#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 -5.18 0.00 0.13 -2.07 -3.42 132.00 121.47 2kh2 h PRO 2 Ca 0.00 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.46 2kh2 h PRO 2 Cb 0.00 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 30.81 2kh2 h PRO 2 CO 0.00 0.12 -0.84 0.54 -0.23 0.00 0.00 178.00 177.59 2kh2 s VAL 3 N -3.38 2.35 0.13 1.56 0.11 -1.26 -5.12 120.40 114.78 2kh2 s VAL 3 Ca 0.04 -0.88 0.00 0.00 -2.93 0.00 0.00 61.98 58.21 2kh2 s VAL 3 Cb 0.07 -1.97 -0.04 0.00 -1.53 0.00 0.00 36.38 32.91 2kh2 s VAL 3 CO 0.64 0.53 0.29 -0.13 -3.33 0.00 0.00 175.10 173.10 2kh2 s ARG 4 N 0.89 3.47 -0.08 1.54 0.52 -1.26 -4.99 118.95 119.04 2kh2 s ARG 4 Ca -0.05 -0.44 -0.08 0.00 -0.52 0.00 0.00 55.73 54.64 2kh2 s ARG 4 Cb -0.15 -2.95 0.02 0.00 0.52 0.00 0.00 34.95 32.39 2kh2 s ARG 4 CO -0.02 0.52 0.23 0.45 0.02 0.00 0.00 175.30 176.50 2kh2 s SER 5 N -2.89 -0.23 0.26 0.23 0.15 -1.26 -1.43 113.70 108.53 2kh2 s SER 5 Ca 0.36 0.44 0.11 0.00 0.70 0.00 0.00 55.95 57.56 2kh2 s SER 5 Cb -0.12 0.46 -0.05 0.00 -1.71 0.00 0.00 66.02 64.61 2kh2 s SER 5 CO 0.28 -0.09 -0.11 -0.76 1.20 0.00 0.00 173.24 173.76 2kh2 s LEU 6 N 0.06 2.88 -0.13 3.45 1.43 -0.39 -4.91 118.68 121.07 2kh2 s LEU 6 Ca -0.01 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.29 2kh2 s LEU 6 Cb -0.02 -1.42 -0.01 0.00 0.03 0.00 0.00 46.19 44.77 2kh2 s LEU 6 CO 0.00 0.03 -0.14 0.20 0.23 0.00 0.00 176.35 176.68 2kh2 s ASN 7 N -3.46 3.89 0.10 2.29 0.01 -1.26 0.23 114.94 116.74 2kh2 s ASN 7 Ca 0.30 -0.37 -0.17 0.00 -0.71 0.00 0.00 52.86 51.90 2kh2 s ASN 7 Cb -0.06 -1.59 0.04 0.00 0.41 0.00 0.00 41.25 40.05 2kh2 s ASN 7 CO 0.17 0.15 0.42 0.00 -1.51 0.00 0.00 177.10 176.33 2kh2 s THR 9 N -3.41 3.96 -0.07 0.00 -4.23 -0.18 -0.23 115.64 111.48 2kh2 s THR 9 Ca 0.00 -1.22 0.05 0.00 -1.18 0.00 0.00 61.69 59.34 2kh2 s THR 9 Cb 0.01 -2.97 -0.01 0.00 1.34 0.00 0.00 72.50 70.87 2kh2 s THR 9 CO -0.09 -0.04 -0.23 -0.76 -0.54 0.00 0.00 174.62 172.96 2kh2 s LEU 10 N -2.78 2.20 0.00 4.79 1.43 -1.26 -1.98 118.68 121.09 2kh2 s LEU 10 Ca 0.28 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 2kh2 s LEU 10 Cb -0.10 -1.42 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 2kh2 s LEU 10 CO 0.19 0.23 -0.09 -0.13 0.23 0.00 0.00 176.35 176.78 2kh2 s ARG 11 N -0.05 0.70 0.99 1.70 0.52 -1.22 -3.52 118.95 118.08 2kh2 s ARG 11 Ca -0.06 -0.40 -0.17 0.00 -0.52 0.00 0.00 55.73 54.58 2kh2 s ARG 11 Cb -0.15 -0.67 0.23 0.00 0.52 0.00 0.00 34.95 34.89 2kh2 s ARG 11 CO 0.05 0.18 1.16 -0.40 0.02 0.00 0.00 175.30 176.30 2kh2 n ASP 12 N 2.62 -0.64 0.00 0.23 5.68 -0.78 -0.16 116.55 123.50 2kh2 n ASP 12 Ca -0.15 -1.33 0.02 0.00 -0.50 0.00 0.00 54.79 52.83 2kh2 n ASP 12 Cb 0.57 -0.94 0.10 0.00 -1.14 0.00 0.00 41.12 39.70 2kh2 n ASP 12 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2kh2 n SER 13 N -4.13 0.00 -0.76 -1.12 7.64 -1.24 -0.58 113.62 113.44 2kh2 n SER 13 Ca 0.15 0.38 0.08 0.00 1.01 0.00 0.00 58.87 60.49 2kh2 n SER 13 Cb 0.54 -0.40 0.12 0.00 -1.01 0.00 0.00 64.21 63.46 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 -1.40 1.82 -1.39 1.43 1.13 -1.26 -4.95 117.38 112.75 2kh2 n GLN 14 Ca 0.01 -1.77 -0.09 0.00 -1.94 0.00 0.00 57.00 53.21 2kh2 n GLN 14 Cb 0.04 -1.34 -0.04 0.00 0.11 0.00 0.00 30.24 29.01 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 0.95 -0.66 -2.80 -1.09 1.13 0.25 -4.97 117.38 110.19 2kh2 n GLN 15 Ca 0.12 0.78 -0.42 0.00 -1.94 0.00 0.00 57.00 55.54 2kh2 n GLN 15 Cb 0.45 -4.69 -0.03 0.00 0.11 0.00 0.00 30.24 26.07 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 -3.02 4.39 0.35 -1.09 1.02 -1.26 -4.34 119.74 115.79 2kh2 s LYS 16 Ca 0.00 1.21 0.01 0.00 0.02 0.00 0.00 55.97 57.21 2kh2 s LYS 16 Cb 0.00 -3.54 -0.03 0.00 -0.52 0.00 0.00 37.83 33.74 2kh2 s LYS 16 CO 0.00 -0.26 0.55 -1.12 -0.92 0.00 0.00 175.35 173.60 2kh2 s SER 17 N 1.08 6.24 -0.14 2.83 0.01 -0.02 -1.87 113.70 121.83 2kh2 s SER 17 Ca 0.44 0.40 -0.19 0.00 1.31 0.00 0.00 55.95 57.90 2kh2 s SER 17 Cb -0.18 -1.95 -0.04 0.00 0.21 0.00 0.00 66.02 64.07 2kh2 s SER 17 CO 0.17 -0.33 0.53 -0.76 0.41 0.00 0.00 173.24 173.26 2kh2 s LEU 18 N -4.32 4.24 0.13 2.44 1.43 -1.23 -1.66 118.68 119.71 2kh2 s LEU 18 Ca 0.41 0.83 0.07 0.00 -1.03 0.00 0.00 54.13 54.41 2kh2 s LEU 18 Cb -0.10 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 2kh2 s LEU 18 CO 0.36 -0.09 -0.17 0.68 0.23 0.00 0.00 176.35 177.36 2kh2 s VAL 19 N 1.02 1.62 -0.27 -1.59 -7.23 0.93 -1.67 120.40 113.21 2kh2 s VAL 19 Ca 0.27 -1.75 -0.28 0.00 -1.81 0.00 0.00 61.98 58.42 2kh2 s VAL 19 Cb -0.16 -1.65 0.01 0.00 0.56 0.00 0.00 36.38 35.14 2kh2 s VAL 19 CO 0.11 -0.29 0.99 -0.04 -0.31 0.00 0.00 175.10 175.56 2kh2 s MET 20 N -2.52 4.15 0.00 4.82 -1.94 -1.26 -0.78 119.30 121.76 2kh2 s MET 20 Ca 0.11 1.11 0.00 0.00 -1.71 0.00 0.00 55.69 55.19 2kh2 s MET 20 Cb -0.07 -3.68 0.00 0.00 2.01 0.00 0.00 34.83 33.09 2kh2 s MET 20 CO 0.05 -0.71 0.00 0.45 -0.01 0.00 0.00 175.02 174.80 2kh2 n SER 21 N 6.44 0.00 -1.27 3.03 2.88 0.54 -4.94 113.62 120.30 2kh2 n SER 21 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 2kh2 n SER 21 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 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 2.75 0.79 0.22 0.46 0.00 -1.22 -4.92 105.19 103.26 2kh2 n GLY 22 Ca 0.00 -1.87 -0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 0.27 -0.69 1.61 0.13 -2.04 -3.29 132.00 127.99 2kh2 h PRO 23 Ca 0.00 -0.10 -0.31 0.00 -0.87 0.00 0.00 66.00 64.73 2kh2 h PRO 23 Cb 0.00 -0.02 -0.40 0.00 0.13 0.00 0.00 31.00 30.71 2kh2 h PRO 23 CO 0.00 0.53 -1.13 0.66 -0.23 0.00 0.00 178.00 177.84 2kh2 n TYR 24 N -4.13 1.34 -4.09 1.56 4.01 -1.26 -5.08 117.16 109.50 2kh2 n TYR 24 Ca -0.01 -2.41 -0.16 0.00 -0.16 0.00 0.00 57.90 55.16 2kh2 n TYR 24 Cb 0.39 -0.29 -0.15 0.00 -0.31 0.00 0.00 39.34 38.98 2kh2 n TYR 24 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2kh2 s GLU 25 N -3.53 0.38 -0.03 -0.72 2.12 -1.24 -4.51 118.70 111.16 2kh2 s GLU 25 Ca 0.29 -0.13 0.06 0.00 0.36 0.00 0.00 54.97 55.55 2kh2 s GLU 25 Cb 0.38 -0.39 -0.01 0.00 0.26 0.00 0.00 34.13 34.37 2kh2 s GLU 25 CO -0.01 0.06 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.04 2kh2 s LEU 26 N 0.08 2.02 0.15 2.70 1.43 -1.26 -0.34 118.68 123.47 2kh2 s LEU 26 Ca -0.00 -0.42 0.08 0.00 -1.03 0.00 0.00 54.13 52.75 2kh2 s LEU 26 Cb -0.04 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 2kh2 s LEU 26 CO -0.00 0.24 -0.17 -0.54 0.23 0.00 0.00 176.35 176.11 2kh2 s LYS 27 N -0.33 1.21 -0.16 1.70 1.02 0.04 -2.32 119.74 120.89 2kh2 s LYS 27 Ca 0.03 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 54.66 2kh2 s LYS 27 Cb -0.10 -1.22 0.00 0.00 -0.52 0.00 0.00 37.83 35.99 2kh2 s LYS 27 CO 0.01 0.25 -0.16 0.00 -0.92 0.00 0.00 175.35 174.52 2kh2 s ALA 28 N -2.06 2.46 0.20 5.17 0.00 0.21 -0.05 121.76 127.70 2kh2 s ALA 28 Ca 0.14 -1.10 -0.12 0.00 0.00 0.00 0.00 51.96 50.88 2kh2 s ALA 28 Cb -0.05 -1.23 -0.00 0.00 0.00 0.00 0.00 23.12 21.83 2kh2 s ALA 28 CO 0.06 -0.13 0.40 -0.48 0.00 0.00 0.00 175.76 175.60 2kh2 s LEU 29 N 0.97 0.54 0.10 0.00 0.05 -0.66 -3.46 118.68 116.23 2kh2 s LEU 29 Ca -0.02 -0.84 -0.31 0.00 0.05 0.00 0.00 54.13 53.00 2kh2 s LEU 29 Cb -0.15 1.57 -0.09 0.00 -2.05 0.00 0.00 46.19 45.47 2kh2 s LEU 29 CO -0.03 -1.02 1.58 -1.00 -0.55 0.00 0.00 176.35 175.33 2kh2 s HIS 30 N -3.98 2.73 -0.21 3.48 3.76 -1.26 -0.84 115.29 118.98 2kh2 s HIS 30 Ca 0.19 0.51 -0.02 0.00 -0.15 0.00 0.00 55.06 55.59 2kh2 s HIS 30 Cb 0.01 -3.91 0.01 0.00 1.11 0.00 0.00 32.58 29.80 2kh2 s HIS 30 CO 0.04 -3.49 -0.10 -1.17 -0.85 0.00 0.00 174.74 169.16 2kh2 s LEU 31 N 2.00 2.66 0.32 0.89 2.96 -1.26 -4.92 118.68 121.32 2kh2 s LEU 31 Ca 0.71 -0.55 0.06 0.00 -0.22 0.00 0.00 54.13 54.13 2kh2 s LEU 31 Cb -0.40 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 2kh2 s LEU 31 CO 0.31 -0.03 0.29 -1.58 -1.32 0.00 0.00 176.35 174.03 2kh2 s GLN 32 N 1.39 1.74 4.53 1.98 0.74 -1.26 -4.85 119.66 123.92 2kh2 s GLN 32 Ca 0.05 -1.96 0.00 0.00 0.05 0.00 0.00 55.36 53.50 2kh2 s GLN 32 Cb -0.14 0.34 0.00 0.00 1.10 0.00 0.00 33.01 34.30 2kh2 s GLN 32 CO -0.07 -0.65 0.00 0.41 -0.55 0.00 0.00 175.29 174.43 2kh2 n GLY 33 N -0.59 1.50 1.52 2.59 0.00 -1.26 -2.56 105.19 106.39 2kh2 n GLY 33 Ca 0.06 -0.58 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 2kh2 n GLY 33 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kh2 n GLN 34 N 4.56 2.77 -0.01 1.61 3.00 -1.26 -3.74 117.38 124.31 2kh2 n GLN 34 Ca 0.00 -1.91 0.10 0.00 -0.01 0.00 0.00 57.00 55.18 2kh2 n GLN 34 Cb 0.00 -1.88 0.09 0.00 0.00 0.00 0.00 30.24 28.45 2kh2 n GLN 34 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2kh2 n ASP 35 N 0.03 2.72 0.24 1.08 9.92 -1.06 -4.38 116.55 125.10 2kh2 n ASP 35 Ca 0.25 -1.84 0.09 0.00 -0.53 0.00 0.00 54.79 52.75 2kh2 n ASP 35 Cb 0.99 -0.02 0.61 0.00 -0.64 0.00 0.00 41.12 42.07 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 2kh2 h MET 36 N 3.93 0.00 0.00 -1.24 4.05 -1.68 -2.28 114.93 117.71 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 0.84 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.64 2kh2 h MET 36 CO 0.00 0.15 0.00 0.39 0.23 0.00 0.00 176.91 177.68 2kh2 n GLU 37 N -4.02 0.93 -0.19 0.39 -0.58 -1.26 -2.76 120.64 113.15 2kh2 n GLU 37 Ca -0.02 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.83 2kh2 n GLU 37 Cb 0.23 -1.04 0.24 0.00 -0.57 0.00 0.00 31.44 30.31 2kh2 n GLU 37 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2kh2 n GLN 38 N -0.54 2.42 -2.21 3.49 6.02 -0.86 -4.95 117.38 120.75 2kh2 n GLN 38 Ca 0.02 -2.15 -0.41 0.00 -0.01 0.00 0.00 57.00 54.45 2kh2 n GLN 38 Cb 0.01 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.74 2kh2 n GLN 38 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2kh2 s GLN 39 N -1.49 4.41 0.17 -1.09 -2.07 -1.11 -4.77 119.66 113.70 2kh2 s GLN 39 Ca 0.39 2.08 -0.30 0.00 -1.82 0.00 0.00 55.36 55.71 2kh2 s GLN 39 Cb 0.22 -3.15 -0.07 0.00 -1.09 0.00 0.00 33.01 28.91 2kh2 s GLN 39 CO 0.31 -0.18 1.11 0.08 -1.32 0.00 0.00 175.29 175.29 2kh2 s VAL 40 N -0.40 3.86 -0.19 3.63 1.01 -0.67 -5.02 120.40 122.61 2kh2 s VAL 40 Ca 0.53 1.58 -0.09 0.00 0.00 0.00 0.00 61.98 64.00 2kh2 s VAL 40 Cb -0.37 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 2kh2 s VAL 40 CO 0.43 0.26 0.10 -0.69 0.00 0.00 0.00 175.10 175.20 2kh2 s VAL 41 N -0.13 5.17 -0.14 2.92 1.01 -1.26 -4.53 120.40 123.43 2kh2 s VAL 41 Ca 0.50 0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.53 2kh2 s VAL 41 Cb -0.30 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 2kh2 s VAL 41 CO 0.35 0.45 0.04 -0.36 0.00 0.00 0.00 175.10 175.57 2kh2 s PHE 42 N 0.37 3.23 -0.20 5.22 0.40 0.68 -1.13 117.98 126.55 2kh2 s PHE 42 Ca 0.06 0.11 -0.18 0.00 -0.60 0.00 0.00 56.93 56.32 2kh2 s PHE 42 Cb -0.12 -1.95 -0.03 0.00 0.51 0.00 0.00 43.02 41.43 2kh2 s PHE 42 CO -0.01 0.30 0.50 -1.12 0.70 0.00 0.00 175.22 175.58 2kh2 s SER 43 N -0.21 6.54 -0.43 1.36 0.01 0.52 -1.33 113.70 120.16 2kh2 s SER 43 Ca 0.07 0.65 -0.08 0.00 1.31 0.00 0.00 55.95 57.90 2kh2 s SER 43 Cb -0.12 -2.28 0.10 0.00 0.21 0.00 0.00 66.02 63.92 2kh2 s SER 43 CO 0.02 -0.16 0.26 -0.04 0.41 0.00 0.00 173.24 173.73 2kh2 s MET 44 N 1.56 2.43 0.20 12.44 -1.94 0.14 -3.16 119.30 130.98 2kh2 s MET 44 Ca 0.23 -1.62 -0.17 0.00 -1.71 0.00 0.00 55.69 52.42 2kh2 s MET 44 Cb -0.15 -3.76 -0.08 0.00 2.01 0.00 0.00 34.83 32.85 2kh2 s MET 44 CO 0.09 -1.04 0.65 -1.12 -0.01 0.00 0.00 175.02 173.59 2kh2 s SER 45 N 2.20 6.92 -1.25 3.03 0.01 -1.25 -1.26 113.70 122.10 2kh2 s SER 45 Ca 0.05 1.25 -0.19 0.00 1.31 0.00 0.00 55.95 58.36 2kh2 s SER 45 Cb -0.24 -2.36 0.03 0.00 0.21 0.00 0.00 66.02 63.67 2kh2 s SER 45 CO -0.00 0.03 1.77 -0.36 0.41 0.00 0.00 173.24 175.09 2kh2 s PHE 46 N -1.56 2.56 0.84 2.43 0.08 -0.51 -3.57 117.98 118.26 2kh2 s PHE 46 Ca 0.42 -1.07 -0.13 0.00 0.12 0.00 0.00 56.93 56.27 2kh2 s PHE 46 Cb -0.15 -4.57 0.10 0.00 -0.57 0.00 0.00 43.02 37.83 2kh2 s PHE 46 CO 0.20 -1.67 1.19 0.14 -0.10 0.00 0.00 175.22 174.98 2kh2 s VAL 47 N 5.92 2.00 -0.12 -0.44 -7.23 -1.26 -4.83 120.40 114.45 2kh2 s VAL 47 Ca 0.57 0.00 -0.01 0.00 -1.81 0.00 0.00 61.98 60.73 2kh2 s VAL 47 Cb 0.03 -2.97 -0.02 0.00 0.56 0.00 0.00 36.38 33.97 2kh2 s VAL 47 CO 0.08 0.00 -0.09 -1.58 -0.31 0.00 0.00 175.10 173.20 2kh2 s GLN 48 N -5.59 3.27 0.00 4.82 2.00 -0.91 -4.85 119.66 118.40 2kh2 s GLN 48 Ca 0.64 -0.61 0.00 0.00 -2.00 0.00 0.00 55.36 53.39 2kh2 s GLN 48 Cb -0.10 -2.69 0.00 0.00 0.80 0.00 0.00 33.01 31.02 2kh2 s GLN 48 CO 0.50 0.35 0.00 0.41 -0.50 0.00 0.00 175.29 176.05 2kh2 n GLY 49 N 3.15 -0.86 3.56 2.59 0.00 -1.26 -4.85 105.19 107.52 2kh2 n GLY 49 Ca -0.18 0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.01 3.45 0.11 1.61 2.56 -1.26 -4.97 118.70 120.18 2kh2 s GLU 50 Ca 0.00 -0.94 0.02 0.00 0.00 0.00 0.00 54.97 54.05 2kh2 s GLU 50 Cb 0.00 -5.21 -0.04 0.00 2.00 0.00 0.00 34.13 30.88 2kh2 s GLU 50 CO 0.00 -2.32 0.20 -2.00 -0.56 0.00 0.00 175.26 170.58 2kh2 s GLU 51 N 5.26 3.27 0.00 4.30 2.12 -1.26 -4.03 118.70 128.36 2kh2 s GLU 51 Ca 0.47 -0.59 0.00 0.00 0.36 0.00 0.00 54.97 55.21 2kh2 s GLU 51 Cb -0.02 -2.91 0.00 0.00 0.26 0.00 0.00 34.13 31.47 2kh2 s GLU 51 CO -0.06 0.56 0.00 -1.13 -0.54 0.00 0.00 175.26 174.08 2kh2 n SER 52 N -0.03 0.00 0.06 -1.70 3.41 -0.47 -5.00 113.62 109.90 2kh2 n SER 52 Ca -0.07 -0.83 0.12 0.00 -0.26 0.00 0.00 58.87 57.84 2kh2 n SER 52 Cb 0.53 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.59 2kh2 n SER 52 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2kh2 h ASN 53 N 0.00 0.00 0.00 4.04 4.21 -2.01 -3.39 115.58 118.42 2kh2 h ASN 53 Ca 0.00 -0.21 -0.13 0.00 1.21 0.00 0.00 56.30 57.17 2kh2 h ASN 53 Cb 0.00 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.18 2kh2 h ASN 53 CO 0.00 0.11 -1.47 -0.90 -1.29 0.00 0.00 177.43 173.88 2kh2 n ASP 54 N -2.17 3.09 -4.63 5.81 5.75 -1.26 -4.98 116.55 118.16 2kh2 n ASP 54 Ca 0.02 -0.03 -0.37 0.00 -0.01 0.00 0.00 54.79 54.40 2kh2 n ASP 54 Cb 0.46 -0.14 -0.10 0.00 -1.03 0.00 0.00 41.12 40.31 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 -2.16 4.04 -0.20 0.11 1.02 -1.26 -2.33 119.74 118.95 2kh2 s LYS 55 Ca -0.11 -0.19 -0.02 0.00 0.02 0.00 0.00 55.97 55.68 2kh2 s LYS 55 Cb 0.03 -3.59 0.01 0.00 -0.52 0.00 0.00 37.83 33.76 2kh2 s LYS 55 CO 0.19 -0.07 -0.12 0.42 -0.92 0.00 0.00 175.35 174.86 2kh2 s ILE 56 N 1.42 2.76 -0.25 2.17 -1.09 -0.02 -1.36 121.20 124.83 2kh2 s ILE 56 Ca 0.10 -0.70 -0.29 0.00 -2.23 0.00 0.00 60.65 57.52 2kh2 s ILE 56 Cb -0.15 -2.22 0.01 0.00 -1.58 0.00 0.00 42.46 38.52 2kh2 s ILE 56 CO 0.08 0.48 1.12 -2.16 -1.23 0.00 0.00 174.94 173.22 2kh2 s PRO 57 N 1.39 4.17 0.19 2.79 0.04 -1.26 0.01 135.00 142.33 2kh2 s PRO 57 Ca 0.05 1.33 -0.00 0.00 0.04 0.00 0.00 61.00 62.42 2kh2 s PRO 57 Cb -0.14 -3.72 -0.04 0.00 0.04 0.00 0.00 34.50 30.65 2kh2 s PRO 57 CO -0.08 -0.77 0.10 0.14 0.04 0.00 0.00 177.00 176.43 2kh2 s VAL 58 N 3.50 0.15 0.08 -0.36 -7.23 -0.06 -3.99 120.40 112.49 2kh2 s VAL 58 Ca 0.48 -1.98 0.03 0.00 -1.81 0.00 0.00 61.98 58.70 2kh2 s VAL 58 Cb -0.16 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 2kh2 s VAL 58 CO 0.12 -0.13 0.07 0.00 -0.31 0.00 0.00 175.10 174.85 2kh2 s ALA 59 N -4.04 3.52 -0.31 1.32 0.00 -1.23 -0.70 121.76 120.31 2kh2 s ALA 59 Ca 0.35 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 51.31 2kh2 s ALA 59 Cb 0.07 -1.40 0.09 0.00 0.00 0.00 0.00 23.12 21.88 2kh2 s ALA 59 CO 0.10 0.74 0.02 -0.51 0.00 0.00 0.00 175.76 176.10 2kh2 s LEU 60 N -2.34 3.94 0.15 0.00 1.43 -1.26 -3.95 118.68 116.66 2kh2 s LEU 60 Ca 0.28 -1.85 0.05 0.00 -1.03 0.00 0.00 54.13 51.58 2kh2 s LEU 60 Cb -0.12 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 2kh2 s LEU 60 CO 0.21 -0.34 -0.10 -0.83 0.23 0.00 0.00 176.35 175.52 2kh2 s GLY 61 N 1.09 1.09 0.23 -3.19 0.00 -1.19 -0.43 107.32 104.93 2kh2 s GLY 61 Ca 0.06 -1.50 -0.30 0.00 0.00 0.00 0.00 44.72 42.97 2kh2 s GLY 61 CO -0.10 -1.60 0.99 1.08 0.00 0.00 0.00 173.10 173.47 2kh2 s LEU 62 N -3.18 4.60 0.29 0.66 1.02 -0.07 -0.35 118.68 121.65 2kh2 s LEU 62 Ca 0.17 2.02 -0.30 0.00 0.02 0.00 0.00 54.13 56.04 2kh2 s LEU 62 Cb 0.02 -3.61 -0.12 0.00 0.02 0.00 0.00 46.19 42.50 2kh2 s LEU 62 CO 0.01 0.05 1.53 1.17 0.02 0.00 0.00 176.35 179.13 2kh2 n LYS 63 N 1.60 2.52 -1.74 1.70 4.81 -0.28 -2.18 118.16 124.59 2kh2 n LYS 63 Ca -0.01 0.90 -0.13 0.00 -0.87 0.00 0.00 58.31 58.19 2kh2 n LYS 63 Cb 0.47 -2.64 -0.04 0.00 0.02 0.00 0.00 35.03 32.84 2kh2 n LYS 63 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2kh2 n GLU 64 N 1.90 -1.58 -4.22 1.64 0.00 -1.26 -4.93 120.64 112.17 2kh2 n GLU 64 Ca 0.08 0.75 -0.13 0.00 0.00 0.00 0.00 57.16 57.85 2kh2 n GLU 64 Cb 0.36 -5.12 -0.10 0.00 0.00 0.00 0.00 31.44 26.58 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 -3.77 0.98 -0.28 3.44 1.02 -0.93 -5.04 119.74 115.17 2kh2 s LYS 65 Ca 0.00 -1.39 0.10 0.00 0.02 0.00 0.00 55.97 54.71 2kh2 s LYS 65 Cb 0.00 -0.53 0.73 0.00 -0.52 0.00 0.00 37.83 37.52 2kh2 s LYS 65 CO 0.00 0.06 1.73 0.27 -0.92 0.00 0.00 175.35 176.49 2kh2 n ASN 66 N -0.06 4.96 -4.59 2.83 6.94 -1.26 -4.55 115.26 119.53 2kh2 n ASN 66 Ca -0.11 -3.06 -0.38 0.00 -0.02 0.00 0.00 54.58 51.00 2kh2 n ASN 66 Cb 0.60 -0.72 -0.10 0.00 -2.36 0.00 0.00 39.78 37.20 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 -2.74 4.03 0.09 -4.53 1.43 -1.26 -2.54 118.68 113.16 2kh2 s LEU 67 Ca 0.52 0.08 0.09 0.00 -1.03 0.00 0.00 54.13 53.79 2kh2 s LEU 67 Cb 0.41 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 2kh2 s LEU 67 CO 0.14 -0.10 -0.23 -0.31 0.23 0.00 0.00 176.35 176.08 2kh2 s TYR 68 N 1.86 1.96 -0.06 0.29 1.51 -0.95 -0.89 117.35 121.07 2kh2 s TYR 68 Ca 0.10 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.46 2kh2 s TYR 68 Cb -0.16 -1.10 -0.05 0.00 -0.11 0.00 0.00 41.96 40.54 2kh2 s TYR 68 CO 0.11 0.20 1.50 -0.51 -1.11 0.00 0.00 175.55 175.74 2kh2 s LEU 69 N -1.72 4.29 -0.06 -1.29 1.43 0.43 -1.06 118.68 120.69 2kh2 s LEU 69 Ca 0.09 2.08 0.06 0.00 -1.03 0.00 0.00 54.13 55.32 2kh2 s LEU 69 Cb -0.10 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.57 2kh2 s LEU 69 CO 0.04 -0.83 -0.23 -0.55 0.23 0.00 0.00 176.35 175.00 2kh2 s SER 70 N 2.61 3.20 -0.26 2.29 0.15 0.82 -4.41 113.70 118.10 2kh2 s SER 70 Ca 0.66 -0.47 -0.06 0.00 0.70 0.00 0.00 55.95 56.78 2kh2 s SER 70 Cb -0.30 -0.87 -0.01 0.00 -1.71 0.00 0.00 66.02 63.12 2kh2 s SER 70 CO 0.25 0.25 0.05 0.00 1.20 0.00 0.00 173.24 174.99 2kh2 s VAL 72 N 1.54 0.00 -0.24 0.00 -7.23 -0.71 -4.75 120.40 109.02 2kh2 s VAL 72 Ca 0.05 -1.86 -0.12 0.00 -1.81 0.00 0.00 61.98 58.24 2kh2 s VAL 72 Cb -0.16 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 2kh2 s VAL 72 CO 0.02 0.00 0.23 -0.76 -0.31 0.00 0.00 175.10 174.28 2kh2 s LEU 73 N -3.20 4.11 -0.23 1.32 1.02 -1.26 0.51 118.68 120.95 2kh2 s LEU 73 Ca 0.36 0.20 0.01 0.00 0.02 0.00 0.00 54.13 54.72 2kh2 s LEU 73 Cb 0.04 -2.22 0.05 0.00 0.02 0.00 0.00 46.19 44.08 2kh2 s LEU 73 CO 0.16 0.01 -0.09 -0.54 0.02 0.00 0.00 176.35 175.91 2kh2 s LYS 74 N 1.24 1.98 -0.92 1.70 1.02 0.52 -4.73 119.74 120.56 2kh2 s LYS 74 Ca 0.10 -1.04 -0.02 0.00 0.02 0.00 0.00 55.97 55.03 2kh2 s LYS 74 Cb -0.14 -2.62 -0.02 0.00 -0.52 0.00 0.00 37.83 34.52 2kh2 s LYS 74 CO 0.06 -0.52 0.78 -3.47 -0.92 0.00 0.00 175.35 171.28 2kh2 n ASP 75 N 4.60 -3.49 -2.20 2.83 4.64 -1.26 -2.86 116.55 118.81 2kh2 n ASP 75 Ca -0.14 -0.53 -0.16 0.00 -1.38 0.00 0.00 54.79 52.58 2kh2 n ASP 75 Cb 0.44 -4.26 -0.02 0.00 -1.04 0.00 0.00 41.12 36.24 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 -2.79 -4.65 -3.71 1.67 9.92 -1.26 -4.96 116.55 110.78 2kh2 n ASP 76 Ca -0.16 0.17 -0.15 0.00 -0.53 0.00 0.00 54.79 54.12 2kh2 n ASP 76 Cb 0.62 -3.98 -0.15 0.00 -0.64 0.00 0.00 41.12 36.97 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 -4.65 0.06 0.11 -1.24 2.47 -1.13 -5.12 119.74 110.25 2kh2 s LYS 77 Ca 0.00 0.47 -0.31 0.00 -1.56 0.00 0.00 55.97 54.57 2kh2 s LYS 77 Cb 0.00 -0.23 -0.10 0.00 -1.46 0.00 0.00 37.83 36.05 2kh2 s LYS 77 CO 0.00 -0.24 1.79 -2.14 0.16 0.00 0.00 175.35 174.92 2kh2 s PRO 78 N 1.74 4.15 0.11 4.03 0.02 -1.26 -0.35 135.00 143.44 2kh2 s PRO 78 Ca -0.03 2.53 0.01 0.00 0.02 0.00 0.00 61.00 63.54 2kh2 s PRO 78 Cb -0.12 -3.59 -0.04 0.00 0.02 0.00 0.00 34.50 30.77 2kh2 s PRO 78 CO -0.06 -0.82 -0.04 0.95 -0.33 0.00 0.00 177.00 176.70 2kh2 s THR 79 N 2.69 0.63 0.00 0.99 -4.23 0.18 -4.66 115.64 111.25 2kh2 s THR 79 Ca 0.79 -1.94 -0.02 0.00 -1.18 0.00 0.00 61.69 59.35 2kh2 s THR 79 Cb -0.45 -1.78 -0.04 0.00 1.34 0.00 0.00 72.50 71.57 2kh2 s THR 79 CO 0.35 -0.78 0.18 -0.22 -0.54 0.00 0.00 174.62 173.61 2kh2 s LEU 80 N -3.06 4.33 0.29 4.79 2.96 -1.26 -1.73 118.68 125.00 2kh2 s LEU 80 Ca 0.15 0.32 -0.15 0.00 -0.22 0.00 0.00 54.13 54.22 2kh2 s LEU 80 Cb 0.06 -2.65 0.01 0.00 0.50 0.00 0.00 46.19 44.11 2kh2 s LEU 80 CO -0.03 0.25 0.61 0.00 -1.32 0.00 0.00 176.35 175.86 2kh2 s GLN 81 N -2.03 1.78 -0.31 1.98 -2.07 -0.04 -4.85 119.66 114.13 2kh2 s GLN 81 Ca 0.28 -1.25 -0.08 0.00 -1.82 0.00 0.00 55.36 52.50 2kh2 s GLN 81 Cb -0.13 0.54 0.01 0.00 -1.09 0.00 0.00 33.01 32.34 2kh2 s GLN 81 CO 0.20 -0.78 0.11 -0.51 -1.32 0.00 0.00 175.29 172.98 2kh2 s LEU 82 N -3.02 3.98 -0.15 2.60 2.01 -1.26 -0.13 118.68 122.72 2kh2 s LEU 82 Ca 0.18 -0.70 -0.10 0.00 0.01 0.00 0.00 54.13 53.52 2kh2 s LEU 82 Cb -0.03 -1.92 -0.05 0.00 0.01 0.00 0.00 46.19 44.20 2kh2 s LEU 82 CO 0.10 -0.21 0.19 -0.70 1.01 0.00 0.00 176.35 176.74 2kh2 s GLU 83 N 1.53 3.90 -0.55 1.70 2.12 -0.22 -4.90 118.70 122.28 2kh2 s GLU 83 Ca 0.03 -0.07 -0.20 0.00 0.36 0.00 0.00 54.97 55.09 2kh2 s GLU 83 Cb -0.17 -3.32 0.07 0.00 0.26 0.00 0.00 34.13 30.97 2kh2 s GLU 83 CO 0.04 0.50 0.71 -1.12 -0.54 0.00 0.00 175.26 174.84 2kh2 s SER 84 N -0.26 6.21 0.34 -1.70 0.01 -1.26 -2.23 113.70 114.82 2kh2 s SER 84 Ca 0.14 -1.06 0.08 0.00 1.31 0.00 0.00 55.95 56.42 2kh2 s SER 84 Cb -0.12 -2.32 -0.03 0.00 0.21 0.00 0.00 66.02 63.76 2kh2 s SER 84 CO 0.03 -1.05 0.25 0.68 0.41 0.00 0.00 173.24 173.56 2kh2 s VAL 85 N 2.89 3.34 -0.08 3.43 -7.23 -1.05 -5.05 120.40 116.65 2kh2 s VAL 85 Ca 0.16 -1.47 -0.32 0.00 -1.81 0.00 0.00 61.98 58.53 2kh2 s VAL 85 Cb -0.20 -3.11 -0.10 0.00 0.56 0.00 0.00 36.38 33.52 2kh2 s VAL 85 CO 0.10 -0.17 1.97 -0.67 -0.31 0.00 0.00 175.10 176.02 2kh2 n ASP 86 N -1.31 3.60 0.05 4.85 4.64 -1.26 -4.84 116.55 122.29 2kh2 n ASP 86 Ca -0.02 0.83 0.09 0.00 -1.38 0.00 0.00 54.79 54.31 2kh2 n ASP 86 Cb 0.60 -1.44 0.38 0.00 -1.04 0.00 0.00 41.12 39.62 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 7.28 0.07 0.05 -0.67 -0.04 -1.26 -2.25 135.00 138.18 2kh2 n PRO 87 Ca 0.24 0.32 0.11 0.00 -0.04 0.00 0.00 63.50 64.12 2kh2 n PRO 87 Cb 0.35 -1.64 -0.07 0.00 -0.04 0.00 0.00 33.50 32.10 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 -1.77 0.59 -0.03 0.54 2.85 -1.26 -4.08 118.16 114.99 2kh2 n LYS 88 Ca 0.03 -0.02 0.09 0.00 -1.05 0.00 0.00 58.31 57.36 2kh2 n LYS 88 Cb 0.19 -1.68 0.09 0.00 -0.65 0.00 0.00 35.03 32.98 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 -2.43 2.58 -4.16 -5.58 3.02 -1.01 -4.96 115.26 102.73 2kh2 n ASN 89 Ca -0.01 -1.77 -0.19 0.00 -0.03 0.00 0.00 54.58 52.58 2kh2 n ASN 89 Cb 0.54 -0.04 -0.12 0.00 -0.61 0.00 0.00 39.78 39.55 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 -1.42 1.23 0.92 3.10 1.51 -0.96 -4.46 117.35 117.27 2kh2 s TYR 90 Ca 0.22 -0.42 -0.12 0.00 -1.01 0.00 0.00 57.07 55.75 2kh2 s TYR 90 Cb 0.15 -0.71 0.20 0.00 -0.11 0.00 0.00 41.96 41.50 2kh2 s TYR 90 CO 0.22 0.05 1.25 -1.25 -1.11 0.00 0.00 175.55 174.72 2kh2 s PRO 91 N -1.54 0.70 0.12 -1.71 0.04 -1.26 -4.79 135.00 126.57 2kh2 s PRO 91 Ca -0.01 -0.77 -0.10 0.00 0.04 0.00 0.00 61.00 60.16 2kh2 s PRO 91 Cb -0.09 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2kh2 s PRO 91 CO 0.02 -2.28 0.27 -1.59 0.04 0.00 0.00 177.00 173.45 2kh2 s LYS 92 N -5.72 1.00 0.08 4.56 -2.85 -1.26 -5.07 119.74 110.48 2kh2 s LYS 92 Ca 0.74 -0.99 -0.18 0.00 -1.00 0.00 0.00 55.97 54.55 2kh2 s LYS 92 Cb -0.03 0.38 -0.10 0.00 -2.06 0.00 0.00 37.83 36.02 2kh2 s LYS 92 CO 0.51 -0.35 1.42 -0.22 0.10 0.00 0.00 175.35 176.81 2kh2 h LYS 93 N 2.60 0.52 -3.66 1.78 3.64 -1.97 -3.36 116.57 116.12 2kh2 h LYS 93 Ca -0.33 -0.24 -0.77 0.00 -1.27 0.00 0.00 60.65 58.03 2kh2 h LYS 93 Cb 1.22 -0.01 -0.29 0.00 -0.41 0.00 0.00 32.23 32.74 2kh2 h LYS 93 CO 0.51 0.81 0.13 0.21 -2.27 0.00 0.00 179.45 178.84 2kh2 s LYS 94 N -4.52 3.63 0.67 1.90 2.47 -1.26 -2.14 119.74 120.49 2kh2 s LYS 94 Ca -0.13 -2.80 -0.08 0.00 -1.56 0.00 0.00 55.97 51.40 2kh2 s LYS 94 Cb 0.07 -4.33 0.03 0.00 -1.46 0.00 0.00 37.83 32.14 2kh2 s LYS 94 CO 0.78 -1.26 1.00 -1.64 0.16 0.00 0.00 175.35 174.39 2kh2 s MET 95 N -0.47 2.60 0.50 4.03 -1.94 -1.26 -5.03 119.30 117.72 2kh2 s MET 95 Ca 0.23 0.02 -0.23 0.00 -1.71 0.00 0.00 55.69 54.00 2kh2 s MET 95 Cb -0.11 -2.16 -0.06 0.00 2.01 0.00 0.00 34.83 34.51 2kh2 s MET 95 CO -0.08 -1.02 1.34 -1.21 -0.01 0.00 0.00 175.02 174.04 2kh2 s GLU 96 N -5.20 3.42 0.62 2.03 8.01 -1.26 -4.87 118.70 121.45 2kh2 s GLU 96 Ca 0.57 2.20 0.32 0.00 0.01 0.00 0.00 54.97 58.07 2kh2 s GLU 96 Cb -0.11 -2.41 1.82 0.00 -4.31 0.00 0.00 34.13 29.12 2kh2 s GLU 96 CO 0.47 -0.95 2.14 -0.22 0.01 0.00 0.00 175.26 176.70 2kh2 h LYS 97 N 1.84 0.00 -0.00 1.61 3.64 -1.96 0.12 116.57 121.83 2kh2 h LYS 97 Ca -0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2kh2 h LYS 97 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2kh2 h LYS 97 CO 0.59 0.00 -0.01 2.89 -2.27 0.00 0.00 179.45 180.65 2kh2 n ARG 98 N -3.52 0.20 0.00 1.90 1.85 -1.26 -3.00 116.66 112.82 2kh2 n ARG 98 Ca -0.00 -0.00 0.05 0.00 -1.00 0.00 0.00 57.85 56.90 2kh2 n ARG 98 Cb 0.27 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.21 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 -1.40 0.00 -3.54 2.89 3.72 0.42 -1.30 117.46 118.25 2kh2 n PHE 99 Ca 0.10 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.13 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 -0.94 5.29 0.09 -4.37 1.01 -1.10 -3.99 120.40 116.38 2kh2 s VAL 100 Ca 0.11 0.40 0.08 0.00 0.00 0.00 0.00 61.98 62.58 2kh2 s VAL 100 Cb 0.09 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 2kh2 s VAL 100 CO 0.15 0.30 -0.16 -0.36 0.00 0.00 0.00 175.10 175.02 2kh2 s PHE 101 N 1.23 2.59 -0.49 5.22 0.40 0.12 -1.77 117.98 125.29 2kh2 s PHE 101 Ca 0.12 -0.23 -0.15 0.00 -0.60 0.00 0.00 56.93 56.07 2kh2 s PHE 101 Cb -0.14 -1.40 0.09 0.00 0.51 0.00 0.00 43.02 42.08 2kh2 s PHE 101 CO 0.06 0.36 0.41 1.21 0.70 0.00 0.00 175.22 177.96 2kh2 s ASN 102 N -1.94 6.09 -0.53 1.36 3.04 0.23 -0.88 114.94 122.31 2kh2 s ASN 102 Ca 0.18 -1.52 -0.28 0.00 0.04 0.00 0.00 52.86 51.28 2kh2 s ASN 102 Cb -0.11 -2.16 0.02 0.00 -1.54 0.00 0.00 41.25 37.46 2kh2 s ASN 102 CO 0.09 -0.71 1.35 -0.75 -3.04 0.00 0.00 177.10 174.05 2kh2 s LYS 103 N 1.59 3.42 -0.03 0.43 2.20 0.10 -1.90 119.74 125.56 2kh2 s LYS 103 Ca 0.04 0.51 -0.21 0.00 -0.36 0.00 0.00 55.97 55.94 2kh2 s LYS 103 Cb -0.26 -4.07 -0.05 0.00 -1.51 0.00 0.00 37.83 31.94 2kh2 s LYS 103 CO 0.05 -1.78 0.61 0.42 -0.36 0.00 0.00 175.35 174.29 2kh2 s ILE 104 N 5.62 4.98 -0.70 5.43 1.01 0.98 -0.84 121.20 137.67 2kh2 s ILE 104 Ca 0.52 1.27 0.05 0.00 0.00 0.00 0.00 60.65 62.49 2kh2 s ILE 104 Cb -0.10 -3.95 0.17 0.00 0.01 0.00 0.00 42.46 38.59 2kh2 s ILE 104 CO 0.27 0.36 0.49 -1.61 0.00 0.00 0.00 174.94 174.45 2kh2 s GLU 105 N 0.19 2.42 -0.00 2.79 2.02 -0.99 -0.85 118.70 124.28 2kh2 s GLU 105 Ca 0.32 -3.32 -0.03 0.00 0.02 0.00 0.00 54.97 51.96 2kh2 s GLU 105 Cb -0.18 -3.35 -0.01 0.00 0.10 0.00 0.00 34.13 30.68 2kh2 s GLU 105 CO 0.17 -1.29 0.53 -0.84 0.02 0.00 0.00 175.26 173.85 2kh2 h ILE 106 N 4.38 0.00 0.00 -1.63 3.07 -1.88 -3.48 117.51 117.97 2kh2 h ILE 106 Ca 0.15 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 66.49 2kh2 h ILE 106 Cb 0.76 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.31 2kh2 h ILE 106 CO 0.71 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.35 2kh2 n ASN 107 N -2.47 0.00 -0.39 2.16 0.23 -1.26 -4.98 115.26 108.56 2kh2 n ASN 107 Ca -0.01 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.09 2kh2 n ASN 107 Cb 0.04 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 37.77 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 1.72 -4.51 0.53 5.03 -1.26 -4.96 115.26 111.81 2kh2 n ASN 108 Ca 0.00 -1.36 -0.30 0.00 0.87 0.00 0.00 54.58 53.79 2kh2 n ASN 108 Cb 0.00 0.17 -0.11 0.00 -1.02 0.00 0.00 39.78 38.81 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 -1.13 2.05 0.05 3.52 -0.14 -1.26 -4.78 119.74 118.05 2kh2 s LYS 109 Ca 0.12 -1.02 0.06 0.00 -1.36 0.00 0.00 55.97 53.78 2kh2 s LYS 109 Cb 0.09 -2.23 -0.03 0.00 -1.68 0.00 0.00 37.83 33.98 2kh2 s LYS 109 CO 0.19 0.52 -0.15 -0.51 -0.76 0.00 0.00 175.35 174.64 2kh2 s LEU 110 N -1.79 2.76 -0.03 3.17 1.43 0.28 -3.67 118.68 120.82 2kh2 s LEU 110 Ca 0.17 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 2kh2 s LEU 110 Cb -0.11 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 2kh2 s LEU 110 CO 0.09 0.25 -0.06 -1.61 0.23 0.00 0.00 176.35 175.25 2kh2 s GLU 111 N -1.55 2.68 -0.51 1.70 2.02 -0.03 0.08 118.70 123.09 2kh2 s GLU 111 Ca 0.16 -0.62 -0.00 0.00 0.02 0.00 0.00 54.97 54.52 2kh2 s GLU 111 Cb -0.11 -2.57 0.13 0.00 0.10 0.00 0.00 34.13 31.69 2kh2 s GLU 111 CO 0.07 0.63 0.29 -0.06 0.02 0.00 0.00 175.26 176.21 2kh2 s PHE 112 N -0.93 3.45 0.20 1.61 0.08 -1.26 -0.01 117.98 121.12 2kh2 s PHE 112 Ca 0.15 -2.78 -0.11 0.00 0.12 0.00 0.00 56.93 54.31 2kh2 s PHE 112 Cb -0.11 -3.09 -0.07 0.00 -0.57 0.00 0.00 43.02 39.18 2kh2 s PHE 112 CO 0.05 -0.87 0.54 -2.00 -0.10 0.00 0.00 175.22 172.84 2kh2 s GLU 113 N 0.33 3.85 -0.01 0.44 2.12 -0.80 -2.42 118.70 122.22 2kh2 s GLU 113 Ca 0.14 0.34 -0.22 0.00 0.36 0.00 0.00 54.97 55.58 2kh2 s GLU 113 Cb -0.22 -2.75 -0.05 0.00 0.26 0.00 0.00 34.13 31.37 2kh2 s GLU 113 CO -0.03 0.38 0.66 0.45 -0.54 0.00 0.00 175.26 176.18 2kh2 s SER 114 N -2.13 7.03 0.25 -1.70 0.15 -0.23 0.75 113.70 117.83 2kh2 s SER 114 Ca 0.44 1.23 0.04 0.00 0.70 0.00 0.00 55.95 58.36 2kh2 s SER 114 Cb -0.13 -2.40 0.31 0.00 -1.71 0.00 0.00 66.02 62.10 2kh2 s SER 114 CO 0.20 0.03 1.61 0.00 1.20 0.00 0.00 173.24 176.28 2kh2 h ALA 115 N 5.94 0.94 -0.57 5.45 0.00 -1.56 -2.96 119.26 126.49 2kh2 h ALA 115 Ca -0.44 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 53.91 2kh2 h ALA 115 Cb 1.20 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2kh2 h ALA 115 CO 0.71 0.66 0.02 0.37 0.00 0.00 0.00 179.25 181.02 2kh2 h GLN 116 N 0.24 0.99 -3.98 0.00 5.75 -1.75 -3.39 115.11 112.96 2kh2 h GLN 116 Ca 0.01 -0.30 -0.61 0.00 -0.15 0.00 0.00 58.65 57.60 2kh2 h GLN 116 Cb 0.97 -0.10 -0.40 0.00 1.07 0.00 0.00 27.48 29.03 2kh2 h GLN 116 CO 0.08 0.98 -0.75 -0.06 -2.65 0.00 0.00 178.83 176.43 2kh2 s PHE 117 N -5.07 2.42 0.38 3.99 0.08 -1.12 -5.08 117.98 113.58 2kh2 s PHE 117 Ca -0.12 -2.14 -0.27 0.00 0.12 0.00 0.00 56.93 54.52 2kh2 s PHE 117 Cb 0.13 -2.09 -0.10 0.00 -0.57 0.00 0.00 43.02 40.39 2kh2 s PHE 117 CO 0.84 -0.89 1.35 -2.14 -0.10 0.00 0.00 175.22 174.28 2kh2 s PRO 118 N 1.37 4.09 0.00 0.24 0.02 -1.21 -2.49 135.00 137.01 2kh2 s PRO 118 Ca 0.09 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.39 2kh2 s PRO 118 Cb -0.18 -2.89 0.00 0.00 0.02 0.00 0.00 34.50 31.46 2kh2 s PRO 118 CO -0.18 -0.44 0.00 0.09 -0.33 0.00 0.00 177.00 176.14 2kh2 n ASN 119 N 0.37 -2.32 -4.35 2.53 5.03 -1.26 -5.00 115.26 110.26 2kh2 n ASN 119 Ca 0.02 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.11 2kh2 n ASN 119 Cb 0.42 -0.91 -0.13 0.00 -1.02 0.00 0.00 39.78 38.14 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 -2.36 3.09 0.27 3.10 0.52 -1.04 -4.45 118.94 118.07 2kh2 s TRP 120 Ca 0.00 -0.90 0.11 0.00 0.02 0.00 0.00 56.10 55.34 2kh2 s TRP 120 Cb 0.00 -2.20 -0.05 0.00 -1.15 0.00 0.00 33.47 30.07 2kh2 s TRP 120 CO 0.00 -0.54 -0.13 0.71 0.02 0.00 0.00 176.95 177.01 2kh2 s TYR 121 N 1.51 2.43 -0.41 -1.98 1.51 0.05 -1.06 117.35 119.40 2kh2 s TYR 121 Ca 0.04 -0.29 -0.28 0.00 -1.01 0.00 0.00 57.07 55.52 2kh2 s TYR 121 Cb -0.16 -1.07 -0.01 0.00 -0.11 0.00 0.00 41.96 40.61 2kh2 s TYR 121 CO 0.01 0.68 1.70 0.42 -1.11 0.00 0.00 175.55 177.25 2kh2 s ILE 122 N -2.41 3.57 0.16 2.71 1.01 -1.01 -0.36 121.20 124.86 2kh2 s ILE 122 Ca 0.30 0.55 0.04 0.00 0.00 0.00 0.00 60.65 61.54 2kh2 s ILE 122 Cb -0.06 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 2kh2 s ILE 122 CO 0.16 -0.62 0.21 -0.44 0.00 0.00 0.00 174.94 174.26 2kh2 s SER 123 N 5.85 5.90 -0.08 3.58 0.01 0.55 -4.52 113.70 124.98 2kh2 s SER 123 Ca 0.72 0.00 -0.05 0.00 1.31 0.00 0.00 55.95 57.93 2kh2 s SER 123 Cb -0.18 -1.66 0.03 0.00 0.21 0.00 0.00 66.02 64.43 2kh2 s SER 123 CO 0.31 0.05 0.19 -0.89 0.41 0.00 0.00 173.24 173.31 2kh2 s THR 124 N -1.77 -0.03 0.84 1.44 2.01 -0.88 -2.91 115.64 114.34 2kh2 s THR 124 Ca 0.33 0.11 -0.12 0.00 0.31 0.00 0.00 61.69 62.32 2kh2 s THR 124 Cb -0.10 -0.29 0.10 0.00 0.01 0.00 0.00 72.50 72.21 2kh2 s THR 124 CO 0.26 0.04 1.12 -0.44 -0.69 0.00 0.00 174.62 174.92 2kh2 s SER 125 N 0.84 4.14 0.46 3.53 0.01 -1.26 -0.06 113.70 121.35 2kh2 s SER 125 Ca -0.06 1.08 0.26 0.00 1.31 0.00 0.00 55.95 58.53 2kh2 s SER 125 Cb -0.08 -1.72 0.85 0.00 0.21 0.00 0.00 66.02 65.28 2kh2 s SER 125 CO -0.05 -2.17 1.79 1.56 0.41 0.00 0.00 173.24 174.78 2kh2 h GLN 126 N -1.23 0.00 -7.12 12.44 1.08 -1.97 -3.46 115.11 114.85 2kh2 h GLN 126 Ca -0.48 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.18 2kh2 h GLN 126 Cb 1.30 0.00 0.13 0.00 -0.05 0.00 0.00 27.48 28.86 2kh2 h GLN 126 CO 0.62 0.14 0.46 0.00 -0.95 0.00 0.00 178.83 179.10 2kh2 s ALA 127 N -3.49 2.44 0.27 3.87 0.00 -1.26 -5.00 121.76 118.59 2kh2 s ALA 127 Ca 0.02 1.00 -0.21 0.00 0.00 0.00 0.00 51.96 52.78 2kh2 s ALA 127 Cb 0.08 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 2kh2 s ALA 127 CO 0.63 -1.37 0.80 -2.00 0.00 0.00 0.00 175.76 173.82 2kh2 s GLU 128 N -3.47 4.30 -0.79 0.00 2.56 -1.26 -4.05 118.70 115.99 2kh2 s GLU 128 Ca 0.77 0.97 -0.03 0.00 0.00 0.00 0.00 54.97 56.68 2kh2 s GLU 128 Cb -0.31 -2.75 0.00 0.00 2.00 0.00 0.00 34.13 33.07 2kh2 s GLU 128 CO 0.37 0.30 0.44 -1.71 -0.56 0.00 0.00 175.26 174.10 2kh2 n ASN 129 N 0.44 -4.11 -4.87 -1.70 5.15 -1.23 -5.03 115.26 103.92 2kh2 n ASN 129 Ca 0.00 -0.20 -0.37 0.00 -0.60 0.00 0.00 54.58 53.41 2kh2 n ASN 129 Cb 0.51 -2.88 -0.06 0.00 -0.53 0.00 0.00 39.78 36.82 2kh2 n ASN 129 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2kh2 s MET 130 N -5.35 3.50 0.98 1.20 -1.94 -1.22 -4.90 119.30 111.56 2kh2 s MET 130 Ca 0.22 -0.14 -0.15 0.00 -1.71 0.00 0.00 55.69 53.91 2kh2 s MET 130 Cb -0.10 -3.21 0.19 0.00 2.01 0.00 0.00 34.83 33.72 2kh2 s MET 130 CO 0.27 0.74 1.22 -2.14 -0.01 0.00 0.00 175.02 175.10 2kh2 s PRO 131 N -0.92 0.57 0.21 2.03 0.02 -1.26 -0.61 135.00 135.03 2kh2 s PRO 131 Ca 0.14 -0.12 -0.07 0.00 0.02 0.00 0.00 61.00 60.97 2kh2 s PRO 131 Cb -0.12 -1.81 -0.06 0.00 0.02 0.00 0.00 34.50 32.53 2kh2 s PRO 131 CO 0.04 -2.51 0.49 0.14 -0.33 0.00 0.00 177.00 174.83 2kh2 s VAL 132 N -3.54 5.02 0.30 3.83 -7.23 -0.98 -4.76 120.40 113.04 2kh2 s VAL 132 Ca 0.69 0.28 -0.18 0.00 -1.81 0.00 0.00 61.98 60.97 2kh2 s VAL 132 Cb -0.08 -3.63 0.02 0.00 0.56 0.00 0.00 36.38 33.25 2kh2 s VAL 132 CO 0.53 -0.07 0.69 0.72 -0.31 0.00 0.00 175.10 176.67 2kh2 s PHE 133 N -1.80 0.01 -0.21 2.82 -0.12 -1.15 -4.86 117.98 112.69 2kh2 s PHE 133 Ca 0.45 -0.50 -0.09 0.00 -0.05 0.00 0.00 56.93 56.74 2kh2 s PHE 133 Cb -0.11 0.63 -0.05 0.00 -0.63 0.00 0.00 43.02 42.86 2kh2 s PHE 133 CO 0.23 -1.28 0.11 -1.17 -0.05 0.00 0.00 175.22 173.06 2kh2 s LEU 134 N -2.98 4.01 0.15 -1.99 2.96 -1.26 -0.33 118.68 119.23 2kh2 s LEU 134 Ca 0.14 0.13 0.05 0.00 -0.22 0.00 0.00 54.13 54.24 2kh2 s LEU 134 Cb -0.05 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 2kh2 s LEU 134 CO 0.09 0.14 -0.12 -0.83 -1.32 0.00 0.00 176.35 174.31 2kh2 s GLY 135 N 0.59 1.13 0.00 7.98 0.00 0.51 -4.82 107.32 112.71 2kh2 s GLY 135 Ca 0.06 -1.46 0.09 0.00 0.00 0.00 0.00 44.72 43.41 2kh2 s GLY 135 CO 0.01 -1.54 1.18 0.61 0.00 0.00 0.00 173.10 173.36 2kh2 n GLY 136 N 0.00 2.66 3.44 0.20 0.00 -1.26 -0.77 105.19 109.46 2kh2 n GLY 136 Ca -0.11 -0.30 -0.44 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.99 5.21 -0.28 2.61 -4.23 -1.26 -4.94 115.64 111.76 2kh2 s THR 137 Ca 0.18 -2.71 -0.29 0.00 -1.18 0.00 0.00 61.69 57.70 2kh2 s THR 137 Cb 0.09 -4.84 -0.03 0.00 1.34 0.00 0.00 72.50 69.07 2kh2 s THR 137 CO 0.12 -1.52 1.82 -0.75 -0.54 0.00 0.00 174.62 173.76 2kh2 s LYS 138 N 1.08 3.42 -0.72 3.99 2.20 -1.26 -2.55 119.74 125.90 2kh2 s LYS 138 Ca 0.39 1.59 -0.00 0.00 -0.36 0.00 0.00 55.97 57.59 2kh2 s LYS 138 Cb -0.04 -4.19 0.00 0.00 -1.51 0.00 0.00 37.83 32.09 2kh2 s LYS 138 CO -0.02 -1.75 0.06 0.41 -0.36 0.00 0.00 175.35 173.68 2kh2 n GLY 139 N 5.30 0.05 0.00 5.54 0.00 -1.26 -5.02 105.19 109.79 2kh2 n GLY 139 Ca 0.23 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.02 0.58 0.14 -0.02 0.00 -1.06 -4.99 105.19 98.83 2kh2 n GLY 140 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 0.41 -7.19 1.61 7.50 -1.96 -3.46 115.11 112.03 2kh2 h GLN 141 Ca 0.00 -0.71 -0.48 0.00 0.50 0.00 0.00 58.65 57.96 2kh2 h GLN 141 Cb 0.00 0.26 0.04 0.00 0.05 0.00 0.00 27.48 27.83 2kh2 h GLN 141 CO 0.00 1.34 0.38 -0.51 -1.50 0.00 0.00 178.83 178.54 2kh2 s ASP 142 N -7.33 6.25 -0.10 1.46 1.01 -1.26 -4.57 116.67 112.12 2kh2 s ASP 142 Ca -0.15 1.70 -0.23 0.00 0.71 0.00 0.00 52.55 54.58 2kh2 s ASP 142 Cb 0.05 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 2kh2 s ASP 142 CO 0.87 -0.84 0.71 -0.63 0.21 0.00 0.00 175.17 175.48 2kh2 s ILE 143 N -2.51 5.02 -0.48 0.77 1.01 0.91 -4.58 121.20 121.34 2kh2 s ILE 143 Ca 0.61 1.44 0.04 0.00 0.00 0.00 0.00 60.65 62.75 2kh2 s ILE 143 Cb -0.13 -4.04 0.02 0.00 0.01 0.00 0.00 42.46 38.32 2kh2 s ILE 143 CO 0.33 0.20 0.53 0.35 0.00 0.00 0.00 174.94 176.35 2kh2 n THR 144 N 4.05 0.00 -4.52 2.92 -2.24 -1.26 -2.07 114.28 111.16 2kh2 n THR 144 Ca -0.00 -0.48 -0.32 0.00 -2.27 0.00 0.00 64.05 60.98 2kh2 n THR 144 Cb 0.51 1.07 -0.11 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.61 4.50 0.34 3.42 -4.77 -1.26 -4.18 116.67 114.10 2kh2 s ASP 145 Ca 0.04 -0.17 0.04 0.00 -3.30 0.00 0.00 52.55 49.16 2kh2 s ASP 145 Cb 0.04 -1.02 -0.03 0.00 -1.09 0.00 0.00 42.92 40.81 2kh2 s ASP 145 CO 0.08 0.29 0.16 -0.36 0.70 0.00 0.00 175.17 176.04 2kh2 s PHE 146 N -0.95 1.69 0.05 2.11 0.08 0.11 -3.61 117.98 117.46 2kh2 s PHE 146 Ca 0.16 -1.35 0.06 0.00 0.12 0.00 0.00 56.93 55.92 2kh2 s PHE 146 Cb -0.11 -0.95 -0.03 0.00 -0.57 0.00 0.00 43.02 41.35 2kh2 s PHE 146 CO 0.06 -0.46 -0.14 0.95 -0.10 0.00 0.00 175.22 175.53 2kh2 s THR 147 N -3.46 3.09 -0.32 0.64 -4.23 0.78 -0.55 115.64 111.58 2kh2 s THR 147 Ca 0.33 -1.13 -0.08 0.00 -1.18 0.00 0.00 61.69 59.62 2kh2 s THR 147 Cb 0.04 -2.35 0.01 0.00 1.34 0.00 0.00 72.50 71.55 2kh2 s THR 147 CO 0.18 0.29 0.13 -0.32 -0.54 0.00 0.00 174.62 174.35 2kh2 s MET 148 N -1.63 3.01 -0.32 3.99 1.75 -1.26 -3.37 119.30 121.47 2kh2 s MET 148 Ca 0.17 -0.93 0.01 0.00 -1.25 0.00 0.00 55.69 53.69 2kh2 s MET 148 Cb -0.11 -3.51 0.08 0.00 2.84 0.00 0.00 34.83 34.13 2kh2 s MET 148 CO 0.08 -0.53 0.01 -0.65 -0.65 0.00 0.00 175.02 173.28 2kh2 s GLN 149 N 1.52 2.05 0.10 4.11 1.11 -0.84 -4.97 119.66 122.74 2kh2 s GLN 149 Ca 0.02 -1.54 -0.28 0.00 0.01 0.00 0.00 55.36 53.57 2kh2 s GLN 149 Cb -0.18 -3.17 -0.06 0.00 -1.01 0.00 0.00 33.01 28.60 2kh2 s GLN 149 CO 0.04 -0.76 0.90 -0.06 0.01 0.00 0.00 175.29 175.42 2kh2 s PHE 150 N 1.10 3.80 0.00 0.91 0.08 -1.26 -1.01 117.98 121.59 2kh2 s PHE 150 Ca 0.00 1.71 0.00 0.00 0.12 0.00 0.00 56.93 58.76 2kh2 s PHE 150 Cb -0.20 -2.98 0.00 0.00 -0.57 0.00 0.00 43.02 39.27 2kh2 s PHE 150 CO -0.05 0.25 0.00 1.33 -0.10 0.00 0.00 175.22 176.65 2kh2 n VAL 151 N 2.70 0.00 -2.00 -0.44 0.24 -1.21 -5.00 118.33 112.62 2kh2 n VAL 151 Ca 0.01 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.88 2kh2 n VAL 151 Cb 0.49 -0.17 -0.03 0.00 -1.47 0.00 0.00 33.84 32.67 2kh2 n VAL 151 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2kh2 s SER 152 N -0.44 6.05 0.00 -1.34 1.04 -1.26 -4.94 113.70 112.81 2kh2 s SER 152 Ca 0.00 1.50 0.00 0.00 0.48 0.00 0.00 55.95 57.93 2kh2 s SER 152 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2kh2 s SER 152 CO 0.00 -1.55 0.00 -1.20 0.98 0.00 0.00 173.24 171.47