.32 0.00 0.00 175.29 174.15 2kh2 s VAL 40 N -1.48 4.85 -0.16 3.63 1.01 -0.96 -5.05 120.40 122.24 2kh2 s VAL 40 Ca 0.65 0.92 -0.04 0.00 0.00 0.00 0.00 61.98 63.51 2kh2 s VAL 40 Cb -0.31 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 2kh2 s VAL 40 CO 0.38 0.35 -0.03 0.68 0.00 0.00 0.00 175.10 176.48 2kh2 s VAL 41 N -1.34 3.89 -0.11 2.92 -7.23 -1.26 -4.52 120.40 112.74 2kh2 s VAL 41 Ca 0.34 -0.36 -0.02 0.00 -1.81 0.00 0.00 61.98 60.13 2kh2 s VAL 41 Cb -0.16 -2.71 -0.03 0.00 0.56 0.00 0.00 36.38 34.04 2kh2 s VAL 41 CO 0.19 0.49 -0.02 -0.36 -0.31 0.00 0.00 175.10 175.08 2kh2 s PHE 42 N 0.43 3.09 -0.19 2.82 0.40 -0.19 -2.20 117.98 122.14 2kh2 s PHE 42 Ca -0.04 -0.00 -0.18 0.00 -0.60 0.00 0.00 56.93 56.11 2kh2 s PHE 42 Cb -0.14 -1.85 -0.04 0.00 0.51 0.00 0.00 43.02 41.50 2kh2 s PHE 42 CO 0.03 0.26 0.48 -1.12 0.70 0.00 0.00 175.22 175.57 2kh2 s SER 43 N -0.37 6.55 -0.49 1.36 0.01 -0.06 -1.50 113.70 119.20 2kh2 s SER 43 Ca 0.07 0.66 -0.14 0.00 1.31 0.00 0.00 55.95 57.85 2kh2 s SER 43 Cb -0.12 -2.28 0.11 0.00 0.21 0.00 0.00 66.02 63.93 2kh2 s SER 43 CO 0.02 -0.13 0.41 -0.04 0.41 0.00 0.00 173.24 173.92 2kh2 s MET 44 N 1.40 2.85 0.06 12.44 -1.94 0.42 -3.19 119.30 131.34 2kh2 s MET 44 Ca 0.23 -1.58 -0.15 0.00 -1.71 0.00 0.00 55.69 52.48 2kh2 s MET 44 Cb -0.15 -4.13 -0.06 0.00 2.01 0.00 0.00 34.83 32.50 2kh2 s MET 44 CO 0.09 -1.17 0.48 -1.12 -0.01 0.00 0.00 175.02 173.29 2kh2 s SER 45 N 2.97 6.85 -0.42 3.03 0.01 -1.21 -2.75 113.70 122.18 2kh2 s SER 45 Ca 0.04 1.04 -0.28 0.00 1.31 0.00 0.00 55.95 58.06 2kh2 s SER 45 Cb -0.27 -2.28 0.02 0.00 0.21 0.00 0.00 66.02 63.71 2kh2 s SER 45 CO 0.03 0.24 1.06 -0.36 0.41 0.00 0.00 173.24 174.63 2kh2 s PHE 46 N -1.22 2.95 0.50 2.43 0.40 -0.76 -1.76 117.98 120.52 2kh2 s PHE 46 Ca 0.29 0.79 0.08 0.00 -0.60 0.00 0.00 56.93 57.50 2kh2 s PHE 46 Cb -0.17 -4.08 0.04 0.00 0.51 0.00 0.00 43.02 39.32 2kh2 s PHE 46 CO 0.17 -1.06 0.55 0.14 0.70 0.00 0.00 175.22 175.72 2kh2 s VAL 47 N 4.02 2.26 0.09 -0.44 -7.23 -1.20 -4.68 120.40 113.22 2kh2 s VAL 47 Ca 0.44 -1.22 -0.00 0.00 -1.81 0.00 0.00 61.98 59.39 2kh2 s VAL 47 Cb -0.09 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 2kh2 s VAL 47 CO 0.25 0.00 0.25 -1.58 -0.31 0.00 0.00 175.10 173.71 2kh2 s GLN 48 N -4.38 3.46 0.00 4.82 2.00 -1.09 -4.79 119.66 119.68 2kh2 s GLN 48 Ca 0.50 -0.42 0.00 0.00 -2.00 0.00 0.00 55.36 53.44 2kh2 s GLN 48 Cb -0.05 -3.00 0.00 0.00 0.80 0.00 0.00 33.01 30.76 2kh2 s GLN 48 CO 0.30 0.57 0.00 0.41 -0.50 0.00 0.00 175.29 176.08 2kh2 n GLY 49 N 0.12 -0.46 3.48 2.59 0.00 -1.26 -4.92 105.19 104.75 2kh2 n GLY 49 Ca -0.05 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.82 3.85 -1.17 1.61 2.12 -1.26 -4.94 118.70 118.09 2kh2 s GLU 50 Ca 0.00 -2.05 -0.20 0.00 0.36 0.00 0.00 54.97 53.07 2kh2 s GLU 50 Cb 0.00 -5.11 0.05 0.00 0.26 0.00 0.00 34.13 29.33 2kh2 s GLU 50 CO 0.00 -1.88 1.65 -1.21 -0.54 0.00 0.00 175.26 173.28 2kh2 s GLU 51 N 2.69 3.67 0.47 4.30 2.02 -1.26 -4.13 118.70 126.47 2kh2 s GLU 51 Ca 0.41 -1.54 0.00 0.00 0.02 0.00 0.00 54.97 53.87 2kh2 s GLU 51 Cb -0.02 -5.43 0.00 0.00 0.10 0.00 0.00 34.13 28.78 2kh2 s GLU 51 CO -0.03 -2.41 0.70 -1.12 0.02 0.00 0.00 175.26 172.41 2kh2 s SER 52 N 4.84 5.73 0.46 -0.19 0.01 -0.36 -4.99 113.70 119.19 2kh2 s SER 52 Ca 0.53 0.24 0.25 0.00 1.31 0.00 0.00 55.95 58.28 2kh2 s SER 52 Cb 0.02 -1.42 1.05 0.00 0.21 0.00 0.00 66.02 65.88 2kh2 s SER 52 CO 0.01 -0.79 1.88 -1.13 0.41 0.00 0.00 173.24 173.62 2kh2 h ASN 53 N 0.32 0.00 0.00 2.44 -0.73 -2.01 -3.32 115.58 112.28 2kh2 h ASN 53 Ca -0.45 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 57.56 2kh2 h ASN 53 Cb 1.26 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.82 2kh2 h ASN 53 CO 0.56 0.20 -1.61 -0.90 -0.37 0.00 0.00 177.43 175.31 2kh2 n ASP 54 N -3.43 3.12 -4.37 1.15 5.75 -1.26 -4.94 116.55 112.57 2kh2 n ASP 54 Ca -0.00 -0.05 -0.39 0.00 -0.01 0.00 0.00 54.79 54.34 2kh2 n ASP 54 Cb 0.39 -0.02 -0.12 0.00 -1.03 0.00 0.00 41.12 40.34 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 -2.21 2.99 -0.20 0.11 1.02 -1.25 -1.56 119.74 118.63 2kh2 s LYS 55 Ca -0.13 -0.95 -0.07 0.00 0.02 0.00 0.00 55.97 54.84 2kh2 s LYS 55 Cb 0.04 -3.56 -0.03 0.00 -0.52 0.00 0.00 37.83 33.75 2kh2 s LYS 55 CO 0.27 -0.56 0.04 0.42 -0.92 0.00 0.00 175.35 174.60 2kh2 s ILE 56 N 1.53 4.45 -0.25 2.17 -1.09 -0.19 -1.22 121.20 126.60 2kh2 s ILE 56 Ca 0.02 -0.14 -0.29 0.00 -2.23 0.00 0.00 60.65 58.01 2kh2 s ILE 56 Cb -0.18 -3.02 0.01 0.00 -1.58 0.00 0.00 42.46 37.69 2kh2 s ILE 56 CO 0.05 0.43 1.06 -2.16 -1.23 0.00 0.00 174.94 173.08 2kh2 s PRO 57 N 0.76 4.21 0.17 2.79 0.04 -1.26 0.22 135.00 141.94 2kh2 s PRO 57 Ca 0.02 1.30 -0.03 0.00 0.04 0.00 0.00 61.00 62.33 2kh2 s PRO 57 Cb -0.14 -3.67 -0.03 0.00 0.04 0.00 0.00 34.50 30.70 2kh2 s PRO 57 CO 0.02 -0.70 0.16 0.14 0.04 0.00 0.00 177.00 176.66 2kh2 s VAL 58 N 3.33 0.05 0.12 -0.36 -7.23 0.25 -3.26 120.40 113.30 2kh2 s VAL 58 Ca 0.45 -1.81 0.04 0.00 -1.81 0.00 0.00 61.98 58.85 2kh2 s VAL 58 Cb -0.15 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 2kh2 s VAL 58 CO 0.09 -0.23 0.13 0.00 -0.31 0.00 0.00 175.10 174.78 2kh2 s ALA 59 N -4.07 3.64 -0.28 1.32 0.00 -0.72 -0.37 121.76 121.27 2kh2 s ALA 59 Ca 0.28 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 51.16 2kh2 s ALA 59 Cb 0.06 -1.46 0.08 0.00 0.00 0.00 0.00 23.12 21.79 2kh2 s ALA 59 CO 0.06 0.62 -0.01 -0.51 0.00 0.00 0.00 175.76 175.92 2kh2 s LEU 60 N -2.81 3.37 0.11 0.00 1.43 -1.26 -3.36 118.68 116.16 2kh2 s LEU 60 Ca 0.31 -1.60 0.04 0.00 -1.03 0.00 0.00 54.13 51.85 2kh2 s LEU 60 Cb -0.11 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 2kh2 s LEU 60 CO 0.24 -0.30 -0.11 -0.83 0.23 0.00 0.00 176.35 175.57 2kh2 s GLY 61 N 1.22 0.95 0.14 -3.19 0.00 -1.19 -0.89 107.32 104.36 2kh2 s GLY 61 Ca 0.01 -1.28 -0.30 0.00 0.00 0.00 0.00 44.72 43.15 2kh2 s GLY 61 CO -0.10 -1.36 0.97 1.08 0.00 0.00 0.00 173.10 173.70 2kh2 s LEU 62 N -2.61 4.52 0.40 0.66 1.02 -0.25 -0.88 118.68 121.54 2kh2 s LEU 62 Ca 0.09 1.85 -0.27 0.00 0.02 0.00 0.00 54.13 55.81 2kh2 s LEU 62 Cb -0.02 -3.59 -0.10 0.00 0.02 0.00 0.00 46.19 42.49 2kh2 s LEU 62 CO 0.01 -0.04 1.41 1.17 0.02 0.00 0.00 176.35 178.92 2kh2 n LYS 63 N 2.53 2.37 -2.01 1.70 4.81 -0.93 -2.33 118.16 124.29 2kh2 n LYS 63 Ca 0.02 0.84 -0.13 0.00 -0.87 0.00 0.00 58.31 58.16 2kh2 n LYS 63 Cb 0.49 -2.56 -0.03 0.00 0.02 0.00 0.00 35.03 32.95 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 0.24 -1.81 -4.13 1.64 0.28 -1.26 -4.94 120.64 110.67 2kh2 n GLU 64 Ca 0.04 0.71 -0.09 0.00 -0.16 0.00 0.00 57.16 57.65 2kh2 n GLU 64 Cb 0.39 -5.17 -0.10 0.00 1.43 0.00 0.00 31.44 27.99 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 -4.26 0.75 -0.22 3.44 1.02 -0.98 -5.03 119.74 114.44 2kh2 s LYS 65 Ca 0.00 -1.30 0.15 0.00 0.02 0.00 0.00 55.97 54.83 2kh2 s LYS 65 Cb 0.00 0.06 0.79 0.00 -0.52 0.00 0.00 37.83 38.16 2kh2 s LYS 65 CO 0.00 -0.10 1.72 0.27 -0.92 0.00 0.00 175.35 176.32 2kh2 n ASN 66 N 0.02 5.54 -4.59 2.83 6.94 -1.26 -4.63 115.26 120.10 2kh2 n ASN 66 Ca -0.12 -2.91 -0.40 0.00 -0.02 0.00 0.00 54.58 51.13 2kh2 n ASN 66 Cb 0.61 -0.67 -0.09 0.00 -2.36 0.00 0.00 39.78 37.28 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 -2.71 4.17 0.10 -4.53 1.43 -1.26 -1.34 118.68 114.53 2kh2 s LEU 67 Ca 0.54 0.18 0.10 0.00 -1.03 0.00 0.00 54.13 53.91 2kh2 s LEU 67 Cb 0.41 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 2kh2 s LEU 67 CO 0.16 -0.29 -0.25 -0.31 0.23 0.00 0.00 176.35 175.89 2kh2 s TYR 68 N 2.18 2.12 -0.10 0.29 1.51 -0.18 -1.09 117.35 122.07 2kh2 s TYR 68 Ca 0.16 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.53 2kh2 s TYR 68 Cb -0.16 -1.19 -0.03 0.00 -0.11 0.00 0.00 41.96 40.48 2kh2 s TYR 68 CO 0.11 0.24 1.36 -0.51 -1.11 0.00 0.00 175.55 175.64 2kh2 s LEU 69 N -1.76 4.24 -0.08 -1.29 1.43 -0.07 -0.83 118.68 120.32 2kh2 s LEU 69 Ca 0.11 1.89 0.03 0.00 -1.03 0.00 0.00 54.13 55.13 2kh2 s LEU 69 Cb -0.10 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 2kh2 s LEU 69 CO 0.04 -0.77 -0.16 -0.55 0.23 0.00 0.00 176.35 175.14 2kh2 s SER 70 N 2.22 3.80 -0.37 2.29 0.15 0.81 -4.46 113.70 118.13 2kh2 s SER 70 Ca 0.60 -0.32 -0.10 0.00 0.70 0.00 0.00 55.95 56.84 2kh2 s SER 70 Cb -0.26 -1.13 0.03 0.00 -1.71 0.00 0.00 66.02 62.95 2kh2 s SER 70 CO 0.21 0.26 0.18 0.00 1.20 0.00 0.00 173.24 175.08 2kh2 s VAL 72 N 1.51 0.27 -0.26 0.00 -7.23 -0.77 -4.65 120.40 109.27 2kh2 s VAL 72 Ca 0.01 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.01 2kh2 s VAL 72 Cb -0.19 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 2kh2 s VAL 72 CO 0.06 0.00 0.45 -0.76 -0.31 0.00 0.00 175.10 174.53 2kh2 s LEU 73 N -3.26 4.05 -0.34 1.32 1.43 -1.26 0.35 118.68 120.98 2kh2 s LEU 73 Ca 0.38 0.42 0.04 0.00 -1.03 0.00 0.00 54.13 53.94 2kh2 s LEU 73 Cb 0.07 -2.55 0.10 0.00 0.03 0.00 0.00 46.19 43.84 2kh2 s LEU 73 CO 0.14 -0.23 0.05 -0.54 0.23 0.00 0.00 176.35 176.00 2kh2 s LYS 74 N 2.15 1.46 -0.60 1.70 1.02 0.53 -4.78 119.74 121.21 2kh2 s LYS 74 Ca 0.18 -1.82 -0.03 0.00 0.02 0.00 0.00 55.97 54.33 2kh2 s LYS 74 Cb -0.16 -3.13 -0.03 0.00 -0.52 0.00 0.00 37.83 33.99 2kh2 s LYS 74 CO 0.09 -0.93 0.53 -3.47 -0.92 0.00 0.00 175.35 170.66 2kh2 n ASP 75 N 4.29 -5.05 -0.53 2.83 4.64 -1.26 -3.53 116.55 117.94 2kh2 n ASP 75 Ca 0.03 -0.34 -0.07 0.00 -1.38 0.00 0.00 54.79 53.03 2kh2 n ASP 75 Cb 0.42 -3.47 -0.03 0.00 -1.04 0.00 0.00 41.12 37.00 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 -2.30 -5.60 -3.73 1.67 9.92 -1.26 -4.95 116.55 110.29 2kh2 n ASP 76 Ca -0.03 0.17 -0.14 0.00 -0.53 0.00 0.00 54.79 54.26 2kh2 n ASP 76 Cb 0.56 -3.71 -0.14 0.00 -0.64 0.00 0.00 41.12 37.18 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 -2.48 0.10 0.15 -1.24 2.47 -1.23 -5.13 119.74 112.39 2kh2 s LYS 77 Ca 0.00 0.43 -0.31 0.00 -1.56 0.00 0.00 55.97 54.53 2kh2 s LYS 77 Cb 0.00 -0.18 -0.11 0.00 -1.46 0.00 0.00 37.83 36.08 2kh2 s LYS 77 CO 0.00 -0.19 1.75 -2.14 0.16 0.00 0.00 175.35 174.93 2kh2 s PRO 78 N 1.37 4.15 0.07 4.03 0.02 -1.26 -0.35 135.00 143.03 2kh2 s PRO 78 Ca -0.07 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.49 2kh2 s PRO 78 Cb -0.11 -3.38 -0.04 0.00 0.02 0.00 0.00 34.50 30.99 2kh2 s PRO 78 CO -0.06 -0.78 -0.05 0.99 -0.33 0.00 0.00 177.00 176.77 2kh2 s THR 79 N 2.05 0.45 0.04 0.99 2.01 0.16 -4.75 115.64 116.59 2kh2 s THR 79 Ca 0.77 -1.83 -0.07 0.00 0.31 0.00 0.00 61.69 60.87 2kh2 s THR 79 Cb -0.46 -1.55 -0.05 0.00 0.01 0.00 0.00 72.50 70.45 2kh2 s THR 79 CO 0.34 -0.91 0.31 -0.22 -0.69 0.00 0.00 174.62 173.45 2kh2 s LEU 80 N -2.91 4.35 0.20 4.42 2.96 -1.26 -1.84 118.68 124.60 2kh2 s LEU 80 Ca 0.08 0.62 -0.10 0.00 -0.22 0.00 0.00 54.13 54.51 2kh2 s LEU 80 Cb 0.06 -2.83 -0.01 0.00 0.50 0.00 0.00 46.19 43.91 2kh2 s LEU 80 CO -0.07 0.21 0.35 0.00 -1.32 0.00 0.00 176.35 175.51 2kh2 s GLN 81 N -1.91 1.32 -0.30 1.98 -2.07 0.12 -4.90 119.66 113.89 2kh2 s GLN 81 Ca 0.31 -1.25 -0.09 0.00 -1.82 0.00 0.00 55.36 52.51 2kh2 s GLN 81 Cb -0.13 0.40 -0.01 0.00 -1.09 0.00 0.00 33.01 32.19 2kh2 s GLN 81 CO 0.18 -0.51 0.14 -0.51 -1.32 0.00 0.00 175.29 173.27 2kh2 s LEU 82 N -3.01 4.03 -0.18 2.60 2.01 -1.26 -0.13 118.68 122.73 2kh2 s LEU 82 Ca 0.22 -0.53 -0.06 0.00 0.01 0.00 0.00 54.13 53.77 2kh2 s LEU 82 Cb 0.02 -1.98 -0.03 0.00 0.01 0.00 0.00 46.19 44.21 2kh2 s LEU 82 CO 0.05 -0.18 0.02 -1.61 1.01 0.00 0.00 176.35 175.64 2kh2 s GLU 83 N 1.60 3.80 -0.93 1.70 2.02 -0.01 -4.90 118.70 121.98 2kh2 s GLU 83 Ca 0.04 -0.43 -0.18 0.00 0.02 0.00 0.00 54.97 54.42 2kh2 s GLU 83 Cb -0.17 -3.11 0.14 0.00 0.10 0.00 0.00 34.13 31.09 2kh2 s GLU 83 CO 0.05 0.19 1.11 -1.12 0.02 0.00 0.00 175.26 175.51 2kh2 s SER 84 N 0.57 6.67 0.72 -0.19 0.01 -1.26 -1.01 113.70 119.20 2kh2 s SER 84 Ca 0.01 -2.16 -0.07 0.00 1.31 0.00 0.00 55.95 55.03 2kh2 s SER 84 Cb -0.14 -2.38 0.06 0.00 0.21 0.00 0.00 66.02 63.78 2kh2 s SER 84 CO 0.02 -1.00 1.03 0.68 0.41 0.00 0.00 173.24 174.38 2kh2 s VAL 85 N 2.37 2.25 -0.19 3.43 -7.23 -0.45 -4.97 120.40 115.60 2kh2 s VAL 85 Ca 0.32 -0.24 -0.33 0.00 -1.81 0.00 0.00 61.98 59.92 2kh2 s VAL 85 Cb -0.05 -3.00 -0.10 0.00 0.56 0.00 0.00 36.38 33.78 2kh2 s VAL 85 CO -0.09 -0.00 2.04 -0.67 -0.31 0.00 0.00 175.10 176.07 2kh2 n ASP 86 N -2.96 3.04 0.03 4.85 4.64 -1.26 -4.83 116.55 120.05 2kh2 n ASP 86 Ca 0.08 0.65 0.07 0.00 -1.38 0.00 0.00 54.79 54.21 2kh2 n ASP 86 Cb 0.61 -1.38 0.32 0.00 -1.04 0.00 0.00 41.12 39.63 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 7.53 0.04 -0.00 -0.67 -0.04 -1.26 -2.07 135.00 138.53 2kh2 n PRO 87 Ca 0.29 0.32 0.07 0.00 -0.04 0.00 0.00 63.50 64.14 2kh2 n PRO 87 Cb 0.31 -1.58 -0.10 0.00 -0.04 0.00 0.00 33.50 32.08 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 -1.66 0.98 -0.19 0.54 2.85 -1.26 -4.42 118.16 115.00 2kh2 n LYS 88 Ca 0.03 -0.09 0.09 0.00 -1.05 0.00 0.00 58.31 57.28 2kh2 n LYS 88 Cb 0.16 -1.28 0.19 0.00 -0.65 0.00 0.00 35.03 33.45 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 -1.81 3.18 -4.06 -5.58 3.02 -1.04 -4.95 115.26 104.02 2kh2 n ASN 89 Ca -0.01 -1.92 -0.13 0.00 -0.03 0.00 0.00 54.58 52.49 2kh2 n ASN 89 Cb 0.32 -0.26 -0.11 0.00 -0.61 0.00 0.00 39.78 39.12 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 -1.16 0.64 0.81 3.10 1.51 -0.88 -4.58 117.35 116.79 2kh2 s TYR 90 Ca 0.32 -0.49 -0.08 0.00 -1.01 0.00 0.00 57.07 55.81 2kh2 s TYR 90 Cb 0.18 -0.39 0.18 0.00 -0.11 0.00 0.00 41.96 41.82 2kh2 s TYR 90 CO 0.24 -0.09 1.10 -0.35 -1.11 0.00 0.00 175.55 175.35 2kh2 n PRO 91 N 1.50 -0.65 -3.91 -1.71 -0.04 -1.26 -4.81 135.00 124.11 2kh2 n PRO 91 Ca -0.23 -2.26 -0.09 0.00 -0.04 0.00 0.00 63.50 60.88 2kh2 n PRO 91 Cb 0.55 -0.96 -0.07 0.00 -0.04 0.00 0.00 33.50 32.98 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 -5.36 1.09 0.01 0.54 -2.85 -1.26 -5.07 119.74 106.84 2kh2 s LYS 92 Ca 0.67 -1.09 -0.25 0.00 -1.00 0.00 0.00 55.97 54.30 2kh2 s LYS 92 Cb -0.03 0.38 -0.19 0.00 -2.06 0.00 0.00 37.83 35.94 2kh2 s LYS 92 CO 0.46 -0.39 1.40 -0.22 0.10 0.00 0.00 175.35 176.69 2kh2 h LYS 93 N 2.57 0.02 -4.29 1.78 3.64 -1.99 -3.36 116.57 114.94 2kh2 h LYS 93 Ca -0.32 -0.01 -0.75 0.00 -1.27 0.00 0.00 60.65 58.30 2kh2 h LYS 93 Cb 1.22 -0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.82 2kh2 h LYS 93 CO 0.50 0.37 0.47 0.21 -2.27 0.00 0.00 179.45 178.72 2kh2 s LYS 94 N -4.77 3.69 0.87 1.90 2.47 -1.26 -2.67 119.74 119.96 2kh2 s LYS 94 Ca -0.15 -2.29 -0.12 0.00 -1.56 0.00 0.00 55.97 51.85 2kh2 s LYS 94 Cb 0.03 -4.65 0.15 0.00 -1.46 0.00 0.00 37.83 31.90 2kh2 s LYS 94 CO 0.67 -1.49 1.21 -1.64 0.16 0.00 0.00 175.35 174.27 2kh2 s MET 95 N 1.02 1.22 0.59 4.03 -1.94 -1.26 -5.05 119.30 117.92 2kh2 s MET 95 Ca 0.26 -0.40 -0.17 0.00 -1.71 0.00 0.00 55.69 53.67 2kh2 s MET 95 Cb -0.08 -1.98 -0.04 0.00 2.01 0.00 0.00 34.83 34.75 2kh2 s MET 95 CO -0.09 -1.98 1.08 -1.21 -0.01 0.00 0.00 175.02 172.82 2kh2 s GLU 96 N -5.65 3.23 0.53 2.03 8.01 -1.26 -4.90 118.70 120.70 2kh2 s GLU 96 Ca 0.69 1.36 0.22 0.00 0.01 0.00 0.00 54.97 57.24 2kh2 s GLU 96 Cb -0.06 -2.01 1.36 0.00 -4.31 0.00 0.00 34.13 29.11 2kh2 s GLU 96 CO 0.50 -0.90 2.07 -0.22 0.01 0.00 0.00 175.26 176.71 2kh2 h LYS 97 N 0.60 0.00 -0.00 1.61 1.63 -1.96 0.46 116.57 118.91 2kh2 h LYS 97 Ca -0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 2kh2 h LYS 97 Cb 1.24 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 2kh2 h LYS 97 CO 0.56 0.00 -0.05 2.89 -3.45 0.00 0.00 179.45 179.40 2kh2 n ARG 98 N -4.42 0.19 0.00 1.90 1.85 -1.26 -3.26 116.66 111.65 2kh2 n ARG 98 Ca 0.04 -0.02 0.06 0.00 -1.00 0.00 0.00 57.85 56.93 2kh2 n ARG 98 Cb 0.38 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.33 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 -1.39 0.00 -3.43 2.89 3.72 0.12 -0.76 117.46 118.60 2kh2 n PHE 99 Ca 0.10 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.11 2kh2 n PHE 99 Cb 0.31 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.75 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 -1.00 5.20 0.07 -4.37 1.01 -1.00 -4.02 120.40 116.29 2kh2 s VAL 100 Ca 0.13 0.45 0.06 0.00 0.00 0.00 0.00 61.98 62.61 2kh2 s VAL 100 Cb 0.09 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2kh2 s VAL 100 CO 0.16 0.16 -0.08 -0.36 0.00 0.00 0.00 175.10 174.98 2kh2 s PHE 101 N 2.00 2.81 -0.44 5.22 0.40 0.50 -1.99 117.98 126.48 2kh2 s PHE 101 Ca 0.13 -0.11 -0.11 0.00 -0.60 0.00 0.00 56.93 56.24 2kh2 s PHE 101 Cb -0.16 -1.50 0.09 0.00 0.51 0.00 0.00 43.02 41.96 2kh2 s PHE 101 CO 0.10 0.41 0.32 1.21 0.70 0.00 0.00 175.22 177.96 2kh2 s ASN 102 N -1.97 5.80 -0.59 1.36 3.04 0.23 -0.58 114.94 122.23 2kh2 s ASN 102 Ca 0.21 -1.53 -0.27 0.00 0.04 0.00 0.00 52.86 51.30 2kh2 s ASN 102 Cb -0.11 -2.05 -0.01 0.00 -1.54 0.00 0.00 41.25 37.54 2kh2 s ASN 102 CO 0.12 -0.60 1.67 -0.75 -3.04 0.00 0.00 177.10 174.50 2kh2 s LYS 103 N 1.48 2.94 -0.06 0.43 2.20 0.13 -1.50 119.74 125.36 2kh2 s LYS 103 Ca 0.04 0.55 -0.26 0.00 -0.36 0.00 0.00 55.97 55.94 2kh2 s LYS 103 Cb -0.24 -4.28 -0.03 0.00 -1.51 0.00 0.00 37.83 31.77 2kh2 s LYS 103 CO 0.03 -2.37 0.80 0.42 -0.36 0.00 0.00 175.35 173.87 2kh2 s ILE 104 N 7.68 4.97 -0.58 5.43 1.01 0.18 -1.03 121.20 138.85 2kh2 s ILE 104 Ca 0.61 1.66 0.06 0.00 0.00 0.00 0.00 60.65 62.98 2kh2 s ILE 104 Cb -0.13 -4.14 0.22 0.00 0.01 0.00 0.00 42.46 38.43 2kh2 s ILE 104 CO 0.22 0.19 0.61 -0.62 0.00 0.00 0.00 174.94 175.34 2kh2 n GLU 105 N 4.02 1.78 0.36 2.79 1.02 -0.60 -0.43 120.64 129.58 2kh2 n GLU 105 Ca 0.02 -4.19 -0.15 0.00 -0.02 0.00 0.00 57.16 52.82 2kh2 n GLU 105 Cb 0.51 -1.99 -0.07 0.00 -0.02 0.00 0.00 31.44 29.86 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 3.35 0.00 0.00 -3.67 3.07 -1.85 -3.47 117.51 114.95 2kh2 h ILE 106 Ca 0.17 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.41 2kh2 h ILE 106 Cb 0.75 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.30 2kh2 h ILE 106 CO 0.69 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.33 2kh2 n ASN 107 N -5.01 0.00 -0.00 2.16 0.23 -1.26 -4.99 115.26 106.39 2kh2 n ASN 107 Ca -0.12 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.03 2kh2 n ASN 107 Cb 0.37 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 37.95 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 0.77 -4.82 0.53 5.03 -1.26 -4.92 115.26 110.58 2kh2 n ASN 108 Ca 0.00 -0.64 -0.36 0.00 0.87 0.00 0.00 54.58 54.45 2kh2 n ASN 108 Cb 0.00 1.29 -0.07 0.00 -1.02 0.00 0.00 39.78 39.98 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 -2.98 3.40 -0.04 3.52 -0.14 -1.26 -4.93 119.74 117.30 2kh2 s LYS 109 Ca 0.03 -0.20 0.01 0.00 -1.36 0.00 0.00 55.97 54.45 2kh2 s LYS 109 Cb 0.14 -3.12 -0.03 0.00 -1.68 0.00 0.00 37.83 33.13 2kh2 s LYS 109 CO 0.79 0.72 -0.05 -0.51 -0.76 0.00 0.00 175.35 175.54 2kh2 s LEU 110 N -0.89 3.24 0.16 3.17 1.43 -0.25 -3.82 118.68 121.73 2kh2 s LEU 110 Ca 0.14 -0.04 0.11 0.00 -1.03 0.00 0.00 54.13 53.31 2kh2 s LEU 110 Cb -0.12 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 2kh2 s LEU 110 CO 0.03 0.34 -0.25 -1.61 0.23 0.00 0.00 176.35 175.08 2kh2 s GLU 111 N -1.05 1.45 -0.34 1.70 2.02 0.43 0.20 118.70 123.12 2kh2 s GLU 111 Ca 0.14 -1.43 0.01 0.00 0.02 0.00 0.00 54.97 53.71 2kh2 s GLU 111 Cb -0.11 -1.87 0.09 0.00 0.10 0.00 0.00 34.13 32.34 2kh2 s GLU 111 CO 0.04 0.42 0.05 -0.06 0.02 0.00 0.00 175.26 175.73 2kh2 s PHE 112 N -1.36 3.57 0.17 1.61 0.08 -1.26 0.47 117.98 121.26 2kh2 s PHE 112 Ca 0.17 -2.59 -0.08 0.00 0.12 0.00 0.00 56.93 54.56 2kh2 s PHE 112 Cb -0.09 -2.71 -0.06 0.00 -0.57 0.00 0.00 43.02 39.59 2kh2 s PHE 112 CO 0.08 -0.92 0.46 -2.00 -0.10 0.00 0.00 175.22 172.73 2kh2 s GLU 113 N 1.04 3.72 -0.06 0.44 2.12 -0.56 -1.73 118.70 123.66 2kh2 s GLU 113 Ca 0.05 0.10 -0.21 0.00 0.36 0.00 0.00 54.97 55.27 2kh2 s GLU 113 Cb -0.20 -2.78 -0.04 0.00 0.26 0.00 0.00 34.13 31.37 2kh2 s GLU 113 CO -0.06 0.41 0.61 0.45 -0.54 0.00 0.00 175.26 176.14 2kh2 s SER 114 N -2.32 6.90 0.27 -1.70 0.15 -0.48 0.74 113.70 117.25 2kh2 s SER 114 Ca 0.43 1.07 0.02 0.00 0.70 0.00 0.00 55.95 58.17 2kh2 s SER 114 Cb -0.12 -2.36 0.38 0.00 -1.71 0.00 0.00 66.02 62.21 2kh2 s SER 114 CO 0.22 -0.02 1.70 0.00 1.20 0.00 0.00 173.24 176.34 2kh2 h ALA 115 N 6.45 1.06 -0.34 5.45 0.00 -1.63 -2.84 119.26 127.41 2kh2 h ALA 115 Ca -0.42 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 53.98 2kh2 h ALA 115 Cb 1.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2kh2 h ALA 115 CO 0.74 0.57 -0.37 0.37 0.00 0.00 0.00 179.25 180.56 2kh2 h GLN 116 N 0.41 0.79 -4.15 0.00 4.15 -1.77 -3.40 115.11 111.14 2kh2 h GLN 116 Ca 0.05 -0.40 -0.62 0.00 0.77 0.00 0.00 58.65 58.45 2kh2 h GLN 116 Cb 0.72 0.01 -0.40 0.00 0.21 0.00 0.00 27.48 28.02 2kh2 h GLN 116 CO 0.06 1.03 -0.74 -0.06 -1.93 0.00 0.00 178.83 177.19 2kh2 s PHE 117 N -4.37 2.76 0.48 3.99 0.08 -1.08 -5.11 117.98 114.74 2kh2 s PHE 117 Ca -0.10 -2.37 -0.22 0.00 0.12 0.00 0.00 56.93 54.36 2kh2 s PHE 117 Cb 0.12 -2.31 -0.07 0.00 -0.57 0.00 0.00 43.02 40.19 2kh2 s PHE 117 CO 0.86 -0.91 1.20 -2.14 -0.10 0.00 0.00 175.22 174.13 2kh2 s PRO 118 N 1.25 3.59 0.00 0.24 0.02 -1.22 -2.70 135.00 136.19 2kh2 s PRO 118 Ca 0.10 1.86 0.00 0.00 0.02 0.00 0.00 61.00 62.97 2kh2 s PRO 118 Cb -0.18 -2.34 0.00 0.00 0.02 0.00 0.00 34.50 32.00 2kh2 s PRO 118 CO -0.16 -0.71 0.00 0.09 -0.33 0.00 0.00 177.00 175.89 2kh2 n ASN 119 N -0.67 -0.12 -4.41 2.53 5.03 -1.26 -4.98 115.26 111.37 2kh2 n ASN 119 Ca 0.08 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.17 2kh2 n ASN 119 Cb 0.48 -0.54 -0.13 0.00 -1.02 0.00 0.00 39.78 38.58 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 -3.33 3.10 0.24 3.10 0.52 -1.10 -4.35 118.94 117.12 2kh2 s TRP 120 Ca 0.00 -0.60 0.10 0.00 0.02 0.00 0.00 56.10 55.62 2kh2 s TRP 120 Cb 0.00 -2.25 -0.05 0.00 -1.15 0.00 0.00 33.47 30.03 2kh2 s TRP 120 CO 0.00 -0.43 -0.18 0.71 0.02 0.00 0.00 176.95 177.06 2kh2 s TYR 121 N 1.58 2.06 0.03 -1.98 2.02 0.44 -1.39 117.35 120.11 2kh2 s TYR 121 Ca 0.05 -0.42 -0.30 0.00 -0.37 0.00 0.00 57.07 56.03 2kh2 s TYR 121 Cb -0.16 -0.93 -0.07 0.00 -0.40 0.00 0.00 41.96 40.39 2kh2 s TYR 121 CO 0.03 0.55 1.67 0.42 -1.57 0.00 0.00 175.55 176.65 2kh2 s ILE 122 N -2.53 3.20 0.14 2.71 1.01 -0.71 0.03 121.20 125.06 2kh2 s ILE 122 Ca 0.25 0.52 0.07 0.00 0.00 0.00 0.00 60.65 61.50 2kh2 s ILE 122 Cb -0.04 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 2kh2 s ILE 122 CO 0.11 -0.02 -0.16 -0.44 0.00 0.00 0.00 174.94 174.43 2kh2 s SER 123 N 2.82 2.32 -0.09 3.58 0.01 0.47 -4.33 113.70 118.49 2kh2 s SER 123 Ca 0.75 -0.83 -0.06 0.00 1.31 0.00 0.00 55.95 57.12 2kh2 s SER 123 Cb -0.38 -0.11 0.03 0.00 0.21 0.00 0.00 66.02 65.77 2kh2 s SER 123 CO 0.32 -0.09 0.21 0.42 0.41 0.00 0.00 173.24 174.51 2kh2 s THR 124 N -2.08 -0.02 0.88 1.44 -4.23 -0.79 -2.08 115.64 108.75 2kh2 s THR 124 Ca 0.12 0.08 -0.11 0.00 -1.18 0.00 0.00 61.69 60.60 2kh2 s THR 124 Cb -0.05 -0.32 0.12 0.00 1.34 0.00 0.00 72.50 73.59 2kh2 s THR 124 CO 0.05 0.03 1.10 -0.44 -0.54 0.00 0.00 174.62 174.81 2kh2 s SER 125 N 0.66 3.53 0.31 3.99 0.01 -1.26 -1.01 113.70 119.94 2kh2 s SER 125 Ca -0.05 1.70 0.06 0.00 1.31 0.00 0.00 55.95 58.98 2kh2 s SER 125 Cb -0.06 -2.35 0.52 0.00 0.21 0.00 0.00 66.02 64.34 2kh2 s SER 125 CO -0.04 -2.63 1.75 1.56 0.41 0.00 0.00 173.24 174.29 2kh2 h GLN 126 N -1.54 0.28 -7.15 12.44 1.08 -1.97 -3.45 115.11 114.80 2kh2 h GLN 126 Ca -0.47 -0.11 -0.54 0.00 -1.45 0.00 0.00 58.65 56.07 2kh2 h GLN 126 Cb 1.27 -0.01 0.15 0.00 -0.05 0.00 0.00 27.48 28.84 2kh2 h GLN 126 CO 0.51 0.58 0.44 0.00 -0.95 0.00 0.00 178.83 179.41 2kh2 s ALA 127 N -4.34 2.24 0.42 3.87 0.00 -1.26 -5.01 121.76 117.68 2kh2 s ALA 127 Ca -0.05 1.00 -0.13 0.00 0.00 0.00 0.00 51.96 52.78 2kh2 s ALA 127 Cb 0.14 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.69 2kh2 s ALA 127 CO 0.77 -1.71 0.82 -2.00 0.00 0.00 0.00 175.76 173.64 2kh2 s GLU 128 N -3.67 3.89 -0.82 0.00 2.56 -1.26 -3.98 118.70 115.41 2kh2 s GLU 128 Ca 0.77 0.66 0.00 0.00 0.00 0.00 0.00 54.97 56.40 2kh2 s GLU 128 Cb -0.32 -2.33 0.00 0.00 2.00 0.00 0.00 34.13 33.48 2kh2 s GLU 128 CO 0.42 -0.05 0.00 -1.71 -0.56 0.00 0.00 175.26 173.36 2kh2 n ASN 129 N -1.14 -3.82 -4.83 -1.70 5.15 -1.10 -5.01 115.26 102.80 2kh2 n ASN 129 Ca 0.04 0.17 -0.38 0.00 -0.60 0.00 0.00 54.58 53.81 2kh2 n ASN 129 Cb 0.54 -2.16 -0.06 0.00 -0.53 0.00 0.00 39.78 37.57 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 -2.89 3.98 0.95 1.20 -1.94 -1.22 -4.85 119.30 114.52 2kh2 s MET 130 Ca 0.00 0.48 -0.14 0.00 -1.71 0.00 0.00 55.69 54.32 2kh2 s MET 130 Cb 0.00 -3.22 0.17 0.00 2.01 0.00 0.00 34.83 33.79 2kh2 s MET 130 CO 0.00 0.68 1.18 -1.25 -0.01 0.00 0.00 175.02 175.62 2kh2 s PRO 131 N -1.11 0.80 -0.16 2.03 0.04 -1.26 -0.39 135.00 134.95 2kh2 s PRO 131 Ca 0.25 0.05 -0.14 0.00 0.04 0.00 0.00 61.00 61.19 2kh2 s PRO 131 Cb -0.17 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 2kh2 s PRO 131 CO 0.15 -2.38 0.31 0.08 0.04 0.00 0.00 177.00 175.20 2kh2 s VAL 132 N -3.43 5.29 0.27 -0.36 1.01 -0.80 -4.64 120.40 117.75 2kh2 s VAL 132 Ca 0.67 0.60 0.03 0.00 0.00 0.00 0.00 61.98 63.28 2kh2 s VAL 132 Cb -0.11 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2kh2 s VAL 132 CO 0.53 0.38 0.20 0.72 0.00 0.00 0.00 175.10 176.93 2kh2 s PHE 133 N 0.49 1.49 -0.20 5.22 -0.12 -0.88 -4.85 117.98 119.12 2kh2 s PHE 133 Ca 0.18 -1.50 -0.16 0.00 -0.05 0.00 0.00 56.93 55.40 2kh2 s PHE 133 Cb -0.13 -0.68 -0.04 0.00 -0.63 0.00 0.00 43.02 41.54 2kh2 s PHE 133 CO 0.05 -0.72 0.40 -1.17 -0.05 0.00 0.00 175.22 173.73 2kh2 s LEU 134 N -3.29 4.15 -0.08 -1.99 2.96 -1.26 -0.40 118.68 118.78 2kh2 s LEU 134 Ca 0.39 0.52 0.02 0.00 -0.22 0.00 0.00 54.13 54.84 2kh2 s LEU 134 Cb 0.05 -2.52 -0.02 0.00 0.50 0.00 0.00 46.19 44.20 2kh2 s LEU 134 CO 0.20 -0.08 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.18 2kh2 s GLY 135 N 1.05 1.53 -0.05 7.98 0.00 0.10 -4.85 107.32 113.09 2kh2 s GLY 135 Ca 0.19 -0.94 0.20 0.00 0.00 0.00 0.00 44.72 44.17 2kh2 s GLY 135 CO 0.08 -0.55 1.56 0.61 0.00 0.00 0.00 173.10 174.80 2kh2 n GLY 136 N 2.76 2.63 3.00 0.20 0.00 -1.26 -0.42 105.19 112.11 2kh2 n GLY 136 Ca -0.18 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.34 2.68 -0.11 2.61 -4.23 -1.26 -4.84 115.64 109.15 2kh2 s THR 137 Ca 0.49 -2.87 -0.29 0.00 -1.18 0.00 0.00 61.69 57.84 2kh2 s THR 137 Cb 0.28 -2.87 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 2kh2 s THR 137 CO 0.29 -0.74 0.98 -0.75 -0.54 0.00 0.00 174.62 173.86 2kh2 s LYS 138 N 0.23 4.42 0.00 3.99 2.20 -1.26 -3.41 119.74 125.90 2kh2 s LYS 138 Ca 0.14 1.34 0.00 0.00 -0.36 0.00 0.00 55.97 57.09 2kh2 s LYS 138 Cb -0.23 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.55 2kh2 s LYS 138 CO -0.03 -0.29 0.00 0.41 -0.36 0.00 0.00 175.35 175.08 2kh2 n GLY 139 N 3.12 0.54 0.00 5.54 0.00 -1.26 -5.05 105.19 108.09 2kh2 n GLY 139 Ca 0.08 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.30 1.48 0.12 -0.02 0.00 -1.22 -5.02 105.19 98.22 2kh2 n GLY 140 Ca 0.00 -1.25 -0.21 0.00 0.00 0.00 0.00 46.02 44.57 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 0.27 -6.80 1.61 7.50 -1.97 -3.46 115.11 112.26 2kh2 h GLN 141 Ca 0.00 -0.46 -0.50 0.00 0.50 0.00 0.00 58.65 58.19 2kh2 h GLN 141 Cb 0.00 0.17 0.01 0.00 0.05 0.00 0.00 27.48 27.71 2kh2 h GLN 141 CO 0.00 1.22 0.46 -0.51 -1.50 0.00 0.00 178.83 178.50 2kh2 s ASP 142 N -6.99 7.30 0.05 1.46 1.01 -1.26 -4.61 116.67 113.62 2kh2 s ASP 142 Ca -0.16 2.23 -0.30 0.00 0.71 0.00 0.00 52.55 55.02 2kh2 s ASP 142 Cb 0.02 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 2kh2 s ASP 142 CO 0.80 -0.12 1.18 -0.63 0.21 0.00 0.00 175.17 176.61 2kh2 s ILE 143 N -1.18 4.12 -0.08 0.77 1.01 -0.18 -4.69 121.20 120.97 2kh2 s ILE 143 Ca 0.44 1.52 0.06 0.00 0.00 0.00 0.00 60.65 62.67 2kh2 s ILE 143 Cb -0.31 -3.97 -0.09 0.00 0.01 0.00 0.00 42.46 38.10 2kh2 s ILE 143 CO 0.40 0.11 0.17 0.35 0.00 0.00 0.00 174.94 175.97 2kh2 n THR 144 N 3.99 0.00 -3.44 2.92 -2.24 -1.26 -1.89 114.28 112.35 2kh2 n THR 144 Ca 0.09 -0.20 -0.37 0.00 -2.27 0.00 0.00 64.05 61.30 2kh2 n THR 144 Cb 0.47 0.52 -0.06 0.00 -2.10 0.00 0.00 70.33 69.16 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 -2.45 6.85 0.30 3.42 -4.77 -1.26 -4.31 116.67 114.45 2kh2 s ASP 145 Ca -0.01 1.02 0.04 0.00 -3.30 0.00 0.00 52.55 50.30 2kh2 s ASP 145 Cb 0.04 -2.27 -0.03 0.00 -1.09 0.00 0.00 42.92 39.57 2kh2 s ASP 145 CO 0.27 0.27 0.20 -0.36 0.70 0.00 0.00 175.17 176.25 2kh2 s PHE 146 N -1.18 1.60 0.26 2.11 0.08 0.13 -3.63 117.98 117.36 2kh2 s PHE 146 Ca 0.28 -1.50 0.11 0.00 0.12 0.00 0.00 56.93 55.94 2kh2 s PHE 146 Cb -0.17 -0.76 -0.05 0.00 -0.57 0.00 0.00 43.02 41.47 2kh2 s PHE 146 CO 0.16 -0.68 -0.13 0.95 -0.10 0.00 0.00 175.22 175.42 2kh2 s THR 147 N -3.61 2.86 -0.42 0.64 -4.23 0.61 -1.09 115.64 110.42 2kh2 s THR 147 Ca 0.38 -2.15 0.02 0.00 -1.18 0.00 0.00 61.69 58.75 2kh2 s THR 147 Cb 0.04 -2.50 0.13 0.00 1.34 0.00 0.00 72.50 71.51 2kh2 s THR 147 CO 0.21 -0.35 0.21 -0.32 -0.54 0.00 0.00 174.62 173.83 2kh2 s MET 148 N -3.45 1.21 -0.34 3.99 1.75 -1.26 -3.50 119.30 117.71 2kh2 s MET 148 Ca 0.29 -1.87 -0.18 0.00 -1.25 0.00 0.00 55.69 52.68 2kh2 s MET 148 Cb -0.06 -2.33 -0.01 0.00 2.84 0.00 0.00 34.83 35.28 2kh2 s MET 148 CO 0.16 -1.13 0.54 -0.65 -0.65 0.00 0.00 175.02 173.29 2kh2 s GLN 149 N 0.56 3.70 0.25 4.11 1.11 -0.99 -4.90 119.66 123.50 2kh2 s GLN 149 Ca 0.16 -0.05 -0.30 0.00 0.01 0.00 0.00 55.36 55.19 2kh2 s GLN 149 Cb -0.23 -3.78 -0.09 0.00 -1.01 0.00 0.00 33.01 27.89 2kh2 s GLN 149 CO -0.04 -0.62 1.16 -0.06 0.01 0.00 0.00 175.29 175.75 2kh2 s PHE 150 N 2.44 3.46 0.02 0.91 0.08 -1.26 -0.94 117.98 122.68 2kh2 s PHE 150 Ca 0.20 1.57 0.00 0.00 0.12 0.00 0.00 56.93 58.82 2kh2 s PHE 150 Cb -0.15 -3.38 0.00 0.00 -0.57 0.00 0.00 43.02 38.91 2kh2 s PHE 150 CO 0.13 -0.94 0.00 1.33 -0.10 0.00 0.00 175.22 175.64 2kh2 n VAL 151 N 1.63 0.00 -1.69 -0.44 0.24 -0.93 -4.95 118.33 112.19 2kh2 n VAL 151 Ca 0.01 -0.09 -0.43 0.00 -2.04 0.00 0.00 64.34 61.79 2kh2 n VAL 151 Cb 0.44 -0.13 -0.03 0.00 -1.47 0.00 0.00 33.84 32.66 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 -1.11 5.60 0.00 -1.34 0.01 -1.26 -4.79 113.70 110.80 2kh2 s SER 152 Ca 0.00 1.81 0.00 0.00 1.31 0.00 0.00 55.95 59.08 2kh2 s SER 152 Cb -0.00 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2kh2 s SER 152 CO 0.00 -1.86 0.00 -1.20 0.41 0.00 0.00 173.24 170.59