#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 0.96 -4.77 0.00 0.13 -2.07 -3.41 132.00 122.85 2kh2 h PRO 2 Ca 0.00 -0.22 -0.62 0.00 -0.87 0.00 0.00 66.00 64.29 2kh2 h PRO 2 Cb 0.00 -0.14 -0.36 0.00 0.13 0.00 0.00 31.00 30.64 2kh2 h PRO 2 CO 0.00 0.86 -0.84 0.54 -0.23 0.00 0.00 178.00 178.33 2kh2 s VAL 3 N -5.38 1.72 0.30 1.56 0.11 -1.26 -5.08 120.40 112.37 2kh2 s VAL 3 Ca -0.13 -0.76 -0.12 0.00 -2.93 0.00 0.00 61.98 58.04 2kh2 s VAL 3 Cb 0.13 -1.61 -0.08 0.00 -1.53 0.00 0.00 36.38 33.29 2kh2 s VAL 3 CO 0.82 0.45 0.66 -0.13 -3.33 0.00 0.00 175.10 173.56 2kh2 s ARG 4 N 1.42 3.88 -0.13 1.54 0.52 -1.26 -4.93 118.95 119.98 2kh2 s ARG 4 Ca 0.04 0.46 -0.10 0.00 -0.52 0.00 0.00 55.73 55.61 2kh2 s ARG 4 Cb -0.13 -2.52 0.04 0.00 0.52 0.00 0.00 34.95 32.86 2kh2 s ARG 4 CO -0.11 0.20 0.34 -1.12 0.02 0.00 0.00 175.30 174.63 2kh2 s SER 5 N -2.46 -0.38 0.27 0.23 0.01 -1.26 -2.14 113.70 107.97 2kh2 s SER 5 Ca 0.51 0.71 0.10 0.00 1.31 0.00 0.00 55.95 58.57 2kh2 s SER 5 Cb -0.11 0.66 -0.05 0.00 0.21 0.00 0.00 66.02 66.73 2kh2 s SER 5 CO 0.21 -0.15 -0.15 -1.48 0.41 0.00 0.00 173.24 172.09 2kh2 s LEU 6 N 0.67 2.59 -0.11 2.44 0.05 -0.94 -4.93 118.68 118.45 2kh2 s LEU 6 Ca -0.04 -1.08 0.02 0.00 0.05 0.00 0.00 54.13 53.08 2kh2 s LEU 6 Cb -0.05 -0.93 -0.01 0.00 -2.05 0.00 0.00 46.19 43.15 2kh2 s LEU 6 CO -0.04 -0.10 -0.16 0.20 -0.55 0.00 0.00 176.35 175.69 2kh2 s ASN 7 N -3.47 3.75 0.13 1.48 0.01 -1.26 -0.36 114.94 115.21 2kh2 s ASN 7 Ca 0.29 -0.38 -0.11 0.00 -0.71 0.00 0.00 52.86 51.95 2kh2 s ASN 7 Cb -0.02 -1.42 0.00 0.00 0.41 0.00 0.00 41.25 40.22 2kh2 s ASN 7 CO 0.13 0.19 0.28 0.00 -1.51 0.00 0.00 177.10 176.19 2kh2 s THR 9 N -3.89 4.15 -0.03 0.00 -4.23 0.25 -1.34 115.64 110.55 2kh2 s THR 9 Ca 0.10 -1.31 0.07 0.00 -1.18 0.00 0.00 61.69 59.37 2kh2 s THR 9 Cb 0.03 -3.14 -0.02 0.00 1.34 0.00 0.00 72.50 70.72 2kh2 s THR 9 CO -0.06 -0.17 -0.24 -0.76 -0.54 0.00 0.00 174.62 172.85 2kh2 s LEU 10 N -3.21 2.04 0.03 4.79 1.43 -1.26 -1.70 118.68 120.80 2kh2 s LEU 10 Ca 0.30 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 2kh2 s LEU 10 Cb -0.09 -1.27 -0.02 0.00 0.03 0.00 0.00 46.19 44.84 2kh2 s LEU 10 CO 0.22 0.28 -0.10 -0.13 0.23 0.00 0.00 176.35 176.85 2kh2 s ARG 11 N -0.44 0.66 0.92 1.70 0.52 -1.22 -3.89 118.95 117.20 2kh2 s ARG 11 Ca 0.05 -0.66 -0.12 0.00 -0.52 0.00 0.00 55.73 54.48 2kh2 s ARG 11 Cb -0.11 -0.57 0.20 0.00 0.52 0.00 0.00 34.95 34.99 2kh2 s ARG 11 CO 0.00 0.13 1.25 0.16 0.02 0.00 0.00 175.30 176.87 2kh2 s ASP 12 N -1.16 3.27 0.06 0.23 -4.77 -1.15 -0.41 116.67 112.74 2kh2 s ASP 12 Ca -0.03 -0.00 0.09 0.00 -3.30 0.00 0.00 52.55 49.30 2kh2 s ASP 12 Cb -0.08 -0.06 0.40 0.00 -1.09 0.00 0.00 42.92 42.09 2kh2 s ASP 12 CO 0.01 -2.61 1.27 -1.20 0.70 0.00 0.00 175.17 173.33 2kh2 n SER 13 N -3.57 0.13 -1.03 2.11 7.64 -1.22 -0.85 113.62 116.83 2kh2 n SER 13 Ca 0.16 0.55 0.10 0.00 1.01 0.00 0.00 58.87 60.69 2kh2 n SER 13 Cb 0.60 -0.57 0.20 0.00 -1.01 0.00 0.00 64.21 63.43 2kh2 n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kh2 n GLN 14 N -1.66 2.40 -2.13 1.43 1.13 -1.26 -4.94 117.38 112.35 2kh2 n GLN 14 Ca 0.01 -2.19 -0.13 0.00 -1.94 0.00 0.00 57.00 52.75 2kh2 n GLN 14 Cb 0.07 -1.45 -0.01 0.00 0.11 0.00 0.00 30.24 28.95 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 1.27 -1.01 -2.05 -1.09 1.13 -0.03 -5.01 117.38 110.60 2kh2 n GLN 15 Ca 0.17 0.66 -0.30 0.00 -1.94 0.00 0.00 57.00 55.60 2kh2 n GLN 15 Cb 0.55 -4.86 0.01 0.00 0.11 0.00 0.00 30.24 26.05 2kh2 n GLN 15 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2kh2 s LYS 16 N -4.43 3.50 0.09 -1.09 1.02 -1.26 -4.65 119.74 112.92 2kh2 s LYS 16 Ca 0.00 0.59 0.08 0.00 0.02 0.00 0.00 55.97 56.66 2kh2 s LYS 16 Cb 0.00 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 2kh2 s LYS 16 CO 0.00 -0.54 -0.17 -1.12 -0.92 0.00 0.00 175.35 172.60 2kh2 s SER 17 N -4.18 3.91 -0.18 2.83 0.01 0.12 -2.92 113.70 113.29 2kh2 s SER 17 Ca 0.54 -0.50 -0.22 0.00 1.31 0.00 0.00 55.95 57.08 2kh2 s SER 17 Cb -0.11 -0.59 -0.02 0.00 0.21 0.00 0.00 66.02 65.50 2kh2 s SER 17 CO 0.52 0.20 0.66 -0.76 0.41 0.00 0.00 173.24 174.27 2kh2 s LEU 18 N -1.95 4.17 0.08 2.44 1.43 -1.25 -1.69 118.68 121.90 2kh2 s LEU 18 Ca 0.17 0.91 0.07 0.00 -1.03 0.00 0.00 54.13 54.25 2kh2 s LEU 18 Cb -0.11 -2.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.14 2kh2 s LEU 18 CO 0.09 -0.27 -0.17 0.68 0.23 0.00 0.00 176.35 176.91 2kh2 s VAL 19 N 1.81 1.40 -0.33 -1.59 -7.23 0.34 -3.08 120.40 111.73 2kh2 s VAL 19 Ca 0.31 -1.37 -0.28 0.00 -1.81 0.00 0.00 61.98 58.83 2kh2 s VAL 19 Cb -0.16 -1.30 0.02 0.00 0.56 0.00 0.00 36.38 35.50 2kh2 s VAL 19 CO 0.11 -0.10 1.02 -0.04 -0.31 0.00 0.00 175.10 175.78 2kh2 s MET 20 N -1.72 4.00 0.00 4.82 -1.94 -1.26 -0.65 119.30 122.55 2kh2 s MET 20 Ca 0.03 0.92 0.00 0.00 -1.71 0.00 0.00 55.69 54.92 2kh2 s MET 20 Cb -0.10 -3.75 0.00 0.00 2.01 0.00 0.00 34.83 32.99 2kh2 s MET 20 CO 0.03 -0.91 0.07 0.45 -0.01 0.00 0.00 175.02 174.65 2kh2 n SER 21 N 6.82 0.00 -3.82 3.03 2.88 0.53 -4.93 113.62 118.14 2kh2 n SER 21 Ca 0.10 0.36 -0.16 0.00 -1.33 0.00 0.00 58.87 57.84 2kh2 n SER 21 Cb 0.47 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 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 1.94 2.80 0.31 0.46 0.00 -1.13 -4.94 105.19 104.62 2kh2 n GLY 22 Ca 0.00 -2.25 0.14 0.00 0.00 0.00 0.00 46.02 43.91 2kh2 n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kh2 h PRO 23 N 0.00 0.00 -0.18 1.61 0.13 -2.04 -2.74 132.00 128.78 2kh2 h PRO 23 Ca -0.22 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.72 2kh2 h PRO 23 Cb 0.81 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.64 2kh2 h PRO 23 CO 0.34 0.00 -0.90 0.66 -0.23 0.00 0.00 178.00 177.88 2kh2 n TYR 24 N -4.25 0.58 -4.21 1.56 4.01 -1.26 -5.01 117.16 108.58 2kh2 n TYR 24 Ca 0.01 -1.29 -0.18 0.00 -0.16 0.00 0.00 57.90 56.28 2kh2 n TYR 24 Cb 0.26 -0.21 -0.15 0.00 -0.31 0.00 0.00 39.34 38.93 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 -2.01 0.67 -0.03 -0.72 2.12 -1.04 -4.39 118.70 113.31 2kh2 s GLU 25 Ca 0.36 -0.18 0.07 0.00 0.36 0.00 0.00 54.97 55.57 2kh2 s GLU 25 Cb 0.37 -0.66 -0.02 0.00 0.26 0.00 0.00 34.13 34.08 2kh2 s GLU 25 CO -0.09 0.05 -0.22 -0.51 -0.54 0.00 0.00 175.26 173.94 2kh2 s LEU 26 N 0.31 2.27 0.11 2.70 1.43 -1.26 -0.35 118.68 123.88 2kh2 s LEU 26 Ca -0.04 -0.38 0.06 0.00 -1.03 0.00 0.00 54.13 52.74 2kh2 s LEU 26 Cb -0.08 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 2kh2 s LEU 26 CO -0.00 0.33 -0.15 -0.54 0.23 0.00 0.00 176.35 176.21 2kh2 s LYS 27 N -0.63 1.00 -0.19 1.70 1.02 0.17 -1.74 119.74 121.07 2kh2 s LYS 27 Ca 0.10 -1.16 0.01 0.00 0.02 0.00 0.00 55.97 54.94 2kh2 s LYS 27 Cb -0.10 -0.99 0.03 0.00 -0.52 0.00 0.00 37.83 36.24 2kh2 s LYS 27 CO -0.00 0.21 -0.18 0.00 -0.92 0.00 0.00 175.35 174.45 2kh2 s ALA 28 N -1.73 2.30 0.18 5.17 0.00 0.35 -0.50 121.76 127.52 2kh2 s ALA 28 Ca 0.06 -1.25 -0.09 0.00 0.00 0.00 0.00 51.96 50.68 2kh2 s ALA 28 Cb -0.07 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 21.83 2kh2 s ALA 28 CO 0.03 -0.46 0.31 -0.48 0.00 0.00 0.00 175.76 175.17 2kh2 s LEU 29 N 1.29 0.83 0.02 0.00 0.05 -0.68 -3.17 118.68 117.03 2kh2 s LEU 29 Ca 0.03 -0.89 -0.30 0.00 0.05 0.00 0.00 54.13 53.02 2kh2 s LEU 29 Cb -0.14 1.27 -0.06 0.00 -2.05 0.00 0.00 46.19 45.22 2kh2 s LEU 29 CO -0.12 -0.93 1.38 -1.00 -0.55 0.00 0.00 176.35 175.13 2kh2 s HIS 30 N -3.98 2.97 -0.22 3.48 3.76 -1.26 0.13 115.29 120.16 2kh2 s HIS 30 Ca 0.19 0.89 0.00 0.00 -0.15 0.00 0.00 55.06 55.99 2kh2 s HIS 30 Cb 0.03 -3.64 0.06 0.00 1.11 0.00 0.00 32.58 30.13 2kh2 s HIS 30 CO 0.02 -2.32 -0.05 -1.17 -0.85 0.00 0.00 174.74 170.36 2kh2 s LEU 31 N 2.06 2.41 0.00 0.89 2.96 -1.26 -4.90 118.68 120.84 2kh2 s LEU 31 Ca 0.63 -1.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.45 2kh2 s LEU 31 Cb -0.32 -1.14 0.00 0.00 0.50 0.00 0.00 46.19 45.23 2kh2 s LEU 31 CO 0.27 -0.23 0.00 0.00 -1.32 0.00 0.00 176.35 175.08 2kh2 n GLN 32 N 4.70 1.20 0.00 1.98 6.02 -1.26 -4.66 117.38 125.37 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 0.45 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.71 2kh2 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kh2 n GLY 33 N 1.50 3.14 1.41 1.08 0.00 -1.26 -1.52 105.19 109.54 2kh2 n GLY 33 Ca 0.00 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 14.00 3.78 -0.02 1.61 -0.06 -1.26 -4.17 117.38 131.26 2kh2 n GLN 34 Ca 0.00 -2.87 0.11 0.00 -2.00 0.00 0.00 57.00 52.23 2kh2 n GLN 34 Cb 0.00 -1.92 0.10 0.00 -4.06 0.00 0.00 30.24 24.36 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 0.55 2.85 0.17 1.69 9.92 -0.58 -4.43 116.55 126.72 2kh2 n ASP 35 Ca 0.24 -1.90 0.04 0.00 -0.53 0.00 0.00 54.79 52.64 2kh2 n ASP 35 Cb 0.93 -0.03 0.45 0.00 -0.64 0.00 0.00 41.12 41.83 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 4.16 0.13 0.00 -1.24 4.05 -1.70 -2.40 114.93 117.93 2kh2 h MET 36 Ca 0.00 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 2kh2 h MET 36 Cb 0.89 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.67 2kh2 h MET 36 CO 0.00 0.27 0.00 0.39 0.23 0.00 0.00 176.91 177.80 2kh2 n GLU 37 N -4.32 0.40 -0.07 0.39 -0.58 -1.26 -1.96 120.64 113.25 2kh2 n GLU 37 Ca -0.01 0.04 0.07 0.00 -0.42 0.00 0.00 57.16 56.83 2kh2 n GLU 37 Cb 0.24 -1.50 0.30 0.00 -0.57 0.00 0.00 31.44 29.91 2kh2 n GLU 37 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2kh2 n GLN 38 N -1.07 1.42 -2.04 3.49 6.02 -0.90 -4.90 117.38 119.39 2kh2 n GLN 38 Ca 0.10 -0.64 -0.39 0.00 -0.01 0.00 0.00 57.00 56.06 2kh2 n GLN 38 Cb 0.07 -1.26 -0.00 0.00 1.02 0.00 0.00 30.24 30.06 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 -1.82 3.95 -0.01 -1.09 0.00 -0.83 -4.86 119.66 115.01 2kh2 s GLN 39 Ca 0.23 2.17 -0.16 0.00 -0.00 0.00 0.00 55.36 57.60 2kh2 s GLN 39 Cb 0.12 -2.75 -0.06 0.00 0.00 0.00 0.00 33.01 30.32 2kh2 s GLN 39 CO 0.17 -0.51 0.44 0.08 0.00 0.00 0.00 175.29 175.48 2kh2 s VAL 40 N -1.26 5.01 -0.11 3.63 1.01 -1.18 -5.08 120.40 122.42 2kh2 s VAL 40 Ca 0.57 0.91 -0.02 0.00 0.00 0.00 0.00 61.98 63.44 2kh2 s VAL 40 Cb -0.38 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 2kh2 s VAL 40 CO 0.49 0.54 -0.03 -0.69 0.00 0.00 0.00 175.10 175.41 2kh2 s VAL 41 N -0.84 3.97 -0.06 2.92 1.01 -1.26 -4.67 120.40 121.47 2kh2 s VAL 41 Ca 0.25 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 61.87 2kh2 s VAL 41 Cb -0.17 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 2kh2 s VAL 41 CO 0.14 0.55 -0.03 -0.36 0.00 0.00 0.00 175.10 175.40 2kh2 s PHE 42 N -0.29 3.06 -0.18 5.22 0.08 -0.45 -1.37 117.98 124.05 2kh2 s PHE 42 Ca 0.05 0.11 -0.15 0.00 0.12 0.00 0.00 56.93 57.05 2kh2 s PHE 42 Cb -0.13 -1.73 -0.04 0.00 -0.57 0.00 0.00 43.02 40.55 2kh2 s PHE 42 CO 0.02 0.42 0.36 -1.12 -0.10 0.00 0.00 175.22 174.80 2kh2 s SER 43 N -1.01 6.45 -0.34 1.36 0.01 0.32 -1.55 113.70 118.94 2kh2 s SER 43 Ca 0.14 0.53 -0.10 0.00 1.31 0.00 0.00 55.95 57.83 2kh2 s SER 43 Cb -0.11 -2.21 0.01 0.00 0.21 0.00 0.00 66.02 63.91 2kh2 s SER 43 CO 0.04 0.00 0.18 -0.04 0.41 0.00 0.00 173.24 173.83 2kh2 s MET 44 N 0.90 3.14 -0.12 12.44 -1.94 0.51 -3.05 119.30 131.19 2kh2 s MET 44 Ca 0.18 -0.86 -0.08 0.00 -1.71 0.00 0.00 55.69 53.23 2kh2 s MET 44 Cb -0.14 -3.64 -0.04 0.00 2.01 0.00 0.00 34.83 33.02 2kh2 s MET 44 CO 0.07 -0.53 0.15 -1.12 -0.01 0.00 0.00 175.02 173.58 2kh2 s SER 45 N 1.59 6.41 -1.25 3.03 0.01 -1.21 -2.22 113.70 120.05 2kh2 s SER 45 Ca 0.04 0.49 -0.19 0.00 1.31 0.00 0.00 55.95 57.60 2kh2 s SER 45 Cb -0.18 -2.08 0.07 0.00 0.21 0.00 0.00 66.02 64.04 2kh2 s SER 45 CO 0.07 0.40 1.68 -0.36 0.41 0.00 0.00 173.24 175.43 2kh2 s PHE 46 N -0.98 2.77 0.00 2.43 0.08 -0.91 -2.50 117.98 118.86 2kh2 s PHE 46 Ca 0.15 -1.52 0.00 0.00 0.12 0.00 0.00 56.93 55.68 2kh2 s PHE 46 Cb -0.12 -4.73 0.00 0.00 -0.57 0.00 0.00 43.02 37.60 2kh2 s PHE 46 CO 0.04 -1.81 0.00 1.33 -0.10 0.00 0.00 175.22 174.68 2kh2 n VAL 47 N 6.41 0.00 -5.17 -0.44 0.24 -1.23 -4.78 118.33 113.35 2kh2 n VAL 47 Ca 0.46 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.46 2kh2 n VAL 47 Cb 0.47 -1.84 -0.16 0.00 -1.47 0.00 0.00 33.84 30.83 2kh2 n VAL 47 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2kh2 s GLN 48 N -0.12 2.05 0.00 7.34 2.00 -0.97 -4.94 119.66 125.03 2kh2 s GLN 48 Ca 0.00 -0.84 0.00 0.00 -2.00 0.00 0.00 55.36 52.52 2kh2 s GLN 48 Cb 0.00 -1.90 0.00 0.00 0.80 0.00 0.00 33.01 31.91 2kh2 s GLN 48 CO 0.00 0.46 0.00 0.41 -0.50 0.00 0.00 175.29 175.66 2kh2 n GLY 49 N 2.66 -0.58 3.59 2.59 0.00 -1.26 -4.80 105.19 107.39 2kh2 n GLY 49 Ca -0.16 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.50 3.33 0.03 1.61 2.56 -1.26 -4.94 118.70 118.53 2kh2 s GLU 50 Ca 0.00 0.93 0.05 0.00 0.00 0.00 0.00 54.97 55.95 2kh2 s GLU 50 Cb 0.00 -4.14 -0.03 0.00 2.00 0.00 0.00 34.13 31.96 2kh2 s GLU 50 CO 0.00 -1.87 -0.10 -2.00 -0.56 0.00 0.00 175.26 170.73 2kh2 s GLU 51 N 5.52 2.36 0.09 4.30 2.12 -1.26 -3.68 118.70 128.15 2kh2 s GLU 51 Ca 0.65 -0.83 -0.03 0.00 0.36 0.00 0.00 54.97 55.12 2kh2 s GLU 51 Cb -0.15 -2.39 0.01 0.00 0.26 0.00 0.00 34.13 31.86 2kh2 s GLU 51 CO 0.30 0.57 0.18 -1.13 -0.54 0.00 0.00 175.26 174.64 2kh2 n SER 52 N 1.44 -0.51 0.16 -1.70 3.41 0.52 -4.98 113.62 111.96 2kh2 n SER 52 Ca -0.15 -1.38 0.07 0.00 -0.26 0.00 0.00 58.87 57.15 2kh2 n SER 52 Cb 0.52 0.86 0.07 0.00 -0.26 0.00 0.00 64.21 65.41 2kh2 n SER 52 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2kh2 h ASN 53 N 0.46 0.00 0.00 4.04 -0.73 -2.01 -3.37 115.58 113.98 2kh2 h ASN 53 Ca -0.08 0.00 -0.30 0.00 1.87 0.00 0.00 56.30 57.79 2kh2 h ASN 53 Cb 0.29 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.82 2kh2 h ASN 53 CO 0.10 0.26 -2.13 -0.90 -0.37 0.00 0.00 177.43 174.38 2kh2 n ASP 54 N -3.10 2.40 -4.55 1.15 5.75 -1.26 -4.95 116.55 111.98 2kh2 n ASP 54 Ca 0.02 -0.08 -0.35 0.00 -0.01 0.00 0.00 54.79 54.36 2kh2 n ASP 54 Cb 0.64 -0.33 -0.11 0.00 -1.03 0.00 0.00 41.12 40.29 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 -2.40 3.82 -0.12 0.11 2.20 -1.26 -1.33 119.74 120.76 2kh2 s LYS 55 Ca -0.27 -0.42 0.02 0.00 -0.36 0.00 0.00 55.97 54.94 2kh2 s LYS 55 Cb 0.07 -3.22 0.01 0.00 -1.51 0.00 0.00 37.83 33.19 2kh2 s LYS 55 CO 0.45 0.10 -0.18 0.42 -0.36 0.00 0.00 175.35 175.78 2kh2 s ILE 56 N 0.83 1.73 -0.25 5.43 -1.09 0.54 -0.35 121.20 128.03 2kh2 s ILE 56 Ca 0.03 -0.78 -0.29 0.00 -2.23 0.00 0.00 60.65 57.38 2kh2 s ILE 56 Cb -0.14 -1.56 0.00 0.00 -1.58 0.00 0.00 42.46 39.19 2kh2 s ILE 56 CO 0.02 0.49 1.18 -2.16 -1.23 0.00 0.00 174.94 173.24 2kh2 s PRO 57 N 0.96 4.12 0.06 2.79 0.04 -1.24 -0.49 135.00 141.23 2kh2 s PRO 57 Ca -0.06 1.35 -0.00 0.00 0.04 0.00 0.00 61.00 62.34 2kh2 s PRO 57 Cb -0.15 -3.76 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 2kh2 s PRO 57 CO -0.02 -0.84 -0.04 0.14 0.04 0.00 0.00 177.00 176.28 2kh2 s VAL 58 N 3.69 0.33 0.14 -0.36 -7.23 0.07 -3.54 120.40 113.50 2kh2 s VAL 58 Ca 0.51 -1.70 -0.01 0.00 -1.81 0.00 0.00 61.98 58.97 2kh2 s VAL 58 Cb -0.17 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.36 2kh2 s VAL 58 CO 0.15 -0.89 0.31 0.00 -0.31 0.00 0.00 175.10 174.37 2kh2 s ALA 59 N -3.46 3.91 -0.28 1.32 0.00 -1.04 -0.69 121.76 121.52 2kh2 s ALA 59 Ca 0.05 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.19 2kh2 s ALA 59 Cb 0.05 -1.92 0.08 0.00 0.00 0.00 0.00 23.12 21.32 2kh2 s ALA 59 CO -0.07 0.61 0.01 -0.51 0.00 0.00 0.00 175.76 175.80 2kh2 s LEU 60 N -2.95 2.96 0.15 0.00 1.43 -1.26 -3.33 118.68 115.68 2kh2 s LEU 60 Ca 0.37 -1.50 0.05 0.00 -1.03 0.00 0.00 54.13 52.02 2kh2 s LEU 60 Cb -0.12 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 2kh2 s LEU 60 CO 0.28 -0.31 -0.12 -0.83 0.23 0.00 0.00 176.35 175.59 2kh2 s GLY 61 N 1.35 1.13 0.21 -3.19 0.00 -1.17 -1.26 107.32 104.38 2kh2 s GLY 61 Ca 0.02 -1.46 -0.30 0.00 0.00 0.00 0.00 44.72 42.98 2kh2 s GLY 61 CO -0.11 -1.55 1.16 1.08 0.00 0.00 0.00 173.10 173.68 2kh2 s LEU 62 N -2.98 4.48 0.22 0.66 1.02 -0.04 -0.52 118.68 121.51 2kh2 s LEU 62 Ca 0.15 2.22 -0.32 0.00 0.02 0.00 0.00 54.13 56.20 2kh2 s LEU 62 Cb -0.00 -3.61 -0.13 0.00 0.02 0.00 0.00 46.19 42.46 2kh2 s LEU 62 CO 0.02 -0.29 1.54 1.17 0.02 0.00 0.00 176.35 178.81 2kh2 n LYS 63 N 2.16 2.28 -4.08 1.70 4.81 -0.47 -2.14 118.16 122.42 2kh2 n LYS 63 Ca 0.03 0.82 -0.32 0.00 -0.87 0.00 0.00 58.31 57.96 2kh2 n LYS 63 Cb 0.45 -2.56 -0.01 0.00 0.02 0.00 0.00 35.03 32.93 2kh2 n LYS 63 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2kh2 n GLU 64 N 2.80 -3.88 -3.66 1.64 0.00 -1.26 -4.96 120.64 111.31 2kh2 n GLU 64 Ca 0.14 0.45 -0.15 0.00 0.00 0.00 0.00 57.16 57.59 2kh2 n GLU 64 Cb 0.32 -5.11 -0.08 0.00 0.00 0.00 0.00 31.44 26.57 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2kh2 s LYS 65 N -6.76 0.79 -0.17 3.44 1.02 -0.91 -5.04 119.74 112.12 2kh2 s LYS 65 Ca 0.57 0.13 0.04 0.00 0.02 0.00 0.00 55.97 56.73 2kh2 s LYS 65 Cb -0.30 0.37 0.35 0.00 -0.52 0.00 0.00 37.83 37.72 2kh2 s LYS 65 CO 0.89 -0.21 1.27 0.27 -0.92 0.00 0.00 175.35 176.65 2kh2 n ASN 66 N 1.42 3.30 -4.58 2.83 6.94 -1.26 -4.34 115.26 119.56 2kh2 n ASN 66 Ca -0.19 -2.61 -0.40 0.00 -0.02 0.00 0.00 54.58 51.36 2kh2 n ASN 66 Cb 0.56 -0.63 -0.09 0.00 -2.36 0.00 0.00 39.78 37.27 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 -1.43 4.16 0.07 -4.53 1.43 -1.26 -1.82 118.68 115.31 2kh2 s LEU 67 Ca 0.26 0.11 0.09 0.00 -1.03 0.00 0.00 54.13 53.56 2kh2 s LEU 67 Cb 0.21 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 2kh2 s LEU 67 CO 0.06 -0.24 -0.24 -0.31 0.23 0.00 0.00 176.35 175.85 2kh2 s TYR 68 N 2.06 2.11 -0.03 0.29 1.51 -0.46 -0.86 117.35 121.98 2kh2 s TYR 68 Ca 0.14 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.50 2kh2 s TYR 68 Cb -0.16 -1.22 -0.04 0.00 -0.11 0.00 0.00 41.96 40.43 2kh2 s TYR 68 CO 0.11 0.18 1.24 -0.51 -1.11 0.00 0.00 175.55 175.46 2kh2 s LEU 69 N -1.52 4.30 -0.01 -1.29 1.43 -0.39 -0.77 118.68 120.43 2kh2 s LEU 69 Ca 0.10 1.90 0.06 0.00 -1.03 0.00 0.00 54.13 55.16 2kh2 s LEU 69 Cb -0.10 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.55 2kh2 s LEU 69 CO 0.03 -0.60 -0.18 -0.55 0.23 0.00 0.00 176.35 175.29 2kh2 s SER 70 N 1.51 2.12 -0.32 2.29 0.15 0.80 -4.50 113.70 115.75 2kh2 s SER 70 Ca 0.58 -0.34 -0.08 0.00 0.70 0.00 0.00 55.95 56.81 2kh2 s SER 70 Cb -0.27 -0.23 0.02 0.00 -1.71 0.00 0.00 66.02 63.83 2kh2 s SER 70 CO 0.24 0.21 0.12 0.00 1.20 0.00 0.00 173.24 175.01 2kh2 s VAL 72 N 1.50 0.48 -0.26 0.00 -7.23 -0.44 -4.72 120.40 109.73 2kh2 s VAL 72 Ca 0.02 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.05 2kh2 s VAL 72 Cb -0.18 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 2kh2 s VAL 72 CO 0.04 -0.07 0.32 -0.76 -0.31 0.00 0.00 175.10 174.32 2kh2 s LEU 73 N -3.27 4.05 -0.19 1.32 1.43 -1.26 0.48 118.68 121.23 2kh2 s LEU 73 Ca 0.36 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.70 2kh2 s LEU 73 Cb 0.07 -2.35 0.04 0.00 0.03 0.00 0.00 46.19 43.99 2kh2 s LEU 73 CO 0.12 -0.13 -0.13 -0.54 0.23 0.00 0.00 176.35 175.90 2kh2 s LYS 74 N 1.89 2.28 -1.18 1.70 1.02 0.89 -4.74 119.74 121.60 2kh2 s LYS 74 Ca 0.13 -0.85 -0.02 0.00 0.02 0.00 0.00 55.97 55.24 2kh2 s LYS 74 Cb -0.16 -2.45 -0.02 0.00 -0.52 0.00 0.00 37.83 34.69 2kh2 s LYS 74 CO 0.10 -0.37 0.92 -3.47 -0.92 0.00 0.00 175.35 171.60 2kh2 n ASP 75 N 4.66 -3.14 -1.83 2.83 4.64 -1.26 -2.04 116.55 120.40 2kh2 n ASP 75 Ca -0.16 -0.70 -0.19 0.00 -1.38 0.00 0.00 54.79 52.36 2kh2 n ASP 75 Cb 0.47 -4.88 -0.06 0.00 -1.04 0.00 0.00 41.12 35.62 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 -3.12 -5.12 -3.78 1.67 9.92 -1.26 -4.96 116.55 109.90 2kh2 n ASP 76 Ca -0.23 0.32 -0.18 0.00 -0.53 0.00 0.00 54.79 54.18 2kh2 n ASP 76 Cb 0.66 -4.47 -0.17 0.00 -0.64 0.00 0.00 41.12 36.50 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 -4.07 0.19 0.03 -1.24 2.47 -0.87 -5.12 119.74 111.14 2kh2 s LYS 77 Ca 0.00 0.16 -0.30 0.00 -1.56 0.00 0.00 55.97 54.26 2kh2 s LYS 77 Cb 0.00 -0.48 -0.08 0.00 -1.46 0.00 0.00 37.83 35.81 2kh2 s LYS 77 CO 0.00 -0.19 1.76 -2.14 0.16 0.00 0.00 175.35 174.94 2kh2 s PRO 78 N 1.32 4.17 0.08 4.03 0.02 -1.26 -0.08 135.00 143.28 2kh2 s PRO 78 Ca -0.06 2.40 0.03 0.00 0.02 0.00 0.00 61.00 63.39 2kh2 s PRO 78 Cb -0.13 -3.85 -0.03 0.00 0.02 0.00 0.00 34.50 30.50 2kh2 s PRO 78 CO -0.03 -0.84 -0.09 0.99 -0.33 0.00 0.00 177.00 176.71 2kh2 s THR 79 N 3.51 0.75 0.05 0.99 2.01 0.18 -4.65 115.64 118.49 2kh2 s THR 79 Ca 0.79 -1.49 -0.08 0.00 0.31 0.00 0.00 61.69 61.21 2kh2 s THR 79 Cb -0.40 -1.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.90 2kh2 s THR 79 CO 0.35 -0.55 0.35 -0.22 -0.69 0.00 0.00 174.62 173.86 2kh2 s LEU 80 N -2.24 4.36 0.29 4.42 2.96 -1.26 -1.33 118.68 125.87 2kh2 s LEU 80 Ca 0.01 0.70 -0.12 0.00 -0.22 0.00 0.00 54.13 54.50 2kh2 s LEU 80 Cb -0.04 -2.87 0.01 0.00 0.50 0.00 0.00 46.19 43.78 2kh2 s LEU 80 CO -0.01 0.20 0.53 0.00 -1.32 0.00 0.00 176.35 175.76 2kh2 s GLN 81 N -1.87 1.72 -0.22 1.98 -2.07 0.13 -4.97 119.66 114.36 2kh2 s GLN 81 Ca 0.31 -1.35 -0.05 0.00 -1.82 0.00 0.00 55.36 52.45 2kh2 s GLN 81 Cb -0.14 0.50 -0.02 0.00 -1.09 0.00 0.00 33.01 32.26 2kh2 s GLN 81 CO 0.18 -0.74 -0.00 -0.51 -1.32 0.00 0.00 175.29 172.90 2kh2 s LEU 82 N -3.06 3.11 -0.11 2.60 2.01 -1.26 -0.14 118.68 121.83 2kh2 s LEU 82 Ca 0.22 -0.30 -0.02 0.00 0.01 0.00 0.00 54.13 54.04 2kh2 s LEU 82 Cb -0.02 -1.80 -0.03 0.00 0.01 0.00 0.00 46.19 44.35 2kh2 s LEU 82 CO 0.11 -0.00 -0.04 -1.61 1.01 0.00 0.00 176.35 175.82 2kh2 s GLU 83 N 1.40 3.24 -1.01 1.70 2.02 0.05 -4.89 118.70 121.21 2kh2 s GLU 83 Ca 0.05 -0.52 -0.18 0.00 0.02 0.00 0.00 54.97 54.34 2kh2 s GLU 83 Cb -0.15 -2.78 0.13 0.00 0.10 0.00 0.00 34.13 31.44 2kh2 s GLU 83 CO -0.00 0.46 1.24 -1.12 0.02 0.00 0.00 175.26 175.86 2kh2 s SER 84 N -0.25 6.72 0.69 -0.19 0.01 -1.26 -1.36 113.70 118.07 2kh2 s SER 84 Ca 0.04 -2.21 -0.11 0.00 1.31 0.00 0.00 55.95 54.98 2kh2 s SER 84 Cb -0.13 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2kh2 s SER 84 CO 0.02 -1.03 1.06 0.68 0.41 0.00 0.00 173.24 174.38 2kh2 s VAL 85 N 2.68 3.98 -0.19 3.43 -7.23 -0.76 -4.93 120.40 117.38 2kh2 s VAL 85 Ca 0.37 0.67 -0.37 0.00 -1.81 0.00 0.00 61.98 60.84 2kh2 s VAL 85 Cb -0.04 -3.38 -0.13 0.00 0.56 0.00 0.00 36.38 33.39 2kh2 s VAL 85 CO -0.07 -0.81 1.84 -0.67 -0.31 0.00 0.00 175.10 175.08 2kh2 n ASP 86 N -3.03 2.91 0.24 4.85 4.64 -1.26 -4.85 116.55 120.05 2kh2 n ASP 86 Ca 0.08 0.98 0.16 0.00 -1.38 0.00 0.00 54.79 54.63 2kh2 n ASP 86 Cb 0.53 -1.26 0.79 0.00 -1.04 0.00 0.00 41.12 40.14 2kh2 n ASP 86 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 2kh2 h PRO 87 N 8.56 0.00 0.00 -0.67 0.11 -1.92 -1.74 132.00 136.34 2kh2 h PRO 87 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2kh2 h PRO 87 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2kh2 h PRO 87 CO 0.96 0.00 -0.72 0.36 -0.21 0.00 0.00 178.00 178.39 2kh2 n LYS 88 N -2.68 2.96 -0.03 1.05 2.85 -1.26 -4.51 118.16 116.54 2kh2 n LYS 88 Ca -0.01 -0.03 0.10 0.00 -1.05 0.00 0.00 58.31 57.32 2kh2 n LYS 88 Cb 0.14 -0.97 0.10 0.00 -0.65 0.00 0.00 35.03 33.64 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 -1.39 2.68 -4.08 -5.58 3.02 -1.08 -4.95 115.26 103.88 2kh2 n ASN 89 Ca 0.00 -1.81 -0.13 0.00 -0.03 0.00 0.00 54.58 52.61 2kh2 n ASN 89 Cb 0.15 -0.04 -0.11 0.00 -0.61 0.00 0.00 39.78 39.17 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 -1.54 0.74 0.93 3.10 1.51 -0.68 -4.53 117.35 116.88 2kh2 s TYR 90 Ca 0.24 -0.52 -0.14 0.00 -1.01 0.00 0.00 57.07 55.63 2kh2 s TYR 90 Cb 0.16 -0.44 0.19 0.00 -0.11 0.00 0.00 41.96 41.77 2kh2 s TYR 90 CO 0.24 -0.07 1.28 -1.25 -1.11 0.00 0.00 175.55 174.64 2kh2 s PRO 91 N -1.74 0.77 0.16 -1.71 0.04 -1.26 -4.77 135.00 126.49 2kh2 s PRO 91 Ca -0.08 -0.49 -0.09 0.00 0.04 0.00 0.00 61.00 60.38 2kh2 s PRO 91 Cb -0.09 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 2kh2 s PRO 91 CO 0.00 -2.30 0.29 -1.59 0.04 0.00 0.00 177.00 173.44 2kh2 s LYS 92 N -5.80 1.15 -0.01 4.56 -2.85 -1.26 -5.07 119.74 110.45 2kh2 s LYS 92 Ca 0.73 -1.15 -0.23 0.00 -1.00 0.00 0.00 55.97 54.31 2kh2 s LYS 92 Cb -0.04 0.38 -0.19 0.00 -2.06 0.00 0.00 37.83 35.92 2kh2 s LYS 92 CO 0.52 -0.42 1.21 -0.22 0.10 0.00 0.00 175.35 176.54 2kh2 h LYS 93 N 2.54 0.19 -4.77 1.78 3.64 -1.97 -3.37 116.57 114.62 2kh2 h LYS 93 Ca -0.32 -0.13 -0.72 0.00 -1.27 0.00 0.00 60.65 58.21 2kh2 h LYS 93 Cb 1.23 0.02 -0.19 0.00 -0.41 0.00 0.00 32.23 32.88 2kh2 h LYS 93 CO 0.48 0.74 1.04 0.21 -2.27 0.00 0.00 179.45 179.65 2kh2 s LYS 94 N -3.85 3.87 0.39 1.90 2.47 -1.26 -2.28 119.74 120.98 2kh2 s LYS 94 Ca -0.15 -2.27 -0.04 0.00 -1.56 0.00 0.00 55.97 51.95 2kh2 s LYS 94 Cb 0.03 -4.95 -0.04 0.00 -1.46 0.00 0.00 37.83 31.40 2kh2 s LYS 94 CO 0.73 -1.72 0.67 -1.64 0.16 0.00 0.00 175.35 173.54 2kh2 s MET 95 N 1.84 3.58 0.48 4.03 -1.94 -1.26 -5.03 119.30 120.99 2kh2 s MET 95 Ca 0.37 0.05 -0.24 0.00 -1.71 0.00 0.00 55.69 54.15 2kh2 s MET 95 Cb -0.04 -2.51 -0.07 0.00 2.01 0.00 0.00 34.83 34.21 2kh2 s MET 95 CO -0.05 0.00 1.36 0.39 -0.01 0.00 0.00 175.02 176.71 2kh2 n GLU 96 N -1.72 1.96 0.17 2.03 4.71 -1.26 -4.82 120.64 121.71 2kh2 n GLU 96 Ca -0.01 0.71 0.17 0.00 -0.01 0.00 0.00 57.16 58.02 2kh2 n GLU 96 Cb 0.55 -2.54 0.79 0.00 -1.01 0.00 0.00 31.44 29.23 2kh2 n GLU 96 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 2kh2 h LYS 97 N 1.92 0.00 0.00 3.49 1.63 -1.96 0.17 116.57 121.82 2kh2 h LYS 97 Ca -0.50 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 2kh2 h LYS 97 Cb 1.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 2kh2 h LYS 97 CO 0.59 0.00 0.00 2.89 -3.45 0.00 0.00 179.45 179.48 2kh2 n ARG 98 N -3.90 0.14 0.00 1.90 1.85 -1.26 -2.55 116.66 112.83 2kh2 n ARG 98 Ca 0.03 0.25 0.06 0.00 -1.00 0.00 0.00 57.85 57.19 2kh2 n ARG 98 Cb 0.39 -1.71 0.03 0.00 -1.05 0.00 0.00 32.46 30.12 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 -1.96 0.00 -3.38 2.89 3.72 0.58 -1.13 117.46 118.18 2kh2 n PHE 99 Ca 0.04 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.04 2kh2 n PHE 99 Cb 0.30 0.00 -0.09 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 -1.28 5.15 -0.01 -4.37 1.01 -1.01 -4.10 120.40 115.78 2kh2 s VAL 100 Ca 0.13 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2kh2 s VAL 100 Cb 0.11 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2kh2 s VAL 100 CO 0.22 0.01 0.05 -0.36 0.00 0.00 0.00 175.10 175.02 2kh2 s PHE 101 N 2.09 3.20 -0.74 5.22 0.08 0.13 -2.42 117.98 125.55 2kh2 s PHE 101 Ca 0.14 0.16 -0.15 0.00 0.12 0.00 0.00 56.93 57.20 2kh2 s PHE 101 Cb -0.16 -1.72 0.19 0.00 -0.57 0.00 0.00 43.02 40.76 2kh2 s PHE 101 CO 0.11 0.52 0.70 -0.80 -0.10 0.00 0.00 175.22 175.64 2kh2 s ASN 102 N -1.61 6.58 -0.66 1.36 0.02 0.29 -0.75 114.94 120.18 2kh2 s ASN 102 Ca 0.21 -2.39 -0.27 0.00 -1.02 0.00 0.00 52.86 49.38 2kh2 s ASN 102 Cb -0.12 -2.22 0.02 0.00 0.02 0.00 0.00 41.25 38.95 2kh2 s ASN 102 CO 0.12 -0.68 1.42 -0.75 0.02 0.00 0.00 177.10 177.23 2kh2 s LYS 103 N 0.67 3.12 0.13 -0.60 2.20 0.35 -1.23 119.74 124.39 2kh2 s LYS 103 Ca 0.14 0.12 0.02 0.00 -0.36 0.00 0.00 55.97 55.89 2kh2 s LYS 103 Cb -0.16 -4.20 -0.04 0.00 -1.51 0.00 0.00 37.83 31.92 2kh2 s LYS 103 CO -0.05 -2.19 0.23 0.42 -0.36 0.00 0.00 175.35 173.41 2kh2 s ILE 104 N 6.43 5.17 -0.41 5.43 1.01 0.11 -0.34 121.20 138.60 2kh2 s ILE 104 Ca 0.46 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.44 2kh2 s ILE 104 Cb -0.10 -3.62 0.15 0.00 0.01 0.00 0.00 42.46 38.90 2kh2 s ILE 104 CO 0.19 -0.04 0.27 -1.61 0.00 0.00 0.00 174.94 173.75 2kh2 s GLU 105 N -3.02 0.91 -0.01 2.79 8.01 -0.44 -0.23 118.70 126.70 2kh2 s GLU 105 Ca 0.34 -1.80 -0.25 0.00 0.01 0.00 0.00 54.97 53.27 2kh2 s GLU 105 Cb -0.11 -1.67 -0.19 0.00 -4.31 0.00 0.00 34.13 27.85 2kh2 s GLU 105 CO 0.27 -1.25 1.25 -0.84 0.01 0.00 0.00 175.26 174.70 2kh2 h ILE 106 N 4.93 1.17 0.00 -1.63 3.07 -1.87 -3.47 117.51 119.71 2kh2 h ILE 106 Ca 0.11 -0.95 0.00 0.00 1.55 0.00 0.00 64.86 65.56 2kh2 h ILE 106 Cb 0.93 1.77 0.00 0.00 -0.27 0.00 0.00 36.82 39.26 2kh2 h ILE 106 CO 0.36 0.23 0.00 -0.46 -1.05 0.00 0.00 178.15 177.24 2kh2 n ASN 107 N -4.93 0.00 0.01 2.16 0.23 -1.26 -5.00 115.26 106.47 2kh2 n ASN 107 Ca -0.08 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.07 2kh2 n ASN 107 Cb 0.24 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.88 2kh2 n ASN 107 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2kh2 n ASN 108 N 0.00 0.55 -4.80 0.53 4.05 -1.26 -4.91 115.26 109.42 2kh2 n ASN 108 Ca 0.00 -0.33 -0.31 0.00 0.45 0.00 0.00 54.58 54.39 2kh2 n ASN 108 Cb 0.00 1.14 -0.06 0.00 1.23 0.00 0.00 39.78 42.09 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 2kh2 s LYS 109 N -3.24 3.00 -0.02 1.20 -0.14 -1.26 -4.99 119.74 114.29 2kh2 s LYS 109 Ca 0.02 -0.62 0.00 0.00 -1.36 0.00 0.00 55.97 54.01 2kh2 s LYS 109 Cb 0.15 -2.80 -0.04 0.00 -1.68 0.00 0.00 37.83 33.46 2kh2 s LYS 109 CO 0.84 0.59 0.01 -0.48 -0.76 0.00 0.00 175.35 175.55 2kh2 s LEU 110 N -2.31 3.59 0.02 3.17 2.34 -0.41 -3.75 118.68 121.33 2kh2 s LEU 110 Ca 0.29 0.05 0.08 0.00 0.06 0.00 0.00 54.13 54.62 2kh2 s LEU 110 Cb -0.12 -2.01 -0.03 0.00 -0.56 0.00 0.00 46.19 43.48 2kh2 s LEU 110 CO 0.22 0.30 -0.24 -1.83 -1.06 0.00 0.00 176.35 173.74 2kh2 s GLU 111 N -1.42 2.00 -0.43 1.48 -1.05 0.68 -0.49 118.70 119.46 2kh2 s GLU 111 Ca 0.18 -1.00 -0.04 0.00 -0.15 0.00 0.00 54.97 53.97 2kh2 s GLU 111 Cb -0.12 -2.07 0.12 0.00 -0.44 0.00 0.00 34.13 31.62 2kh2 s GLU 111 CO 0.09 0.54 0.24 -0.06 0.95 0.00 0.00 175.26 177.02 2kh2 s PHE 112 N -0.77 3.56 0.06 4.83 0.40 -1.26 0.07 117.98 124.86 2kh2 s PHE 112 Ca 0.12 -2.37 -0.16 0.00 -0.60 0.00 0.00 56.93 53.91 2kh2 s PHE 112 Cb -0.10 -3.26 -0.06 0.00 0.51 0.00 0.00 43.02 40.10 2kh2 s PHE 112 CO 0.02 -0.97 0.50 -2.00 0.70 0.00 0.00 175.22 173.47 2kh2 s GLU 113 N 1.08 4.04 0.05 0.44 2.12 -0.37 -2.40 118.70 123.67 2kh2 s GLU 113 Ca 0.09 0.55 -0.29 0.00 0.36 0.00 0.00 54.97 55.68 2kh2 s GLU 113 Cb -0.23 -3.17 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 2kh2 s GLU 113 CO -0.04 0.63 0.93 0.45 -0.54 0.00 0.00 175.26 176.70 2kh2 s SER 114 N -1.22 7.39 0.25 -1.70 0.15 0.29 0.11 113.70 118.96 2kh2 s SER 114 Ca 0.28 1.67 0.03 0.00 0.70 0.00 0.00 55.95 58.63 2kh2 s SER 114 Cb -0.18 -2.56 0.29 0.00 -1.71 0.00 0.00 66.02 61.87 2kh2 s SER 114 CO 0.17 -0.14 1.61 0.00 1.20 0.00 0.00 173.24 176.08 2kh2 h ALA 115 N 6.14 0.92 -0.18 5.45 0.00 -1.68 -2.83 119.26 127.08 2kh2 h ALA 115 Ca -0.42 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 53.90 2kh2 h ALA 115 Cb 1.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2kh2 h ALA 115 CO 0.73 0.65 -0.44 0.37 0.00 0.00 0.00 179.25 180.57 2kh2 h GLN 116 N 0.30 0.43 -3.39 0.00 5.75 -1.78 -3.39 115.11 113.03 2kh2 h GLN 116 Ca 0.02 -0.22 -0.61 0.00 -0.15 0.00 0.00 58.65 57.68 2kh2 h GLN 116 Cb 0.95 0.01 -0.40 0.00 1.07 0.00 0.00 27.48 29.10 2kh2 h GLN 116 CO 0.08 0.79 -0.73 -0.06 -2.65 0.00 0.00 178.83 176.26 2kh2 s PHE 117 N -4.15 2.20 0.30 3.99 0.08 -1.07 -5.08 117.98 114.25 2kh2 s PHE 117 Ca -0.06 -2.34 -0.30 0.00 0.12 0.00 0.00 56.93 54.35 2kh2 s PHE 117 Cb 0.13 -2.03 -0.12 0.00 -0.57 0.00 0.00 43.02 40.43 2kh2 s PHE 117 CO 0.81 -0.83 1.55 -2.30 -0.10 0.00 0.00 175.22 174.34 2kh2 n PRO 118 N 3.99 2.60 -0.96 0.24 -0.02 -1.19 -2.03 135.00 137.62 2kh2 n PRO 118 Ca 0.05 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 2kh2 n PRO 118 Cb 0.37 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 2kh2 n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2kh2 n ASN 119 N 1.87 -2.26 -4.41 2.55 5.03 -1.26 -5.00 115.26 111.79 2kh2 n ASN 119 Ca 0.08 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.16 2kh2 n ASN 119 Cb 0.36 -0.88 -0.13 0.00 -1.02 0.00 0.00 39.78 38.12 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 -2.40 3.08 0.33 3.10 0.52 -0.86 -4.50 118.94 118.21 2kh2 s TRP 120 Ca 0.00 -0.60 0.09 0.00 0.02 0.00 0.00 56.10 55.61 2kh2 s TRP 120 Cb 0.00 -2.23 -0.05 0.00 -1.15 0.00 0.00 33.47 30.04 2kh2 s TRP 120 CO 0.00 -0.43 -0.02 0.71 0.02 0.00 0.00 176.95 177.23 2kh2 s TYR 121 N 1.58 2.53 -0.05 -1.98 1.51 0.55 -0.55 117.35 120.94 2kh2 s TYR 121 Ca 0.06 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.41 2kh2 s TYR 121 Cb -0.15 -1.40 -0.05 0.00 -0.11 0.00 0.00 41.96 40.25 2kh2 s TYR 121 CO 0.03 0.53 1.46 0.42 -1.11 0.00 0.00 175.55 176.87 2kh2 s ILE 122 N -2.50 3.76 0.17 2.71 1.01 -1.01 -0.42 121.20 124.91 2kh2 s ILE 122 Ca 0.34 1.04 0.09 0.00 0.00 0.00 0.00 60.65 62.12 2kh2 s ILE 122 Cb -0.01 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 2kh2 s ILE 122 CO 0.19 -0.05 -0.19 -0.44 0.00 0.00 0.00 174.94 174.45 2kh2 s SER 123 N 2.37 2.80 -0.10 3.58 0.01 0.11 -4.50 113.70 117.96 2kh2 s SER 123 Ca 0.65 -0.88 -0.10 0.00 1.31 0.00 0.00 55.95 56.94 2kh2 s SER 123 Cb -0.30 -0.17 0.03 0.00 0.21 0.00 0.00 66.02 65.78 2kh2 s SER 123 CO 0.25 -0.02 0.28 -0.89 0.41 0.00 0.00 173.24 173.27 2kh2 s THR 124 N -2.07 0.00 0.72 1.44 2.01 -0.84 -1.73 115.64 115.17 2kh2 s THR 124 Ca 0.17 -0.01 -0.12 0.00 0.31 0.00 0.00 61.69 62.04 2kh2 s THR 124 Cb -0.06 -0.40 0.03 0.00 0.01 0.00 0.00 72.50 72.08 2kh2 s THR 124 CO 0.07 -0.01 1.09 -0.44 -0.69 0.00 0.00 174.62 174.65 2kh2 s SER 125 N 0.11 4.81 0.37 3.53 0.01 -1.26 0.36 113.70 121.63 2kh2 s SER 125 Ca -0.00 1.87 0.09 0.00 1.31 0.00 0.00 55.95 59.21 2kh2 s SER 125 Cb -0.02 -2.53 0.72 0.00 0.21 0.00 0.00 66.02 64.40 2kh2 s SER 125 CO 0.00 -1.83 1.88 1.56 0.41 0.00 0.00 173.24 175.26 2kh2 h GLN 126 N -0.66 0.25 -7.07 12.44 1.08 -1.96 -3.45 115.11 115.74 2kh2 h GLN 126 Ca -0.45 -0.07 -0.53 0.00 -1.45 0.00 0.00 58.65 56.16 2kh2 h GLN 126 Cb 1.23 -0.03 0.20 0.00 -0.05 0.00 0.00 27.48 28.84 2kh2 h GLN 126 CO 0.53 0.42 -0.08 0.00 -0.95 0.00 0.00 178.83 178.75 2kh2 n ALA 127 N -2.49 -1.43 -2.32 3.87 0.00 -1.26 -5.00 120.51 111.88 2kh2 n ALA 127 Ca -0.01 -0.55 -0.35 0.00 0.00 0.00 0.00 53.44 52.54 2kh2 n ALA 127 Cb 0.30 -2.04 -0.06 0.00 0.00 0.00 0.00 19.45 17.65 2kh2 n ALA 127 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2kh2 s GLU 128 N -4.16 3.99 -0.84 0.00 2.56 -1.26 -4.11 118.70 114.88 2kh2 s GLU 128 Ca 0.64 0.52 0.00 0.00 0.00 0.00 0.00 54.97 56.13 2kh2 s GLU 128 Cb -0.23 -2.86 0.00 0.00 2.00 0.00 0.00 34.13 33.04 2kh2 s GLU 128 CO 0.61 0.43 0.00 -1.71 -0.56 0.00 0.00 175.26 174.03 2kh2 n ASN 129 N 0.61 -3.41 -4.83 -1.70 5.15 -1.19 -5.02 115.26 104.86 2kh2 n ASN 129 Ca -0.04 0.05 -0.38 0.00 -0.60 0.00 0.00 54.58 53.62 2kh2 n ASN 129 Cb 0.52 -2.44 -0.06 0.00 -0.53 0.00 0.00 39.78 37.27 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 -4.02 3.94 0.96 1.20 -1.94 -1.19 -4.86 119.30 113.39 2kh2 s MET 130 Ca 0.00 0.43 -0.13 0.00 -1.71 0.00 0.00 55.69 54.28 2kh2 s MET 130 Cb 0.00 -3.23 0.16 0.00 2.01 0.00 0.00 34.83 33.78 2kh2 s MET 130 CO 0.00 0.68 1.13 -2.14 -0.01 0.00 0.00 175.02 174.68 2kh2 s PRO 131 N -1.04 0.76 -0.12 2.03 0.02 -1.26 -0.50 135.00 134.89 2kh2 s PRO 131 Ca 0.24 0.29 -0.13 0.00 0.02 0.00 0.00 61.00 61.42 2kh2 s PRO 131 Cb -0.17 -1.80 -0.05 0.00 0.02 0.00 0.00 34.50 32.51 2kh2 s PRO 131 CO 0.14 -2.46 0.28 0.08 -0.33 0.00 0.00 177.00 174.71 2kh2 s VAL 132 N -3.21 5.29 0.26 3.83 1.01 -0.71 -4.58 120.40 122.28 2kh2 s VAL 132 Ca 0.65 0.53 -0.00 0.00 0.00 0.00 0.00 61.98 63.16 2kh2 s VAL 132 Cb -0.15 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2kh2 s VAL 132 CO 0.55 0.48 0.25 0.72 0.00 0.00 0.00 175.10 177.10 2kh2 s PHE 133 N -0.16 1.23 -0.19 5.22 -0.12 -0.71 -4.86 117.98 118.39 2kh2 s PHE 133 Ca 0.17 -1.38 -0.12 0.00 -0.05 0.00 0.00 56.93 55.56 2kh2 s PHE 133 Cb -0.13 -0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 41.75 2kh2 s PHE 133 CO 0.06 -0.81 0.20 -1.17 -0.05 0.00 0.00 175.22 173.45 2kh2 s LEU 134 N -3.21 4.21 0.11 -1.99 2.96 -1.26 0.05 118.68 119.55 2kh2 s LEU 134 Ca 0.37 0.33 0.08 0.00 -0.22 0.00 0.00 54.13 54.68 2kh2 s LEU 134 Cb 0.04 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 2kh2 s LEU 134 CO 0.17 0.14 -0.20 -0.83 -1.32 0.00 0.00 176.35 174.31 2kh2 s GLY 135 N 0.47 1.23 -0.09 7.98 0.00 0.43 -4.85 107.32 112.50 2kh2 s GLY 135 Ca 0.11 -1.26 0.13 0.00 0.00 0.00 0.00 44.72 43.70 2kh2 s GLY 135 CO 0.01 -1.28 1.31 0.61 0.00 0.00 0.00 173.10 173.75 2kh2 n GLY 136 N 0.98 3.47 2.50 0.20 0.00 -1.26 -0.33 105.19 110.75 2kh2 n GLY 136 Ca -0.19 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 2kh2 n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kh2 n THR 137 N -0.12 2.15 -2.01 2.61 -2.24 -1.26 -4.88 114.28 108.52 2kh2 n THR 137 Ca 0.15 -5.12 -0.42 0.00 -2.27 0.00 0.00 64.05 56.39 2kh2 n THR 137 Cb 0.63 -2.11 -0.03 0.00 -2.10 0.00 0.00 70.33 66.72 2kh2 n THR 137 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kh2 s LYS 138 N -2.26 4.26 0.00 -0.78 2.20 -1.26 -2.20 119.74 119.70 2kh2 s LYS 138 Ca 0.37 2.28 0.00 0.00 -0.36 0.00 0.00 55.97 58.26 2kh2 s LYS 138 Cb 0.11 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.28 2kh2 s LYS 138 CO -0.04 -0.50 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 2kh2 n GLY 139 N 3.12 0.53 0.00 5.54 0.00 -1.26 -5.03 105.19 108.09 2kh2 n GLY 139 Ca 0.11 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.84 0.67 0.09 -0.02 0.00 -0.93 -5.01 105.19 97.14 2kh2 n GLY 140 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 -6.86 1.61 7.50 -1.96 -3.47 115.11 111.94 2kh2 h GLN 141 Ca 0.00 0.00 -0.50 0.00 0.50 0.00 0.00 58.65 58.65 2kh2 h GLN 141 Cb 0.00 0.00 0.02 0.00 0.05 0.00 0.00 27.48 27.55 2kh2 h GLN 141 CO 0.00 0.98 0.48 -0.51 -1.50 0.00 0.00 178.83 178.27 2kh2 s ASP 142 N -6.57 7.04 0.15 1.46 1.01 -1.26 -4.60 116.67 113.89 2kh2 s ASP 142 Ca -0.24 2.26 -0.31 0.00 0.71 0.00 0.00 52.55 54.97 2kh2 s ASP 142 Cb 0.02 -2.62 -0.10 0.00 1.01 0.00 0.00 42.92 41.23 2kh2 s ASP 142 CO 0.62 -0.30 1.74 -0.63 0.21 0.00 0.00 175.17 176.81 2kh2 s ILE 143 N -1.28 2.48 0.00 0.77 1.09 0.16 -4.58 121.20 119.82 2kh2 s ILE 143 Ca 0.49 0.16 0.00 0.00 -1.10 0.00 0.00 60.65 60.20 2kh2 s ILE 143 Cb -0.30 -3.10 0.00 0.00 -1.06 0.00 0.00 42.46 37.99 2kh2 s ILE 143 CO 0.39 0.01 0.49 0.35 -0.10 0.00 0.00 174.94 176.07 2kh2 n THR 144 N 4.42 0.12 -5.02 2.92 -2.24 -1.26 -1.99 114.28 111.22 2kh2 n THR 144 Ca 0.16 -0.48 -0.31 0.00 -2.27 0.00 0.00 64.05 61.15 2kh2 n THR 144 Cb 0.38 1.08 -0.14 0.00 -2.10 0.00 0.00 70.33 69.54 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 -0.12 3.50 0.32 3.42 -4.77 -1.26 -4.53 116.67 113.24 2kh2 s ASP 145 Ca 0.00 -0.39 0.03 0.00 -3.30 0.00 0.00 52.55 48.90 2kh2 s ASP 145 Cb 0.00 -0.54 -0.04 0.00 -1.09 0.00 0.00 42.92 41.25 2kh2 s ASP 145 CO 0.00 0.31 0.16 -0.36 0.70 0.00 0.00 175.17 175.98 2kh2 s PHE 146 N -0.72 1.65 0.38 2.11 0.08 0.36 -3.38 117.98 118.46 2kh2 s PHE 146 Ca 0.11 -1.35 0.08 0.00 0.12 0.00 0.00 56.93 55.89 2kh2 s PHE 146 Cb -0.10 -0.91 -0.06 0.00 -0.57 0.00 0.00 43.02 41.37 2kh2 s PHE 146 CO 0.01 -0.48 0.03 0.95 -0.10 0.00 0.00 175.22 175.63 2kh2 s THR 147 N -3.53 2.28 -0.09 0.64 -4.23 0.45 -1.29 115.64 109.86 2kh2 s THR 147 Ca 0.34 -1.96 -0.01 0.00 -1.18 0.00 0.00 61.69 58.89 2kh2 s THR 147 Cb 0.05 -2.89 0.03 0.00 1.34 0.00 0.00 72.50 71.03 2kh2 s THR 147 CO 0.17 -0.09 -0.04 -0.32 -0.54 0.00 0.00 174.62 173.81 2kh2 s MET 148 N -3.74 1.07 -0.21 3.99 1.75 -1.26 -3.41 119.30 117.48 2kh2 s MET 148 Ca 0.36 -0.08 0.01 0.00 -1.25 0.00 0.00 55.69 54.73 2kh2 s MET 148 Cb 0.05 -1.25 0.04 0.00 2.84 0.00 0.00 34.83 36.51 2kh2 s MET 148 CO 0.19 -0.26 -0.12 -0.65 -0.65 0.00 0.00 175.02 173.53 2kh2 s GLN 149 N 1.75 2.20 0.13 4.11 1.11 -0.69 -4.94 119.66 123.34 2kh2 s GLN 149 Ca 0.03 -0.93 -0.30 0.00 0.01 0.00 0.00 55.36 54.17 2kh2 s GLN 149 Cb -0.13 -2.52 -0.07 0.00 -1.01 0.00 0.00 33.01 29.28 2kh2 s GLN 149 CO -0.06 -0.42 1.12 -0.06 0.01 0.00 0.00 175.29 175.88 2kh2 s PHE 150 N 1.33 3.55 0.57 0.91 0.08 -1.26 -0.59 117.98 122.57 2kh2 s PHE 150 Ca -0.02 1.52 0.06 0.00 0.12 0.00 0.00 56.93 58.61 2kh2 s PHE 150 Cb -0.16 -3.31 0.05 0.00 -0.57 0.00 0.00 43.02 39.03 2kh2 s PHE 150 CO -0.08 -0.77 0.46 0.14 -0.10 0.00 0.00 175.22 174.87 2kh2 s VAL 151 N 0.21 1.56 -1.02 -0.44 -7.23 -1.08 -4.97 120.40 107.44 2kh2 s VAL 151 Ca 0.52 -1.45 -0.21 0.00 -1.81 0.00 0.00 61.98 59.04 2kh2 s VAL 151 Cb -0.29 -2.01 0.08 0.00 0.56 0.00 0.00 36.38 34.73 2kh2 s VAL 151 CO 0.33 0.00 1.36 -0.44 -0.31 0.00 0.00 175.10 176.04 2kh2 s SER 152 N -4.36 6.59 0.00 4.85 0.01 -1.26 -4.88 113.70 114.65 2kh2 s SER 152 Ca 0.35 -1.77 0.00 0.00 1.31 0.00 0.00 55.95 55.84 2kh2 s SER 152 Cb -0.03 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2kh2 s SER 152 CO 0.22 -1.31 0.00 -1.20 0.41 0.00 0.00 173.24 171.36