#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 0.00 -4.38 0.00 0.13 -2.06 -3.39 132.00 122.30 2kh2 h PRO 2 Ca 0.00 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 64.38 2kh2 h PRO 2 Cb 0.00 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 30.91 2kh2 h PRO 2 CO 0.00 0.15 0.54 0.08 -0.23 0.00 0.00 178.00 178.55 2kh2 s VAL 3 N -3.38 5.23 0.16 1.56 1.01 -1.26 -4.98 120.40 118.74 2kh2 s VAL 3 Ca 0.03 -2.20 -0.30 0.00 0.00 0.00 0.00 61.98 59.51 2kh2 s VAL 3 Cb 0.08 -4.65 -0.07 0.00 0.00 0.00 0.00 36.38 31.74 2kh2 s VAL 3 CO 0.65 -1.29 1.10 -0.13 0.00 0.00 0.00 175.10 175.43 2kh2 s ARG 4 N 1.20 4.58 -0.11 2.72 0.52 -1.26 -4.91 118.95 121.68 2kh2 s ARG 4 Ca 0.27 1.71 -0.10 0.00 -0.52 0.00 0.00 55.73 57.09 2kh2 s ARG 4 Cb -0.07 -3.29 0.03 0.00 0.52 0.00 0.00 34.95 32.14 2kh2 s ARG 4 CO -0.08 0.04 0.30 -1.12 0.02 0.00 0.00 175.30 174.45 2kh2 s SER 5 N 0.05 -0.32 0.29 0.23 0.01 -1.26 -0.52 113.70 112.19 2kh2 s SER 5 Ca 0.50 0.61 0.09 0.00 1.31 0.00 0.00 55.95 58.46 2kh2 s SER 5 Cb -0.29 0.60 -0.06 0.00 0.21 0.00 0.00 66.02 66.48 2kh2 s SER 5 CO 0.34 -0.11 -0.13 -1.48 0.41 0.00 0.00 173.24 172.27 2kh2 s LEU 6 N 0.33 2.60 -0.13 2.44 0.05 -0.50 -4.92 118.68 118.56 2kh2 s LEU 6 Ca -0.01 -1.12 0.02 0.00 0.05 0.00 0.00 54.13 53.07 2kh2 s LEU 6 Cb -0.03 -0.89 -0.00 0.00 -2.05 0.00 0.00 46.19 43.22 2kh2 s LEU 6 CO -0.01 -0.16 -0.19 0.20 -0.55 0.00 0.00 176.35 175.64 2kh2 s ASN 7 N -3.49 3.46 0.09 1.48 0.01 -1.26 -0.35 114.94 114.87 2kh2 s ASN 7 Ca 0.29 -0.49 -0.13 0.00 -0.71 0.00 0.00 52.86 51.82 2kh2 s ASN 7 Cb 0.00 -1.50 0.02 0.00 0.41 0.00 0.00 41.25 40.18 2kh2 s ASN 7 CO 0.13 0.13 0.32 0.00 -1.51 0.00 0.00 177.10 176.17 2kh2 s THR 9 N -3.48 4.29 0.01 0.00 -4.23 0.91 -0.62 115.64 112.52 2kh2 s THR 9 Ca 0.01 -0.19 -0.24 0.00 -1.18 0.00 0.00 61.69 60.09 2kh2 s THR 9 Cb 0.02 -2.96 -0.05 0.00 1.34 0.00 0.00 72.50 70.85 2kh2 s THR 9 CO -0.09 0.40 0.72 -0.76 -0.54 0.00 0.00 174.62 174.35 2kh2 s LEU 10 N 1.04 4.41 -0.02 4.79 1.43 -1.26 -2.71 118.68 126.36 2kh2 s LEU 10 Ca 0.03 1.34 -0.01 0.00 -1.03 0.00 0.00 54.13 54.46 2kh2 s LEU 10 Cb -0.14 -3.15 0.01 0.00 0.03 0.00 0.00 46.19 42.94 2kh2 s LEU 10 CO 0.02 -0.00 0.04 -0.13 0.23 0.00 0.00 176.35 176.52 2kh2 s ARG 11 N 0.12 0.04 0.71 1.70 0.52 -1.23 -3.83 118.95 116.99 2kh2 s ARG 11 Ca 0.37 0.07 -0.07 0.00 -0.52 0.00 0.00 55.73 55.58 2kh2 s ARG 11 Cb -0.19 0.00 0.16 0.00 0.52 0.00 0.00 34.95 35.43 2kh2 s ARG 11 CO 0.21 -0.02 0.98 -0.40 0.02 0.00 0.00 175.30 176.09 2kh2 n ASP 12 N 3.15 0.59 0.18 0.23 5.68 -1.05 -0.53 116.55 124.80 2kh2 n ASP 12 Ca -0.13 -1.67 0.13 0.00 -0.50 0.00 0.00 54.79 52.62 2kh2 n ASP 12 Cb 0.59 -0.70 0.63 0.00 -1.14 0.00 0.00 41.12 40.50 2kh2 n ASP 12 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2kh2 h SER 13 N -0.99 0.00 -0.17 -1.12 0.02 -1.92 -0.43 113.55 108.93 2kh2 h SER 13 Ca -0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2kh2 h SER 13 Cb 1.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.54 2kh2 h SER 13 CO 0.27 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.96 2kh2 n GLN 14 N -2.41 2.00 -1.66 3.45 1.13 -1.26 -4.91 117.38 113.72 2kh2 n GLN 14 Ca -0.00 -1.48 -0.11 0.00 -1.94 0.00 0.00 57.00 53.46 2kh2 n GLN 14 Cb 0.13 -1.45 -0.03 0.00 0.11 0.00 0.00 30.24 29.00 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 0.73 -0.83 -2.97 -1.09 1.13 -0.17 -4.96 117.38 109.22 2kh2 n GLN 15 Ca 0.17 0.77 -0.35 0.00 -1.94 0.00 0.00 57.00 55.65 2kh2 n GLN 15 Cb 0.44 -4.81 -0.06 0.00 0.11 0.00 0.00 30.24 25.92 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 -3.56 4.25 0.11 -1.09 1.02 -1.26 -4.40 119.74 114.81 2kh2 s LYS 16 Ca 0.00 0.98 0.08 0.00 0.02 0.00 0.00 55.97 57.05 2kh2 s LYS 16 Cb 0.00 -2.58 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 2kh2 s LYS 16 CO 0.00 0.21 -0.14 -1.12 -0.92 0.00 0.00 175.35 173.38 2kh2 s SER 17 N -1.93 4.14 -0.18 2.83 0.01 0.80 -2.52 113.70 116.86 2kh2 s SER 17 Ca 0.52 -0.48 -0.24 0.00 1.31 0.00 0.00 55.95 57.06 2kh2 s SER 17 Cb -0.14 -0.69 -0.02 0.00 0.21 0.00 0.00 66.02 65.39 2kh2 s SER 17 CO 0.19 0.18 0.80 -0.76 0.41 0.00 0.00 173.24 174.05 2kh2 s LEU 18 N -2.19 4.16 0.11 2.44 1.43 -1.25 -1.54 118.68 121.84 2kh2 s LEU 18 Ca 0.20 1.11 0.10 0.00 -1.03 0.00 0.00 54.13 54.51 2kh2 s LEU 18 Cb -0.11 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.90 2kh2 s LEU 18 CO 0.12 -0.39 -0.26 0.68 0.23 0.00 0.00 176.35 176.73 2kh2 s VAL 19 N 2.18 2.15 -0.44 -1.59 -7.23 0.11 -2.87 120.40 112.71 2kh2 s VAL 19 Ca 0.36 -1.67 -0.29 0.00 -1.81 0.00 0.00 61.98 58.58 2kh2 s VAL 19 Cb -0.16 -1.90 0.02 0.00 0.56 0.00 0.00 36.38 34.90 2kh2 s VAL 19 CO 0.12 0.11 1.20 -0.04 -0.31 0.00 0.00 175.10 176.17 2kh2 s MET 20 N -1.91 3.74 0.00 4.82 -1.94 -1.26 -1.03 119.30 121.71 2kh2 s MET 20 Ca 0.12 0.72 0.00 0.00 -1.71 0.00 0.00 55.69 54.83 2kh2 s MET 20 Cb -0.10 -3.91 0.00 0.00 2.01 0.00 0.00 34.83 32.83 2kh2 s MET 20 CO 0.05 -1.36 0.00 0.45 -0.01 0.00 0.00 175.02 174.15 2kh2 n SER 21 N 7.94 0.00 -4.58 3.03 2.88 0.40 -4.95 113.62 118.33 2kh2 n SER 21 Ca 0.13 0.13 -0.22 0.00 -1.33 0.00 0.00 58.87 57.58 2kh2 n SER 21 Cb 0.48 -0.15 0.01 0.00 -0.75 0.00 0.00 64.21 63.80 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 2.32 2.59 0.39 0.46 0.00 -1.11 -4.93 105.19 104.91 2kh2 n GLY 22 Ca 0.00 -2.27 0.20 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 0.15 -0.12 1.61 0.13 -2.04 -2.38 132.00 129.35 2kh2 h PRO 23 Ca -0.30 -0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.66 2kh2 h PRO 23 Cb 1.15 -0.03 -0.26 0.00 0.13 0.00 0.00 31.00 31.98 2kh2 h PRO 23 CO 0.46 0.10 -0.85 0.66 -0.23 0.00 0.00 178.00 178.14 2kh2 n TYR 24 N -4.40 0.41 -4.45 1.56 4.01 -1.26 -5.05 117.16 107.97 2kh2 n TYR 24 Ca 0.13 -1.19 -0.23 0.00 -0.16 0.00 0.00 57.90 56.45 2kh2 n TYR 24 Cb 0.64 -0.21 -0.16 0.00 -0.31 0.00 0.00 39.34 39.29 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 -1.88 1.40 -0.10 -0.72 2.12 -0.90 -4.48 118.70 114.14 2kh2 s GLU 25 Ca 0.36 -0.31 0.03 0.00 0.36 0.00 0.00 54.97 55.41 2kh2 s GLU 25 Cb 0.38 -1.21 -0.01 0.00 0.26 0.00 0.00 34.13 33.55 2kh2 s GLU 25 CO -0.10 -0.00 -0.21 -0.51 -0.54 0.00 0.00 175.26 173.89 2kh2 s LEU 26 N 0.72 2.26 0.17 2.70 1.43 -1.26 -0.46 118.68 124.24 2kh2 s LEU 26 Ca -0.13 -0.48 0.11 0.00 -1.03 0.00 0.00 54.13 52.59 2kh2 s LEU 26 Cb -0.15 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 2kh2 s LEU 26 CO 0.03 0.19 -0.23 -0.54 0.23 0.00 0.00 176.35 176.02 2kh2 s LYS 27 N 0.20 1.42 -0.17 1.70 1.02 -0.20 -2.16 119.74 121.56 2kh2 s LYS 27 Ca -0.13 -1.45 0.00 0.00 0.02 0.00 0.00 55.97 54.41 2kh2 s LYS 27 Cb -0.16 -1.72 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 2kh2 s LYS 27 CO 0.07 0.38 -0.16 0.00 -0.92 0.00 0.00 175.35 174.72 2kh2 s ALA 28 N -1.61 2.48 0.14 5.17 0.00 0.12 0.03 121.76 128.08 2kh2 s ALA 28 Ca 0.18 -1.11 -0.19 0.00 0.00 0.00 0.00 51.96 50.84 2kh2 s ALA 28 Cb -0.08 -1.26 0.05 0.00 0.00 0.00 0.00 23.12 21.83 2kh2 s ALA 28 CO 0.08 -0.17 0.47 -0.48 0.00 0.00 0.00 175.76 175.67 2kh2 s LEU 29 N 1.03 0.05 0.10 0.00 0.05 -0.59 -2.94 118.68 116.39 2kh2 s LEU 29 Ca -0.01 -0.21 -0.31 0.00 0.05 0.00 0.00 54.13 53.65 2kh2 s LEU 29 Cb -0.15 2.11 -0.09 0.00 -2.05 0.00 0.00 46.19 46.01 2kh2 s LEU 29 CO -0.04 -0.90 1.71 -1.00 -0.55 0.00 0.00 176.35 175.57 2kh2 s HIS 30 N -3.79 2.41 -0.25 3.48 3.76 -1.26 -0.14 115.29 119.51 2kh2 s HIS 30 Ca 0.02 0.23 0.01 0.00 -0.15 0.00 0.00 55.06 55.18 2kh2 s HIS 30 Cb 0.01 -4.04 0.06 0.00 1.11 0.00 0.00 32.58 29.72 2kh2 s HIS 30 CO -0.12 -4.18 -0.06 -1.17 -0.85 0.00 0.00 174.74 168.36 2kh2 s LEU 31 N 2.47 2.88 0.00 0.89 2.96 -1.26 -4.89 118.68 121.73 2kh2 s LEU 31 Ca 0.76 -1.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.39 2kh2 s LEU 31 Cb -0.43 -1.29 0.00 0.00 0.50 0.00 0.00 46.19 44.97 2kh2 s LEU 31 CO 0.34 -0.23 0.00 0.00 -1.32 0.00 0.00 176.35 175.13 2kh2 n GLN 32 N 4.59 0.98 0.00 1.98 6.02 -1.26 -4.70 117.38 124.99 2kh2 n GLN 32 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 2kh2 n GLN 32 Cb 0.43 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.69 2kh2 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kh2 n GLY 33 N 1.22 0.53 0.67 1.08 0.00 -1.26 -2.80 105.19 104.64 2kh2 n GLY 33 Ca 0.00 -0.79 0.10 0.00 0.00 0.00 0.00 46.02 45.33 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 0.48 1.88 -0.28 1.61 -0.06 -1.26 -3.62 117.38 116.12 2kh2 n GLN 34 Ca 0.00 -1.33 0.07 0.00 -2.00 0.00 0.00 57.00 53.74 2kh2 n GLN 34 Cb 0.00 -1.41 0.20 0.00 -4.06 0.00 0.00 30.24 24.97 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 0.56 3.34 0.19 1.69 9.92 -1.18 -4.47 116.55 126.60 2kh2 n ASP 35 Ca 0.16 -2.32 0.14 0.00 -0.53 0.00 0.00 54.79 52.25 2kh2 n ASP 35 Cb 0.38 -0.35 0.60 0.00 -0.64 0.00 0.00 41.12 41.11 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 2.14 0.00 -0.01 -1.24 4.05 -1.58 -2.73 114.93 115.55 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 0.99 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.79 2kh2 h MET 36 CO 0.08 0.00 0.00 0.39 0.23 0.00 0.00 176.91 177.61 2kh2 n GLU 37 N -2.56 1.04 -0.18 0.39 -0.58 -1.26 -3.19 120.64 114.30 2kh2 n GLU 37 Ca 0.01 -0.07 0.05 0.00 -0.42 0.00 0.00 57.16 56.74 2kh2 n GLU 37 Cb 0.23 -1.21 0.15 0.00 -0.57 0.00 0.00 31.44 30.04 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 -0.64 1.82 -1.77 3.49 6.02 -1.03 -4.91 117.38 120.36 2kh2 n GLN 38 Ca 0.10 -1.24 -0.42 0.00 -0.01 0.00 0.00 57.00 55.43 2kh2 n GLN 38 Cb 0.06 -1.28 -0.03 0.00 1.02 0.00 0.00 30.24 30.01 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 -1.55 4.15 0.14 -1.09 -2.07 -1.19 -4.82 119.66 113.23 2kh2 s GLN 39 Ca 0.23 2.52 -0.30 0.00 -1.82 0.00 0.00 55.36 55.98 2kh2 s GLN 39 Cb 0.12 -3.69 -0.07 0.00 -1.09 0.00 0.00 33.01 28.27 2kh2 s GLN 39 CO 0.15 -0.83 1.25 0.08 -1.32 0.00 0.00 175.29 174.62 2kh2 s VAL 40 N 3.02 3.61 -0.20 3.63 1.01 -1.14 -5.01 120.40 125.32 2kh2 s VAL 40 Ca 0.80 1.25 -0.10 0.00 0.00 0.00 0.00 61.98 63.93 2kh2 s VAL 40 Cb -0.44 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 2kh2 s VAL 40 CO 0.36 0.15 0.13 -0.69 0.00 0.00 0.00 175.10 175.05 2kh2 s VAL 41 N 0.52 5.40 -0.14 2.92 1.01 -1.26 -4.39 120.40 124.45 2kh2 s VAL 41 Ca 0.57 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.70 2kh2 s VAL 41 Cb -0.33 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 2kh2 s VAL 41 CO 0.33 0.45 -0.01 -0.36 0.00 0.00 0.00 175.10 175.51 2kh2 s PHE 42 N 0.29 3.09 -0.18 5.22 0.08 0.20 -1.66 117.98 125.02 2kh2 s PHE 42 Ca 0.08 -0.11 -0.20 0.00 0.12 0.00 0.00 56.93 56.82 2kh2 s PHE 42 Cb -0.11 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.37 2kh2 s PHE 42 CO -0.02 0.12 0.59 -1.12 -0.10 0.00 0.00 175.22 174.69 2kh2 s SER 43 N 0.06 6.67 -0.36 1.36 0.01 0.66 -2.00 113.70 120.10 2kh2 s SER 43 Ca 0.01 0.81 -0.09 0.00 1.31 0.00 0.00 55.95 57.99 2kh2 s SER 43 Cb -0.13 -2.33 0.03 0.00 0.21 0.00 0.00 66.02 63.80 2kh2 s SER 43 CO 0.02 -0.21 0.17 -0.04 0.41 0.00 0.00 173.24 173.59 2kh2 s MET 44 N 1.62 2.79 -0.03 12.44 -1.94 0.52 -2.52 119.30 132.18 2kh2 s MET 44 Ca 0.28 -1.09 -0.10 0.00 -1.71 0.00 0.00 55.69 53.07 2kh2 s MET 44 Cb -0.16 -3.63 -0.05 0.00 2.01 0.00 0.00 34.83 33.01 2kh2 s MET 44 CO 0.11 -0.67 0.28 -1.12 -0.01 0.00 0.00 175.02 173.61 2kh2 s SER 45 N 1.51 6.58 -0.77 3.03 0.01 -1.10 -1.40 113.70 121.55 2kh2 s SER 45 Ca 0.01 0.69 -0.23 0.00 1.31 0.00 0.00 55.95 57.73 2kh2 s SER 45 Cb -0.19 -2.15 0.07 0.00 0.21 0.00 0.00 66.02 63.96 2kh2 s SER 45 CO 0.05 0.33 1.13 -0.36 0.41 0.00 0.00 173.24 174.79 2kh2 s PHE 46 N -1.14 2.64 0.25 2.43 0.08 0.33 -1.22 117.98 121.36 2kh2 s PHE 46 Ca 0.22 -0.62 -0.00 0.00 0.12 0.00 0.00 56.93 56.65 2kh2 s PHE 46 Cb -0.14 -4.42 0.05 0.00 -0.57 0.00 0.00 43.02 37.94 2kh2 s PHE 46 CO 0.11 -1.76 0.35 1.33 -0.10 0.00 0.00 175.22 175.15 2kh2 n VAL 47 N 6.08 0.00 -4.09 -0.44 0.24 -1.02 -4.61 118.33 114.48 2kh2 n VAL 47 Ca 0.07 -0.55 -0.34 0.00 -2.04 0.00 0.00 64.34 61.49 2kh2 n VAL 47 Cb 0.48 -1.21 -0.07 0.00 -1.47 0.00 0.00 33.84 31.57 2kh2 n VAL 47 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2kh2 s GLN 48 N -3.33 3.13 0.00 7.34 2.00 -1.12 -4.79 119.66 122.89 2kh2 s GLN 48 Ca 0.23 -0.42 0.00 0.00 -2.00 0.00 0.00 55.36 53.17 2kh2 s GLN 48 Cb -0.01 -2.91 0.00 0.00 0.80 0.00 0.00 33.01 30.89 2kh2 s GLN 48 CO 0.15 0.67 0.00 0.41 -0.50 0.00 0.00 175.29 176.03 2kh2 n GLY 49 N 1.37 -0.46 3.58 2.59 0.00 -1.26 -4.88 105.19 106.13 2kh2 n GLY 49 Ca -0.14 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.73 3.53 0.01 1.61 2.56 -1.26 -4.98 118.70 118.44 2kh2 s GLU 50 Ca 0.00 0.26 0.06 0.00 0.00 0.00 0.00 54.97 55.28 2kh2 s GLU 50 Cb 0.00 -4.00 -0.03 0.00 2.00 0.00 0.00 34.13 32.10 2kh2 s GLU 50 CO 0.00 -1.63 -0.15 -2.00 -0.56 0.00 0.00 175.26 170.91 2kh2 s GLU 51 N 4.84 2.27 0.00 4.30 2.12 -1.26 -3.58 118.70 127.38 2kh2 s GLU 51 Ca 0.43 -0.86 0.00 0.00 0.36 0.00 0.00 54.97 54.90 2kh2 s GLU 51 Cb -0.08 -2.28 0.00 0.00 0.26 0.00 0.00 34.13 32.03 2kh2 s GLU 51 CO 0.26 0.57 0.00 -1.13 -0.54 0.00 0.00 175.26 174.42 2kh2 n SER 52 N 1.77 0.00 0.03 -1.70 3.41 0.24 -4.99 113.62 112.39 2kh2 n SER 52 Ca -0.16 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.54 2kh2 n SER 52 Cb 0.52 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 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 0.00 0.35 -0.19 4.04 5.15 -1.26 -4.28 115.26 119.07 2kh2 n ASN 53 Ca 0.00 0.14 0.02 0.00 -0.60 0.00 0.00 54.58 54.14 2kh2 n ASN 53 Cb 0.00 1.31 0.02 0.00 -0.53 0.00 0.00 39.78 40.57 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 -2.46 1.38 -3.71 1.20 5.75 -1.26 -4.96 116.55 112.48 2kh2 n ASP 54 Ca -0.04 -1.19 -0.16 0.00 -0.01 0.00 0.00 54.79 53.38 2kh2 n ASP 54 Cb 0.60 0.02 -0.16 0.00 -1.03 0.00 0.00 41.12 40.55 2kh2 n ASP 54 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2kh2 s LYS 55 N -0.42 0.00 -0.08 0.11 2.20 -1.26 -2.05 119.74 118.26 2kh2 s LYS 55 Ca 0.06 0.39 0.02 0.00 -0.36 0.00 0.00 55.97 56.08 2kh2 s LYS 55 Cb 0.04 -0.31 0.01 0.00 -1.51 0.00 0.00 37.83 36.07 2kh2 s LYS 55 CO 0.06 -0.25 -0.12 0.42 -0.36 0.00 0.00 175.35 175.10 2kh2 s ILE 56 N 1.75 1.17 -0.43 5.43 -1.09 -0.89 -0.59 121.20 126.55 2kh2 s ILE 56 Ca -0.02 -0.48 -0.29 0.00 -2.23 0.00 0.00 60.65 57.64 2kh2 s ILE 56 Cb -0.12 -1.08 0.02 0.00 -1.58 0.00 0.00 42.46 39.69 2kh2 s ILE 56 CO -0.05 0.37 1.27 -2.16 -1.23 0.00 0.00 174.94 173.14 2kh2 s PRO 57 N 0.84 3.70 0.08 2.79 0.04 -1.23 -0.78 135.00 140.43 2kh2 s PRO 57 Ca -0.11 0.81 0.04 0.00 0.04 0.00 0.00 61.00 61.78 2kh2 s PRO 57 Cb -0.15 -3.95 -0.03 0.00 0.04 0.00 0.00 34.50 30.41 2kh2 s PRO 57 CO 0.02 -1.41 -0.11 0.14 0.04 0.00 0.00 177.00 175.67 2kh2 s VAL 58 N 4.82 0.97 0.12 -0.36 -7.23 -0.22 -2.44 120.40 116.06 2kh2 s VAL 58 Ca 0.54 -1.46 -0.03 0.00 -1.81 0.00 0.00 61.98 59.23 2kh2 s VAL 58 Cb -0.11 -1.17 -0.05 0.00 0.56 0.00 0.00 36.38 35.61 2kh2 s VAL 58 CO 0.30 -0.41 0.32 0.00 -0.31 0.00 0.00 175.10 175.00 2kh2 s ALA 59 N -1.88 3.88 -0.27 1.32 0.00 -0.35 -0.33 121.76 124.12 2kh2 s ALA 59 Ca 0.01 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.29 2kh2 s ALA 59 Cb -0.06 -2.00 0.08 0.00 0.00 0.00 0.00 23.12 21.13 2kh2 s ALA 59 CO 0.01 0.70 -0.00 -0.51 0.00 0.00 0.00 175.76 175.96 2kh2 s LEU 60 N -2.69 3.06 0.16 0.00 1.43 -1.25 -2.72 118.68 116.66 2kh2 s LEU 60 Ca 0.39 -1.50 0.05 0.00 -1.03 0.00 0.00 54.13 52.03 2kh2 s LEU 60 Cb -0.12 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 2kh2 s LEU 60 CO 0.26 -0.30 -0.11 -0.83 0.23 0.00 0.00 176.35 175.60 2kh2 s GLY 61 N 1.31 1.14 0.18 -3.19 0.00 -1.05 -1.17 107.32 104.55 2kh2 s GLY 61 Ca 0.01 -1.53 -0.30 0.00 0.00 0.00 0.00 44.72 42.90 2kh2 s GLY 61 CO -0.10 -1.63 1.10 1.08 0.00 0.00 0.00 173.10 173.55 2kh2 s LEU 62 N -3.20 4.49 -0.23 0.66 1.02 -0.33 -0.25 118.68 120.85 2kh2 s LEU 62 Ca 0.18 2.10 -0.33 0.00 0.02 0.00 0.00 54.13 56.10 2kh2 s LEU 62 Cb 0.02 -3.61 -0.09 0.00 0.02 0.00 0.00 46.19 42.53 2kh2 s LEU 62 CO 0.02 -0.21 2.11 1.17 0.02 0.00 0.00 176.35 179.46 2kh2 n LYS 63 N 2.30 1.69 -1.22 1.70 4.81 -0.67 -1.30 118.16 125.48 2kh2 n LYS 63 Ca 0.02 0.52 -0.08 0.00 -0.87 0.00 0.00 58.31 57.91 2kh2 n LYS 63 Cb 0.46 -2.77 -0.03 0.00 0.02 0.00 0.00 35.03 32.71 2kh2 n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2kh2 n GLU 64 N 7.94 -0.85 -4.37 1.64 1.02 -1.26 -5.01 120.64 119.75 2kh2 n GLU 64 Ca 0.32 0.69 -0.28 0.00 -0.02 0.00 0.00 57.16 57.88 2kh2 n GLU 64 Cb 0.32 -4.60 -0.13 0.00 -0.02 0.00 0.00 31.44 27.01 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2kh2 s LYS 65 N -2.35 1.36 -0.12 3.49 1.02 -0.42 -5.02 119.74 117.71 2kh2 s LYS 65 Ca 0.00 -1.34 0.04 0.00 0.02 0.00 0.00 55.97 54.69 2kh2 s LYS 65 Cb 0.00 -1.78 0.28 0.00 -0.52 0.00 0.00 37.83 35.80 2kh2 s LYS 65 CO 0.00 0.42 1.11 0.27 -0.92 0.00 0.00 175.35 176.22 2kh2 n ASN 66 N 0.85 2.95 -4.48 2.83 6.94 -1.26 -4.40 115.26 118.69 2kh2 n ASN 66 Ca -0.18 -2.44 -0.36 0.00 -0.02 0.00 0.00 54.58 51.59 2kh2 n ASN 66 Cb 0.54 -0.59 -0.12 0.00 -2.36 0.00 0.00 39.78 37.24 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 -1.08 3.51 0.12 -4.53 1.43 -1.26 -0.89 118.68 115.98 2kh2 s LEU 67 Ca 0.20 -0.16 0.09 0.00 -1.03 0.00 0.00 54.13 53.23 2kh2 s LEU 67 Cb 0.16 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 2kh2 s LEU 67 CO 0.05 -0.00 -0.22 -0.31 0.23 0.00 0.00 176.35 176.10 2kh2 s TYR 68 N 1.43 1.93 -0.22 0.29 1.51 -0.43 -1.18 117.35 120.66 2kh2 s TYR 68 Ca 0.05 -0.41 -0.29 0.00 -1.01 0.00 0.00 57.07 55.41 2kh2 s TYR 68 Cb -0.15 -1.03 -0.02 0.00 -0.11 0.00 0.00 41.96 40.65 2kh2 s TYR 68 CO 0.04 0.27 1.48 -0.51 -1.11 0.00 0.00 175.55 175.72 2kh2 s LEU 69 N -2.10 3.96 -0.09 -1.29 1.43 -0.32 -0.81 118.68 119.46 2kh2 s LEU 69 Ca 0.10 1.55 0.01 0.00 -1.03 0.00 0.00 54.13 54.76 2kh2 s LEU 69 Cb -0.09 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 2kh2 s LEU 69 CO 0.05 -1.12 -0.11 -0.55 0.23 0.00 0.00 176.35 174.85 2kh2 s SER 70 N 3.44 4.21 -0.34 2.29 0.15 0.78 -4.36 113.70 119.87 2kh2 s SER 70 Ca 0.65 -0.20 -0.10 0.00 0.70 0.00 0.00 55.95 57.00 2kh2 s SER 70 Cb -0.23 -1.27 0.01 0.00 -1.71 0.00 0.00 66.02 62.83 2kh2 s SER 70 CO 0.26 0.27 0.17 0.00 1.20 0.00 0.00 173.24 175.13 2kh2 s VAL 72 N 1.56 0.23 -0.23 0.00 -7.23 -0.69 -4.67 120.40 109.36 2kh2 s VAL 72 Ca 0.03 -1.93 -0.20 0.00 -1.81 0.00 0.00 61.98 58.07 2kh2 s VAL 72 Cb -0.18 -2.10 -0.02 0.00 0.56 0.00 0.00 36.38 34.64 2kh2 s VAL 72 CO 0.06 -0.43 0.61 -0.76 -0.31 0.00 0.00 175.10 174.26 2kh2 s LEU 73 N -3.09 4.09 -0.33 1.32 1.43 -1.26 0.27 118.68 121.12 2kh2 s LEU 73 Ca 0.25 0.72 0.04 0.00 -1.03 0.00 0.00 54.13 54.11 2kh2 s LEU 73 Cb 0.07 -2.83 0.09 0.00 0.03 0.00 0.00 46.19 43.56 2kh2 s LEU 73 CO 0.03 -0.32 0.03 -0.54 0.23 0.00 0.00 176.35 175.78 2kh2 s LYS 74 N 2.24 1.56 -0.75 1.70 1.02 0.83 -4.76 119.74 121.59 2kh2 s LYS 74 Ca 0.26 -1.79 -0.04 0.00 0.02 0.00 0.00 55.97 54.42 2kh2 s LYS 74 Cb -0.16 -3.14 -0.05 0.00 -0.52 0.00 0.00 37.83 33.97 2kh2 s LYS 74 CO 0.09 -0.89 0.66 -3.47 -0.92 0.00 0.00 175.35 170.82 2kh2 n ASP 75 N 4.29 -5.45 -1.83 2.83 -0.08 -1.26 -3.31 116.55 111.74 2kh2 n ASP 75 Ca 0.01 -0.49 -0.20 0.00 -1.51 0.00 0.00 54.79 52.60 2kh2 n ASP 75 Cb 0.42 -3.95 -0.06 0.00 2.34 0.00 0.00 41.12 39.87 2kh2 n ASP 75 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2kh2 n ASP 76 N -2.68 -5.50 -3.74 1.67 4.64 -1.26 -4.96 116.55 104.72 2kh2 n ASP 76 Ca -0.05 0.36 -0.13 0.00 -1.38 0.00 0.00 54.79 53.59 2kh2 n ASP 76 Cb 0.58 -4.78 -0.14 0.00 -1.04 0.00 0.00 41.12 35.74 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 2kh2 s LYS 77 N -4.11 0.13 -0.06 -0.67 2.47 -1.21 -5.12 119.74 111.17 2kh2 s LYS 77 Ca 0.00 0.44 -0.29 0.00 -1.56 0.00 0.00 55.97 54.55 2kh2 s LYS 77 Cb 0.00 -0.16 -0.06 0.00 -1.46 0.00 0.00 37.83 36.14 2kh2 s LYS 77 CO 0.00 -0.17 1.84 -2.14 0.16 0.00 0.00 175.35 175.04 2kh2 s PRO 78 N 1.27 3.98 0.04 4.03 0.02 -1.26 -0.12 135.00 142.96 2kh2 s PRO 78 Ca -0.09 2.26 0.04 0.00 0.02 0.00 0.00 61.00 63.23 2kh2 s PRO 78 Cb -0.11 -4.11 -0.02 0.00 0.02 0.00 0.00 34.50 30.28 2kh2 s PRO 78 CO -0.07 -1.11 -0.11 0.99 -0.33 0.00 0.00 177.00 176.37 2kh2 s THR 79 N 4.89 0.86 0.24 0.99 2.01 0.14 -4.65 115.64 120.12 2kh2 s THR 79 Ca 0.82 -0.92 -0.17 0.00 0.31 0.00 0.00 61.69 61.73 2kh2 s THR 79 Cb -0.36 -0.81 -0.08 0.00 0.01 0.00 0.00 72.50 71.26 2kh2 s THR 79 CO 0.35 -0.09 0.70 -0.22 -0.69 0.00 0.00 174.62 174.67 2kh2 s LEU 80 N -1.13 4.25 0.23 4.42 2.96 -1.26 -1.71 118.68 126.44 2kh2 s LEU 80 Ca -0.01 1.31 -0.14 0.00 -0.22 0.00 0.00 54.13 55.07 2kh2 s LEU 80 Cb -0.08 -3.70 0.00 0.00 0.50 0.00 0.00 46.19 42.91 2kh2 s LEU 80 CO 0.01 -0.04 0.49 0.00 -1.32 0.00 0.00 176.35 175.50 2kh2 s GLN 81 N -2.32 1.51 -0.35 1.98 -2.07 0.23 -4.89 119.66 113.75 2kh2 s GLN 81 Ca 0.46 -1.15 -0.12 0.00 -1.82 0.00 0.00 55.36 52.73 2kh2 s GLN 81 Cb -0.14 0.49 -0.01 0.00 -1.09 0.00 0.00 33.01 32.26 2kh2 s GLN 81 CO 0.20 -0.63 0.23 -0.51 -1.32 0.00 0.00 175.29 173.25 2kh2 s LEU 82 N -2.98 4.54 -0.10 2.60 2.01 -1.26 -0.16 118.68 123.34 2kh2 s LEU 82 Ca 0.18 -0.55 -0.02 0.00 0.01 0.00 0.00 54.13 53.75 2kh2 s LEU 82 Cb -0.01 -2.11 -0.03 0.00 0.01 0.00 0.00 46.19 44.05 2kh2 s LEU 82 CO 0.06 -0.27 0.00 -0.70 1.01 0.00 0.00 176.35 176.45 2kh2 s GLU 83 N 1.68 3.11 -0.27 1.70 2.12 0.01 -4.90 118.70 122.15 2kh2 s GLU 83 Ca 0.05 -0.41 -0.23 0.00 0.36 0.00 0.00 54.97 54.74 2kh2 s GLU 83 Cb -0.18 -2.83 -0.01 0.00 0.26 0.00 0.00 34.13 31.38 2kh2 s GLU 83 CO 0.09 0.63 0.78 -1.12 -0.54 0.00 0.00 175.26 175.10 2kh2 s SER 84 N -0.69 6.71 0.24 -1.70 0.01 -1.26 -1.32 113.70 115.70 2kh2 s SER 84 Ca 0.11 0.82 0.10 0.00 1.31 0.00 0.00 55.95 58.29 2kh2 s SER 84 Cb -0.12 -2.41 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 2kh2 s SER 84 CO 0.02 -0.53 -0.08 0.68 0.41 0.00 0.00 173.24 173.74 2kh2 s VAL 85 N 2.83 3.14 -0.14 3.43 -7.23 -0.07 -5.02 120.40 117.34 2kh2 s VAL 85 Ca 0.32 -1.94 -0.29 0.00 -1.81 0.00 0.00 61.98 58.26 2kh2 s VAL 85 Cb -0.15 -2.63 -0.06 0.00 0.56 0.00 0.00 36.38 34.10 2kh2 s VAL 85 CO 0.10 -0.29 2.10 -0.62 -0.31 0.00 0.00 175.10 176.07 2kh2 s ASP 86 N -3.36 5.83 0.64 4.85 3.68 -1.26 -4.80 116.67 122.24 2kh2 s ASP 86 Ca 0.29 2.12 0.41 0.00 2.13 0.00 0.00 52.55 57.50 2kh2 s ASP 86 Cb -0.07 -2.52 2.19 0.00 -1.45 0.00 0.00 42.92 41.08 2kh2 s ASP 86 CO 0.17 -1.63 2.30 1.55 0.13 0.00 0.00 175.17 177.69 2kh2 h PRO 87 N 13.36 0.00 0.00 4.34 0.13 -1.92 0.03 132.00 147.95 2kh2 h PRO 87 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2kh2 h PRO 87 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kh2 h PRO 87 CO 0.96 0.01 -1.24 0.36 -0.23 0.00 0.00 178.00 177.85 2kh2 n LYS 88 N -3.17 0.52 -0.00 0.86 2.85 -1.26 -4.07 118.16 113.89 2kh2 n LYS 88 Ca -0.02 0.01 0.08 0.00 -1.05 0.00 0.00 58.31 57.32 2kh2 n LYS 88 Cb 0.11 -1.68 0.07 0.00 -0.65 0.00 0.00 35.03 32.88 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 -2.35 2.34 -4.08 -5.58 3.02 -0.67 -4.96 115.26 102.98 2kh2 n ASN 89 Ca -0.00 -1.67 -0.17 0.00 -0.03 0.00 0.00 54.58 52.71 2kh2 n ASN 89 Cb 0.52 -0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.56 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 -1.32 0.90 0.73 3.10 1.51 -0.09 -4.49 117.35 117.69 2kh2 s TYR 90 Ca 0.19 -0.35 -0.08 0.00 -1.01 0.00 0.00 57.07 55.82 2kh2 s TYR 90 Cb 0.13 -0.54 0.16 0.00 -0.11 0.00 0.00 41.96 41.60 2kh2 s TYR 90 CO 0.20 -0.01 1.00 -0.35 -1.11 0.00 0.00 175.55 175.28 2kh2 n PRO 91 N 1.96 -0.60 -3.88 -1.71 -0.04 -1.26 -4.69 135.00 124.78 2kh2 n PRO 91 Ca -0.19 -2.00 -0.09 0.00 -0.04 0.00 0.00 63.50 61.19 2kh2 n PRO 91 Cb 0.55 -0.89 -0.07 0.00 -0.04 0.00 0.00 33.50 33.06 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 -5.11 0.98 0.19 0.54 -2.85 -1.26 -5.06 119.74 107.17 2kh2 s LYS 92 Ca 0.60 -1.02 -0.08 0.00 -1.00 0.00 0.00 55.97 54.48 2kh2 s LYS 92 Cb -0.02 0.37 0.10 0.00 -2.06 0.00 0.00 37.83 36.22 2kh2 s LYS 92 CO 0.41 -0.34 1.65 -0.22 0.10 0.00 0.00 175.35 176.96 2kh2 h LYS 93 N 2.64 1.04 -3.81 1.78 3.64 -1.94 -3.35 116.57 116.57 2kh2 h LYS 93 Ca -0.33 -0.33 -0.76 0.00 -1.27 0.00 0.00 60.65 57.96 2kh2 h LYS 93 Cb 1.21 -0.09 -0.29 0.00 -0.41 0.00 0.00 32.23 32.65 2kh2 h LYS 93 CO 0.52 1.02 -0.09 0.21 -2.27 0.00 0.00 179.45 178.85 2kh2 s LYS 94 N -5.00 3.20 0.54 1.90 2.47 -1.26 -2.79 119.74 118.80 2kh2 s LYS 94 Ca -0.11 -2.39 -0.05 0.00 -1.56 0.00 0.00 55.97 51.86 2kh2 s LYS 94 Cb 0.14 -4.19 -0.01 0.00 -1.46 0.00 0.00 37.83 32.31 2kh2 s LYS 94 CO 0.85 -1.25 0.84 -1.64 0.16 0.00 0.00 175.35 174.31 2kh2 s MET 95 N 0.27 3.12 0.57 4.03 -1.94 -1.26 -5.05 119.30 119.05 2kh2 s MET 95 Ca 0.16 -0.01 -0.19 0.00 -1.71 0.00 0.00 55.69 53.94 2kh2 s MET 95 Cb -0.15 -2.34 -0.04 0.00 2.01 0.00 0.00 34.83 34.30 2kh2 s MET 95 CO -0.06 -0.50 1.17 -1.21 -0.01 0.00 0.00 175.02 174.41 2kh2 s GLU 96 N -4.86 3.13 0.63 2.03 8.01 -1.26 -4.83 118.70 121.54 2kh2 s GLU 96 Ca 0.51 1.72 0.35 0.00 0.01 0.00 0.00 54.97 57.56 2kh2 s GLU 96 Cb -0.10 -1.96 2.00 0.00 -4.31 0.00 0.00 34.13 29.76 2kh2 s GLU 96 CO 0.44 -1.05 2.23 0.87 0.01 0.00 0.00 175.26 177.76 2kh2 h LYS 97 N 0.99 0.00 0.00 1.61 1.57 -1.96 0.21 116.57 118.99 2kh2 h LYS 97 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2kh2 h LYS 97 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2kh2 h LYS 97 CO 0.56 0.00 0.00 2.89 -0.57 0.00 0.00 179.45 182.33 2kh2 n ARG 98 N -3.44 0.14 0.00 3.15 1.85 -1.26 -2.91 116.66 114.20 2kh2 n ARG 98 Ca -0.02 0.04 0.02 0.00 -1.00 0.00 0.00 57.85 56.90 2kh2 n ARG 98 Cb 0.17 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.09 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 -1.42 0.00 -3.47 2.89 3.72 0.71 -0.34 117.46 119.55 2kh2 n PHE 99 Ca 0.09 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.10 2kh2 n PHE 99 Cb 0.27 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.71 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 -0.41 5.23 0.03 -4.37 1.01 -0.94 -3.86 120.40 117.09 2kh2 s VAL 100 Ca 0.05 0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.39 2kh2 s VAL 100 Cb 0.03 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2kh2 s VAL 100 CO 0.06 0.16 0.01 -0.36 0.00 0.00 0.00 175.10 174.97 2kh2 s PHE 101 N 1.93 3.07 -0.54 5.22 0.08 0.55 -2.42 117.98 125.87 2kh2 s PHE 101 Ca 0.11 0.06 -0.17 0.00 0.12 0.00 0.00 56.93 57.05 2kh2 s PHE 101 Cb -0.16 -1.63 0.12 0.00 -0.57 0.00 0.00 43.02 40.77 2kh2 s PHE 101 CO 0.11 0.47 0.53 -0.80 -0.10 0.00 0.00 175.22 175.43 2kh2 s ASN 102 N -1.81 6.18 -0.77 1.36 0.02 0.24 -1.05 114.94 119.11 2kh2 s ASN 102 Ca 0.22 -1.65 -0.26 0.00 -1.02 0.00 0.00 52.86 50.15 2kh2 s ASN 102 Cb -0.12 -2.23 -0.00 0.00 0.02 0.00 0.00 41.25 38.92 2kh2 s ASN 102 CO 0.13 -0.88 1.68 -0.75 0.02 0.00 0.00 177.10 177.29 2kh2 s LYS 103 N 1.83 2.89 0.02 -0.60 2.20 0.04 -1.61 119.74 124.51 2kh2 s LYS 103 Ca 0.05 -0.07 -0.12 0.00 -0.36 0.00 0.00 55.97 55.47 2kh2 s LYS 103 Cb -0.28 -4.64 -0.06 0.00 -1.51 0.00 0.00 37.83 31.35 2kh2 s LYS 103 CO 0.04 -2.66 0.38 0.42 -0.36 0.00 0.00 175.35 173.18 2kh2 s ILE 104 N 7.88 5.09 -0.42 5.43 1.01 0.61 -2.10 121.20 138.69 2kh2 s ILE 104 Ca 0.57 0.65 0.02 0.00 0.00 0.00 0.00 60.65 61.88 2kh2 s ILE 104 Cb -0.08 -3.66 0.14 0.00 0.01 0.00 0.00 42.46 38.86 2kh2 s ILE 104 CO 0.10 0.48 0.24 -1.83 0.00 0.00 0.00 174.94 173.93 2kh2 s GLU 105 N -1.38 1.05 0.07 2.79 -1.05 -0.87 0.38 118.70 119.69 2kh2 s GLU 105 Ca 0.26 -1.83 -0.23 0.00 -0.15 0.00 0.00 54.97 53.03 2kh2 s GLU 105 Cb -0.15 -1.95 -0.15 0.00 -0.44 0.00 0.00 34.13 31.43 2kh2 s GLU 105 CO 0.14 -1.20 1.63 -0.84 0.95 0.00 0.00 175.26 175.95 2kh2 h ILE 106 N 5.10 1.10 0.00 1.83 3.07 -1.87 -3.48 117.51 123.26 2kh2 h ILE 106 Ca 0.04 -0.29 0.00 0.00 1.55 0.00 0.00 64.86 66.15 2kh2 h ILE 106 Cb 0.93 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 38.73 2kh2 h ILE 106 CO 0.41 0.08 0.00 -0.46 -1.05 0.00 0.00 178.15 177.13 2kh2 n ASN 107 N -5.01 0.00 0.04 2.16 0.23 -1.26 -4.99 115.26 106.43 2kh2 n ASN 107 Ca -0.07 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.10 2kh2 n ASN 107 Cb 0.09 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 37.79 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 0.60 -4.89 0.53 3.02 -1.26 -4.88 115.26 108.38 2kh2 n ASN 108 Ca 0.00 -0.11 -0.35 0.00 -0.03 0.00 0.00 54.58 54.09 2kh2 n ASN 108 Cb 0.00 0.83 -0.05 0.00 -0.61 0.00 0.00 39.78 39.95 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2kh2 s LYS 109 N -3.25 3.43 -0.06 3.52 -0.14 -1.26 -4.93 119.74 117.05 2kh2 s LYS 109 Ca 0.02 -0.24 0.03 0.00 -1.36 0.00 0.00 55.97 54.42 2kh2 s LYS 109 Cb 0.14 -3.13 -0.03 0.00 -1.68 0.00 0.00 37.83 33.13 2kh2 s LYS 109 CO 0.81 0.72 -0.12 -0.51 -0.76 0.00 0.00 175.35 175.49 2kh2 s LEU 110 N -1.52 2.87 0.06 3.17 1.02 -0.00 -3.42 118.68 120.85 2kh2 s LEU 110 Ca 0.22 -0.14 0.08 0.00 0.02 0.00 0.00 54.13 54.30 2kh2 s LEU 110 Cb -0.12 -1.60 -0.03 0.00 0.02 0.00 0.00 46.19 44.46 2kh2 s LEU 110 CO 0.12 0.35 -0.19 -1.61 0.02 0.00 0.00 176.35 175.04 2kh2 s GLU 111 N -0.74 2.00 -0.52 1.70 2.02 0.16 0.02 118.70 123.34 2kh2 s GLU 111 Ca 0.11 -1.03 -0.03 0.00 0.02 0.00 0.00 54.97 54.05 2kh2 s GLU 111 Cb -0.11 -2.16 0.14 0.00 0.10 0.00 0.00 34.13 32.10 2kh2 s GLU 111 CO 0.01 0.53 0.33 -0.06 0.02 0.00 0.00 175.26 176.08 2kh2 s PHE 112 N -0.96 3.49 0.24 1.61 0.08 -1.26 -0.29 117.98 120.89 2kh2 s PHE 112 Ca 0.15 -2.59 -0.15 0.00 0.12 0.00 0.00 56.93 54.47 2kh2 s PHE 112 Cb -0.10 -3.20 -0.08 0.00 -0.57 0.00 0.00 43.02 39.06 2kh2 s PHE 112 CO 0.06 -0.90 0.65 -2.00 -0.10 0.00 0.00 175.22 172.93 2kh2 s GLU 113 N 0.50 4.01 -0.01 0.44 2.12 -0.64 -1.54 118.70 123.59 2kh2 s GLU 113 Ca 0.13 0.60 -0.28 0.00 0.36 0.00 0.00 54.97 55.77 2kh2 s GLU 113 Cb -0.22 -2.69 -0.03 0.00 0.26 0.00 0.00 34.13 31.45 2kh2 s GLU 113 CO -0.04 0.32 0.90 0.45 -0.54 0.00 0.00 175.26 176.35 2kh2 s SER 114 N -2.02 7.28 0.17 -1.70 0.15 0.25 0.81 113.70 118.65 2kh2 s SER 114 Ca 0.46 1.55 -0.10 0.00 0.70 0.00 0.00 55.95 58.56 2kh2 s SER 114 Cb -0.13 -2.53 0.05 0.00 -1.71 0.00 0.00 66.02 61.71 2kh2 s SER 114 CO 0.19 -0.20 1.63 0.00 1.20 0.00 0.00 173.24 176.06 2kh2 h ALA 115 N 6.64 0.79 -0.32 5.45 0.00 -1.69 -2.97 119.26 127.16 2kh2 h ALA 115 Ca -0.41 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.05 2kh2 h ALA 115 Cb 1.21 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2kh2 h ALA 115 CO 0.75 0.63 -0.36 0.37 0.00 0.00 0.00 179.25 180.63 2kh2 h GLN 116 N 0.92 0.74 -3.52 0.00 5.75 -1.80 -3.39 115.11 113.82 2kh2 h GLN 116 Ca 0.16 -0.36 -0.64 0.00 -0.15 0.00 0.00 58.65 57.66 2kh2 h GLN 116 Cb 0.56 0.00 -0.41 0.00 1.07 0.00 0.00 27.48 28.71 2kh2 h GLN 116 CO 0.03 0.98 -0.66 -0.06 -2.65 0.00 0.00 178.83 176.47 2kh2 s PHE 117 N -4.36 3.03 0.57 3.99 0.08 -1.13 -5.11 117.98 115.05 2kh2 s PHE 117 Ca -0.09 -2.99 -0.21 0.00 0.12 0.00 0.00 56.93 53.77 2kh2 s PHE 117 Cb 0.12 -2.65 -0.04 0.00 -0.57 0.00 0.00 43.02 39.88 2kh2 s PHE 117 CO 0.85 -0.78 1.30 -2.14 -0.10 0.00 0.00 175.22 174.34 2kh2 s PRO 118 N 0.05 3.05 0.00 0.24 0.02 -1.19 -2.47 135.00 134.70 2kh2 s PRO 118 Ca 0.16 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.25 2kh2 s PRO 118 Cb -0.24 -2.13 0.00 0.00 0.02 0.00 0.00 34.50 32.15 2kh2 s PRO 118 CO -0.02 -1.21 0.00 0.09 -0.33 0.00 0.00 177.00 175.53 2kh2 n ASN 119 N -1.26 0.00 -4.41 2.53 5.03 -1.26 -4.98 115.26 110.92 2kh2 n ASN 119 Ca 0.12 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.18 2kh2 n ASN 119 Cb 0.47 -0.14 -0.12 0.00 -1.02 0.00 0.00 39.78 38.96 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 -3.20 3.18 0.28 3.10 0.52 -1.03 -4.19 118.94 117.59 2kh2 s TRP 120 Ca 0.00 -0.72 0.11 0.00 0.02 0.00 0.00 56.10 55.51 2kh2 s TRP 120 Cb 0.00 -2.33 -0.05 0.00 -1.15 0.00 0.00 33.47 29.94 2kh2 s TRP 120 CO 0.00 -0.51 -0.19 0.71 0.02 0.00 0.00 176.95 176.99 2kh2 s TYR 121 N 1.57 2.24 -0.04 -1.98 2.02 0.46 -0.58 117.35 121.03 2kh2 s TYR 121 Ca 0.04 -0.37 -0.30 0.00 -0.37 0.00 0.00 57.07 56.07 2kh2 s TYR 121 Cb -0.17 -1.00 -0.05 0.00 -0.40 0.00 0.00 41.96 40.33 2kh2 s TYR 121 CO 0.05 0.67 1.59 0.42 -1.57 0.00 0.00 175.55 176.71 2kh2 s ILE 122 N -2.57 3.59 0.15 2.71 1.01 -0.59 -0.30 121.20 125.21 2kh2 s ILE 122 Ca 0.29 0.79 0.08 0.00 0.00 0.00 0.00 60.65 61.82 2kh2 s ILE 122 Cb -0.04 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 2kh2 s ILE 122 CO 0.14 -0.05 -0.18 -0.44 0.00 0.00 0.00 174.94 174.41 2kh2 s SER 123 N 2.96 2.59 0.12 3.58 0.01 0.37 -4.61 113.70 118.72 2kh2 s SER 123 Ca 0.71 -0.84 0.06 0.00 1.31 0.00 0.00 55.95 57.19 2kh2 s SER 123 Cb -0.33 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 65.72 2kh2 s SER 123 CO 0.28 -0.04 -0.15 0.42 0.41 0.00 0.00 173.24 174.16 2kh2 s THR 124 N -1.99 1.37 0.54 1.44 -4.23 -0.63 -2.52 115.64 109.63 2kh2 s THR 124 Ca 0.14 -1.68 -0.02 0.00 -1.18 0.00 0.00 61.69 58.94 2kh2 s THR 124 Cb -0.06 -1.52 0.01 0.00 1.34 0.00 0.00 72.50 72.28 2kh2 s THR 124 CO 0.06 -0.37 0.80 -0.44 -0.54 0.00 0.00 174.62 174.13 2kh2 s SER 125 N -2.37 5.58 0.35 3.99 0.01 -1.26 -0.10 113.70 119.89 2kh2 s SER 125 Ca 0.08 0.42 0.18 0.00 1.31 0.00 0.00 55.95 57.94 2kh2 s SER 125 Cb -0.06 -1.47 0.41 0.00 0.21 0.00 0.00 66.02 65.11 2kh2 s SER 125 CO 0.03 -0.98 1.60 1.56 0.41 0.00 0.00 173.24 175.87 2kh2 h GLN 126 N 0.05 0.00 -7.01 12.44 1.08 -1.95 -3.46 115.11 116.26 2kh2 h GLN 126 Ca -0.45 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.26 2kh2 h GLN 126 Cb 1.27 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 28.74 2kh2 h GLN 126 CO 0.58 0.38 0.44 0.00 -0.95 0.00 0.00 178.83 179.28 2kh2 s ALA 127 N -3.26 2.95 0.43 3.87 0.00 -1.26 -5.02 121.76 119.47 2kh2 s ALA 127 Ca 0.03 0.79 -0.19 0.00 0.00 0.00 0.00 51.96 52.59 2kh2 s ALA 127 Cb 0.09 -3.32 -0.10 0.00 0.00 0.00 0.00 23.12 19.78 2kh2 s ALA 127 CO 0.70 -0.48 0.92 -2.00 0.00 0.00 0.00 175.76 174.91 2kh2 s GLU 128 N -2.82 4.13 -0.93 0.00 2.56 -1.26 -3.93 118.70 116.46 2kh2 s GLU 128 Ca 0.64 1.01 0.00 0.00 0.00 0.00 0.00 54.97 56.62 2kh2 s GLU 128 Cb -0.24 -2.21 0.00 0.00 2.00 0.00 0.00 34.13 33.68 2kh2 s GLU 128 CO 0.29 -0.05 0.00 -1.71 -0.56 0.00 0.00 175.26 173.22 2kh2 n ASN 129 N -0.81 -3.56 -4.88 -1.70 5.15 -1.15 -5.02 115.26 103.29 2kh2 n ASN 129 Ca 0.06 -0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.68 2kh2 n ASN 129 Cb 0.54 -2.79 -0.06 0.00 -0.53 0.00 0.00 39.78 36.95 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 -4.51 3.47 0.92 1.20 -1.94 -1.17 -4.86 119.30 112.41 2kh2 s MET 130 Ca 0.00 -0.14 -0.12 0.00 -1.71 0.00 0.00 55.69 53.71 2kh2 s MET 130 Cb 0.00 -3.16 0.14 0.00 2.01 0.00 0.00 34.83 33.82 2kh2 s MET 130 CO 0.00 0.74 1.11 -2.14 -0.01 0.00 0.00 175.02 174.72 2kh2 s PRO 131 N -1.28 1.05 -0.10 2.03 0.02 -1.26 0.12 135.00 135.57 2kh2 s PRO 131 Ca 0.19 0.51 -0.15 0.00 0.02 0.00 0.00 61.00 61.57 2kh2 s PRO 131 Cb -0.12 -1.81 -0.05 0.00 0.02 0.00 0.00 34.50 32.54 2kh2 s PRO 131 CO 0.09 -2.31 0.37 0.08 -0.33 0.00 0.00 177.00 174.90 2kh2 s VAL 132 N -3.09 5.20 0.29 3.83 1.01 -0.92 -4.65 120.40 122.08 2kh2 s VAL 132 Ca 0.64 0.73 0.04 0.00 0.00 0.00 0.00 61.98 63.39 2kh2 s VAL 132 Cb -0.17 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 2kh2 s VAL 132 CO 0.56 0.44 0.21 0.72 0.00 0.00 0.00 175.10 177.03 2kh2 s PHE 133 N -0.05 1.58 -0.25 5.22 -0.71 -1.05 -4.85 117.98 117.87 2kh2 s PHE 133 Ca 0.21 -1.52 -0.11 0.00 -1.04 0.00 0.00 56.93 54.47 2kh2 s PHE 133 Cb -0.15 -0.72 -0.05 0.00 -1.21 0.00 0.00 43.02 40.90 2kh2 s PHE 133 CO 0.09 -0.73 0.17 -1.17 -1.34 0.00 0.00 175.22 172.24 2kh2 s LEU 134 N -3.33 4.09 0.11 -1.99 2.96 -1.26 -0.48 118.68 118.79 2kh2 s LEU 134 Ca 0.39 0.08 0.10 0.00 -0.22 0.00 0.00 54.13 54.48 2kh2 s LEU 134 Cb 0.04 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 2kh2 s LEU 134 CO 0.21 0.04 -0.24 -0.83 -1.32 0.00 0.00 176.35 174.22 2kh2 s GLY 135 N 1.21 1.60 -0.09 7.98 0.00 0.59 -4.90 107.32 113.72 2kh2 s GLY 135 Ca 0.07 -1.40 0.13 0.00 0.00 0.00 0.00 44.72 43.52 2kh2 s GLY 135 CO 0.06 -1.37 1.27 0.61 0.00 0.00 0.00 173.10 173.67 2kh2 n GLY 136 N 0.98 3.60 3.00 0.20 0.00 -1.26 -0.41 105.19 111.31 2kh2 n GLY 136 Ca -0.17 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 2kh2 n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kh2 s THR 137 N -1.98 2.80 0.08 2.61 2.01 -1.26 -4.88 115.64 115.02 2kh2 s THR 137 Ca 0.28 -3.00 -0.30 0.00 0.31 0.00 0.00 61.69 58.98 2kh2 s THR 137 Cb 0.21 -2.93 -0.05 0.00 0.01 0.00 0.00 72.50 69.74 2kh2 s THR 137 CO 0.09 -0.77 1.06 -0.75 -0.69 0.00 0.00 174.62 173.55 2kh2 s LYS 138 N 0.05 4.57 -0.39 4.92 2.20 -1.26 -3.34 119.74 126.49 2kh2 s LYS 138 Ca 0.15 1.58 0.00 0.00 -0.36 0.00 0.00 55.97 57.34 2kh2 s LYS 138 Cb -0.23 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 2kh2 s LYS 138 CO -0.02 -0.01 0.00 0.41 -0.36 0.00 0.00 175.35 175.37 2kh2 n GLY 139 N 2.62 0.57 0.00 5.54 0.00 -1.26 -5.03 105.19 107.64 2kh2 n GLY 139 Ca 0.05 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.18 0.93 0.14 -0.02 0.00 -1.21 -4.99 105.19 97.86 2kh2 n GLY 140 Ca -0.04 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 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 0.36 -7.49 1.61 7.50 -1.96 -3.47 115.11 111.66 2kh2 h GLN 141 Ca 0.00 -0.62 -0.44 0.00 0.50 0.00 0.00 58.65 58.09 2kh2 h GLN 141 Cb 0.00 0.23 0.16 0.00 0.05 0.00 0.00 27.48 27.92 2kh2 h GLN 141 CO 0.00 1.30 0.25 -0.51 -1.50 0.00 0.00 178.83 178.36 2kh2 s ASP 142 N -7.23 2.47 -0.22 1.46 1.01 -1.26 -4.69 116.67 108.20 2kh2 s ASP 142 Ca -0.18 0.79 -0.09 0.00 0.71 0.00 0.00 52.55 53.78 2kh2 s ASP 142 Cb 0.06 -1.19 -0.04 0.00 1.01 0.00 0.00 42.92 42.75 2kh2 s ASP 142 CO 0.83 -3.18 0.11 -0.63 0.21 0.00 0.00 175.17 172.51 2kh2 s ILE 143 N -3.23 4.93 -1.03 0.77 1.01 0.86 -4.74 121.20 119.76 2kh2 s ILE 143 Ca 0.68 0.03 0.09 0.00 0.00 0.00 0.00 60.65 61.44 2kh2 s ILE 143 Cb -0.12 -3.28 0.06 0.00 0.01 0.00 0.00 42.46 39.13 2kh2 s ILE 143 CO 0.55 0.38 0.74 0.35 0.00 0.00 0.00 174.94 176.95 2kh2 n THR 144 N 4.22 0.00 -4.68 2.92 -2.24 -1.26 -1.61 114.28 111.63 2kh2 n THR 144 Ca -0.16 -0.48 -0.32 0.00 -2.27 0.00 0.00 64.05 60.82 2kh2 n THR 144 Cb 0.52 1.17 -0.12 0.00 -2.10 0.00 0.00 70.33 69.80 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 -0.82 4.17 0.35 3.42 -4.77 -1.26 -4.49 116.67 113.26 2kh2 s ASP 145 Ca 0.10 -0.24 0.05 0.00 -3.30 0.00 0.00 52.55 49.16 2kh2 s ASP 145 Cb 0.07 -0.86 -0.03 0.00 -1.09 0.00 0.00 42.92 41.01 2kh2 s ASP 145 CO 0.13 0.30 0.21 -0.36 0.70 0.00 0.00 175.17 176.15 2kh2 s PHE 146 N -0.87 1.72 0.24 2.11 0.40 0.10 -3.62 117.98 118.06 2kh2 s PHE 146 Ca 0.14 -1.50 0.10 0.00 -0.60 0.00 0.00 56.93 55.07 2kh2 s PHE 146 Cb -0.11 -0.87 -0.05 0.00 0.51 0.00 0.00 43.02 42.51 2kh2 s PHE 146 CO 0.04 -0.64 -0.18 0.95 0.70 0.00 0.00 175.22 176.10 2kh2 s THR 147 N -3.42 2.12 -0.62 0.64 -4.23 0.31 -0.82 115.64 109.62 2kh2 s THR 147 Ca 0.34 -2.29 0.06 0.00 -1.18 0.00 0.00 61.69 58.62 2kh2 s THR 147 Cb 0.03 -2.16 0.25 0.00 1.34 0.00 0.00 72.50 71.95 2kh2 s THR 147 CO 0.22 -0.48 0.72 0.23 -0.54 0.00 0.00 174.62 174.77 2kh2 n MET 148 N -0.46 2.37 -2.10 3.99 2.81 -1.26 -3.47 117.12 119.01 2kh2 n MET 148 Ca -0.07 -4.56 -0.43 0.00 -1.81 0.00 0.00 57.70 50.83 2kh2 n MET 148 Cb 0.60 -2.18 -0.03 0.00 -0.71 0.00 0.00 33.22 30.90 2kh2 n MET 148 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2kh2 s GLN 149 N -2.34 3.42 0.19 0.03 1.11 -1.10 -4.84 119.66 116.12 2kh2 s GLN 149 Ca 0.39 1.30 -0.30 0.00 0.01 0.00 0.00 55.36 56.76 2kh2 s GLN 149 Cb 0.14 -4.15 -0.08 0.00 -1.01 0.00 0.00 33.01 27.92 2kh2 s GLN 149 CO -0.03 -1.76 1.05 -0.06 0.01 0.00 0.00 175.29 174.51 2kh2 s PHE 150 N 6.43 3.68 0.49 0.91 0.08 -1.26 -0.06 117.98 128.26 2kh2 s PHE 150 Ca 0.75 1.69 0.05 0.00 0.12 0.00 0.00 56.93 59.54 2kh2 s PHE 150 Cb -0.20 -3.20 -0.01 0.00 -0.57 0.00 0.00 43.02 39.04 2kh2 s PHE 150 CO 0.33 -0.31 0.20 0.14 -0.10 0.00 0.00 175.22 175.49 2kh2 s VAL 151 N -0.46 1.69 -0.35 -0.44 -7.23 -1.00 -4.93 120.40 107.68 2kh2 s VAL 151 Ca 0.47 -1.72 -0.04 0.00 -1.81 0.00 0.00 61.98 58.88 2kh2 s VAL 151 Cb -0.28 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.24 2kh2 s VAL 151 CO 0.34 0.00 2.93 -1.20 -0.31 0.00 0.00 175.10 176.86 2kh2 n SER 152 N -1.44 6.20 0.00 4.85 7.64 -1.26 -4.81 113.62 124.80 2kh2 n SER 152 Ca -0.07 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 56.77 2kh2 n SER 152 Cb 0.65 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83