#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 0.85 -4.77 0.00 0.13 -2.07 -3.39 132.00 122.75 2kh2 h PRO 2 Ca 0.00 -0.20 -0.68 0.00 -0.87 0.00 0.00 66.00 64.25 2kh2 h PRO 2 Cb 0.00 -0.11 -0.33 0.00 0.13 0.00 0.00 31.00 30.69 2kh2 h PRO 2 CO 0.00 0.80 -0.70 0.54 -0.23 0.00 0.00 178.00 178.41 2kh2 s VAL 3 N -5.32 2.96 0.14 1.56 0.11 -1.26 -5.03 120.40 113.56 2kh2 s VAL 3 Ca -0.13 -1.42 0.05 0.00 -2.93 0.00 0.00 61.98 57.55 2kh2 s VAL 3 Cb 0.12 -2.72 -0.04 0.00 -1.53 0.00 0.00 36.38 32.21 2kh2 s VAL 3 CO 0.80 -0.12 0.10 -0.13 -3.33 0.00 0.00 175.10 172.42 2kh2 s ARG 4 N 1.24 2.84 -0.02 1.54 0.52 -1.26 -5.08 118.95 118.73 2kh2 s ARG 4 Ca -0.05 -0.84 -0.25 0.00 -0.52 0.00 0.00 55.73 54.07 2kh2 s ARG 4 Cb -0.20 -2.64 0.06 0.00 0.52 0.00 0.00 34.95 32.68 2kh2 s ARG 4 CO -0.01 0.51 0.56 -1.12 0.02 0.00 0.00 175.30 175.25 2kh2 s SER 5 N -2.86 -0.50 0.31 0.23 0.01 -1.26 -3.49 113.70 106.14 2kh2 s SER 5 Ca 0.30 0.45 0.05 0.00 1.31 0.00 0.00 55.95 58.06 2kh2 s SER 5 Cb -0.11 0.48 -0.06 0.00 0.21 0.00 0.00 66.02 66.54 2kh2 s SER 5 CO 0.22 -0.60 0.02 -1.48 0.41 0.00 0.00 173.24 171.81 2kh2 s LEU 6 N -1.40 2.34 -0.02 2.44 0.05 -1.03 -4.94 118.68 116.11 2kh2 s LEU 6 Ca -0.10 -1.31 0.05 0.00 0.05 0.00 0.00 54.13 52.82 2kh2 s LEU 6 Cb -0.01 -0.50 -0.03 0.00 -2.05 0.00 0.00 46.19 43.60 2kh2 s LEU 6 CO 0.06 -0.51 -0.17 0.20 -0.55 0.00 0.00 176.35 175.38 2kh2 s ASN 7 N -3.49 3.79 0.16 1.48 0.01 -1.26 -0.39 114.94 115.24 2kh2 s ASN 7 Ca 0.34 -0.30 -0.23 0.00 -0.71 0.00 0.00 52.86 51.96 2kh2 s ASN 7 Cb 0.07 -0.70 0.07 0.00 0.41 0.00 0.00 41.25 41.10 2kh2 s ASN 7 CO 0.14 0.32 0.63 0.00 -1.51 0.00 0.00 177.10 176.69 2kh2 s THR 9 N -3.72 3.71 -0.14 0.00 2.01 0.11 -0.84 115.64 116.76 2kh2 s THR 9 Ca 0.02 -0.59 -0.04 0.00 0.31 0.00 0.00 61.69 61.39 2kh2 s THR 9 Cb -0.01 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 2kh2 s THR 9 CO -0.11 0.51 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.55 2kh2 s LEU 10 N -1.08 3.36 0.01 4.42 1.43 -1.26 -1.77 118.68 123.79 2kh2 s LEU 10 Ca 0.14 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 2kh2 s LEU 10 Cb -0.11 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 2kh2 s LEU 10 CO 0.04 0.22 -0.08 -0.13 0.23 0.00 0.00 176.35 176.63 2kh2 s ARG 11 N 0.09 0.59 0.82 1.70 0.52 -1.22 -4.23 118.95 117.23 2kh2 s ARG 11 Ca 0.00 -0.42 -0.14 0.00 -0.52 0.00 0.00 55.73 54.66 2kh2 s ARG 11 Cb -0.13 -0.53 0.19 0.00 0.52 0.00 0.00 34.95 34.99 2kh2 s ARG 11 CO 0.02 0.14 1.08 -0.40 0.02 0.00 0.00 175.30 176.16 2kh2 n ASP 12 N 2.48 -0.08 0.00 0.23 5.68 -1.20 0.11 116.55 123.77 2kh2 n ASP 12 Ca -0.16 -1.37 0.01 0.00 -0.50 0.00 0.00 54.79 52.77 2kh2 n ASP 12 Cb 0.57 -0.84 0.04 0.00 -1.14 0.00 0.00 41.12 39.75 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 -3.78 0.00 -0.59 -1.12 7.64 -1.25 -0.51 113.62 114.01 2kh2 n SER 13 Ca 0.14 0.39 0.06 0.00 1.01 0.00 0.00 58.87 60.47 2kh2 n SER 13 Cb 0.48 -0.41 0.10 0.00 -1.01 0.00 0.00 64.21 63.37 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 -1.41 1.66 -2.21 1.43 1.13 -1.26 -4.97 117.38 111.76 2kh2 n GLN 14 Ca 0.01 -1.63 -0.13 0.00 -1.94 0.00 0.00 57.00 53.31 2kh2 n GLN 14 Cb 0.02 -1.27 -0.01 0.00 0.11 0.00 0.00 30.24 29.09 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 0.67 -1.06 -2.28 -1.09 1.13 0.34 -4.99 117.38 110.10 2kh2 n GLN 15 Ca 0.10 0.66 -0.33 0.00 -1.94 0.00 0.00 57.00 55.49 2kh2 n GLN 15 Cb 0.37 -4.90 -0.01 0.00 0.11 0.00 0.00 30.24 25.81 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 -4.59 3.57 0.12 -1.09 1.02 -1.26 -4.51 119.74 113.00 2kh2 s LYS 16 Ca 0.00 1.25 0.09 0.00 0.02 0.00 0.00 55.97 57.33 2kh2 s LYS 16 Cb 0.00 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 35.20 2kh2 s LYS 16 CO 0.00 -0.61 -0.19 -1.12 -0.92 0.00 0.00 175.35 172.51 2kh2 s SER 17 N -2.47 3.83 -0.18 2.83 0.01 0.16 -3.27 113.70 114.61 2kh2 s SER 17 Ca 0.65 -0.58 -0.21 0.00 1.31 0.00 0.00 55.95 57.11 2kh2 s SER 17 Cb -0.16 -0.51 -0.03 0.00 0.21 0.00 0.00 66.02 65.54 2kh2 s SER 17 CO 0.29 0.18 0.65 -0.76 0.41 0.00 0.00 173.24 174.01 2kh2 s LEU 18 N -2.16 4.17 0.10 2.44 1.43 -1.26 -1.19 118.68 122.21 2kh2 s LEU 18 Ca 0.18 0.90 0.09 0.00 -1.03 0.00 0.00 54.13 54.27 2kh2 s LEU 18 Cb -0.10 -2.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 2kh2 s LEU 18 CO 0.10 -0.26 -0.24 0.68 0.23 0.00 0.00 176.35 176.86 2kh2 s VAL 19 N 1.77 2.01 -0.60 -1.59 -7.23 0.45 -1.82 120.40 113.39 2kh2 s VAL 19 Ca 0.30 -1.56 -0.28 0.00 -1.81 0.00 0.00 61.98 58.63 2kh2 s VAL 19 Cb -0.16 -1.77 0.03 0.00 0.56 0.00 0.00 36.38 35.03 2kh2 s VAL 19 CO 0.11 0.11 1.24 -0.04 -0.31 0.00 0.00 175.10 176.21 2kh2 s MET 20 N -1.75 3.44 0.00 4.82 -1.94 -1.26 -1.51 119.30 121.10 2kh2 s MET 20 Ca 0.11 0.21 0.00 0.00 -1.71 0.00 0.00 55.69 54.30 2kh2 s MET 20 Cb -0.10 -4.05 0.00 0.00 2.01 0.00 0.00 34.83 32.69 2kh2 s MET 20 CO 0.04 -1.79 0.01 0.45 -0.01 0.00 0.00 175.02 173.73 2kh2 n SER 21 N 8.74 0.00 -3.39 3.03 2.88 -0.34 -4.98 113.62 119.55 2kh2 n SER 21 Ca 0.08 0.01 -0.12 0.00 -1.33 0.00 0.00 58.87 57.51 2kh2 n SER 21 Cb 0.49 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.01 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 2.61 0.75 0.25 0.46 0.00 -1.17 -4.92 105.19 103.17 2kh2 n GLY 22 Ca 0.00 -2.00 0.08 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.33 1.61 0.13 -2.04 -3.03 132.00 128.35 2kh2 h PRO 23 Ca -0.18 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.69 2kh2 h PRO 23 Cb 0.67 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.46 2kh2 h PRO 23 CO 0.19 0.10 -0.91 0.66 -0.23 0.00 0.00 178.00 177.81 2kh2 n TYR 24 N -4.24 1.10 -3.97 1.56 4.01 -1.26 -5.06 117.16 109.31 2kh2 n TYR 24 Ca -0.03 -1.65 -0.14 0.00 -0.16 0.00 0.00 57.90 55.92 2kh2 n TYR 24 Cb 0.18 -0.24 -0.15 0.00 -0.31 0.00 0.00 39.34 38.82 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 -2.75 0.18 -0.03 -0.72 2.12 -1.15 -4.54 118.70 111.82 2kh2 s GLU 25 Ca 0.37 -0.04 0.06 0.00 0.36 0.00 0.00 54.97 55.72 2kh2 s GLU 25 Cb 0.37 -0.22 -0.01 0.00 0.26 0.00 0.00 34.13 34.53 2kh2 s GLU 25 CO -0.06 0.01 -0.22 -0.51 -0.54 0.00 0.00 175.26 173.95 2kh2 s LEU 26 N 0.17 2.02 0.13 2.70 1.43 -1.26 -1.20 118.68 122.67 2kh2 s LEU 26 Ca -0.01 -0.41 0.07 0.00 -1.03 0.00 0.00 54.13 52.75 2kh2 s LEU 26 Cb -0.03 -1.14 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 2kh2 s LEU 26 CO -0.00 0.24 -0.17 -0.54 0.23 0.00 0.00 176.35 176.10 2kh2 s LYS 27 N -0.35 1.13 -0.18 1.70 1.02 -0.57 -1.75 119.74 120.75 2kh2 s LYS 27 Ca 0.04 -1.27 -0.00 0.00 0.02 0.00 0.00 55.97 54.76 2kh2 s LYS 27 Cb -0.10 -1.19 0.00 0.00 -0.52 0.00 0.00 37.83 36.03 2kh2 s LYS 27 CO 0.01 0.25 -0.14 0.00 -0.92 0.00 0.00 175.35 174.54 2kh2 s ALA 28 N -1.80 2.52 0.13 5.17 0.00 0.16 -0.41 121.76 127.53 2kh2 s ALA 28 Ca 0.10 -1.12 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 2kh2 s ALA 28 Cb -0.07 -1.32 0.02 0.00 0.00 0.00 0.00 23.12 21.75 2kh2 s ALA 28 CO 0.05 -0.21 0.35 -0.48 0.00 0.00 0.00 175.76 175.47 2kh2 s LEU 29 N 1.10 0.67 0.19 0.00 0.05 -0.33 -3.22 118.68 117.13 2kh2 s LEU 29 Ca 0.00 -0.47 -0.31 0.00 0.05 0.00 0.00 54.13 53.40 2kh2 s LEU 29 Cb -0.14 1.61 -0.10 0.00 -2.05 0.00 0.00 46.19 45.51 2kh2 s LEU 29 CO -0.04 -0.85 1.50 -1.00 -0.55 0.00 0.00 176.35 175.41 2kh2 s HIS 30 N -3.84 3.07 -0.05 3.48 3.76 -1.26 0.40 115.29 120.84 2kh2 s HIS 30 Ca 0.06 0.80 -0.01 0.00 -0.15 0.00 0.00 55.06 55.76 2kh2 s HIS 30 Cb 0.02 -3.86 0.03 0.00 1.11 0.00 0.00 32.58 29.88 2kh2 s HIS 30 CO -0.10 -3.05 0.01 -1.17 -0.85 0.00 0.00 174.74 169.59 2kh2 s LEU 31 N 0.62 0.75 0.00 0.89 2.96 -1.26 -4.87 118.68 117.76 2kh2 s LEU 31 Ca 0.66 -0.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.54 2kh2 s LEU 31 Cb -0.42 -0.29 0.00 0.00 0.50 0.00 0.00 46.19 45.97 2kh2 s LEU 31 CO 0.35 -0.16 0.00 0.00 -1.32 0.00 0.00 176.35 175.22 2kh2 n GLN 32 N 4.74 0.00 0.00 1.98 6.02 -1.26 -4.80 117.38 124.05 2kh2 n GLN 32 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 2kh2 n GLN 32 Cb 0.50 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.76 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 0.00 3.64 0.48 1.08 0.00 -1.26 -2.27 105.19 106.86 2kh2 n GLY 33 Ca 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 13.95 2.77 -0.19 1.61 -0.06 -1.26 -4.45 117.38 129.76 2kh2 n GLN 34 Ca 0.00 -1.88 0.11 0.00 -2.00 0.00 0.00 57.00 53.23 2kh2 n GLN 34 Cb 0.00 -1.20 0.21 0.00 -4.06 0.00 0.00 30.24 25.18 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 0.29 3.38 0.30 1.69 9.92 -0.96 -4.41 116.55 126.76 2kh2 n ASP 35 Ca 0.09 -1.96 0.17 0.00 -0.53 0.00 0.00 54.79 52.55 2kh2 n ASP 35 Cb 0.38 -0.25 0.97 0.00 -0.64 0.00 0.00 41.12 41.58 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 4.18 0.00 0.00 -1.24 4.05 -1.76 -1.89 114.93 118.26 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 0.94 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.74 2kh2 h MET 36 CO 0.00 0.01 0.00 0.39 0.23 0.00 0.00 176.91 177.54 2kh2 n GLU 37 N -3.63 0.73 -0.07 0.39 -0.58 -1.26 -2.46 120.64 113.75 2kh2 n GLU 37 Ca -0.03 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.82 2kh2 n GLU 37 Cb 0.10 -1.36 0.39 0.00 -0.57 0.00 0.00 31.44 30.00 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 -0.86 1.76 -2.13 3.49 6.02 -0.71 -4.92 117.38 120.04 2kh2 n GLN 38 Ca 0.12 -1.14 -0.39 0.00 -0.01 0.00 0.00 57.00 55.58 2kh2 n GLN 38 Cb 0.06 -1.42 -0.01 0.00 1.02 0.00 0.00 30.24 29.89 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 -1.81 3.99 0.12 -1.09 -2.07 -1.03 -4.78 119.66 112.98 2kh2 s GLN 39 Ca 0.33 2.06 -0.27 0.00 -1.82 0.00 0.00 55.36 55.66 2kh2 s GLN 39 Cb 0.18 -2.74 -0.07 0.00 -1.09 0.00 0.00 33.01 29.30 2kh2 s GLN 39 CO 0.28 -0.44 0.85 0.08 -1.32 0.00 0.00 175.29 174.74 2kh2 s VAL 40 N -1.30 4.50 -0.16 3.63 1.01 -0.76 -5.05 120.40 122.27 2kh2 s VAL 40 Ca 0.57 1.84 -0.06 0.00 0.00 0.00 0.00 61.98 64.33 2kh2 s VAL 40 Cb -0.36 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.77 2kh2 s VAL 40 CO 0.46 0.40 0.04 -0.69 0.00 0.00 0.00 175.10 175.31 2kh2 s VAL 41 N -0.42 4.60 -0.06 2.92 1.01 -1.26 -4.64 120.40 122.56 2kh2 s VAL 41 Ca 0.41 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.27 2kh2 s VAL 41 Cb -0.23 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 2kh2 s VAL 41 CO 0.27 0.49 0.03 -0.36 0.00 0.00 0.00 175.10 175.53 2kh2 s PHE 42 N 0.13 3.21 -0.22 5.22 0.40 -0.02 -1.13 117.98 125.57 2kh2 s PHE 42 Ca 0.04 0.21 -0.13 0.00 -0.60 0.00 0.00 56.93 56.45 2kh2 s PHE 42 Cb -0.13 -1.77 -0.05 0.00 0.51 0.00 0.00 43.02 41.59 2kh2 s PHE 42 CO 0.01 0.51 0.26 -1.12 0.70 0.00 0.00 175.22 175.58 2kh2 s SER 43 N -1.14 6.27 -0.40 1.36 0.01 0.43 -1.15 113.70 119.08 2kh2 s SER 43 Ca 0.16 0.31 -0.13 0.00 1.31 0.00 0.00 55.95 57.60 2kh2 s SER 43 Cb -0.12 -2.16 0.03 0.00 0.21 0.00 0.00 66.02 63.98 2kh2 s SER 43 CO 0.06 0.02 0.27 -0.04 0.41 0.00 0.00 173.24 173.95 2kh2 s MET 44 N 1.08 2.89 -0.11 12.44 -1.94 0.47 -2.98 119.30 131.15 2kh2 s MET 44 Ca 0.13 -1.09 -0.10 0.00 -1.71 0.00 0.00 55.69 52.91 2kh2 s MET 44 Cb -0.14 -3.88 -0.05 0.00 2.01 0.00 0.00 34.83 32.78 2kh2 s MET 44 CO 0.05 -0.76 0.23 -1.12 -0.01 0.00 0.00 175.02 173.41 2kh2 s SER 45 N 1.71 6.46 -0.27 3.03 0.01 -1.19 -2.46 113.70 121.00 2kh2 s SER 45 Ca 0.04 0.55 -0.27 0.00 1.31 0.00 0.00 55.95 57.57 2kh2 s SER 45 Cb -0.20 -2.13 0.01 0.00 0.21 0.00 0.00 66.02 63.91 2kh2 s SER 45 CO 0.08 0.30 0.96 -0.36 0.41 0.00 0.00 173.24 174.63 2kh2 s PHE 46 N -0.55 3.27 0.42 2.43 0.08 -1.23 -0.78 117.98 121.63 2kh2 s PHE 46 Ca 0.16 1.23 0.07 0.00 0.12 0.00 0.00 56.93 58.52 2kh2 s PHE 46 Cb -0.13 -3.31 -0.03 0.00 -0.57 0.00 0.00 43.02 38.98 2kh2 s PHE 46 CO 0.05 -0.54 0.29 0.14 -0.10 0.00 0.00 175.22 175.06 2kh2 s VAL 47 N 3.19 2.43 -0.51 -0.44 -7.23 -0.85 -4.86 120.40 112.13 2kh2 s VAL 47 Ca 0.41 -1.52 -0.16 0.00 -1.81 0.00 0.00 61.98 58.89 2kh2 s VAL 47 Cb -0.14 -2.94 0.09 0.00 0.56 0.00 0.00 36.38 33.95 2kh2 s VAL 47 CO 0.09 0.00 0.48 -1.10 -0.31 0.00 0.00 175.10 174.26 2kh2 s GLN 48 N -4.03 3.00 0.00 4.82 1.11 -1.25 -4.74 119.66 118.57 2kh2 s GLN 48 Ca 0.44 -1.43 0.00 0.00 0.01 0.00 0.00 55.36 54.38 2kh2 s GLN 48 Cb 0.00 -4.20 0.00 0.00 -1.01 0.00 0.00 33.01 27.80 2kh2 s GLN 48 CO 0.25 -1.19 0.00 0.41 0.01 0.00 0.00 175.29 174.77 2kh2 n GLY 49 N 5.22 2.82 3.55 3.09 0.00 -1.26 -4.99 105.19 113.62 2kh2 n GLY 49 Ca -0.12 0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 3.87 3.14 0.05 1.61 2.56 -1.26 -4.99 118.70 123.68 2kh2 s GLU 50 Ca 0.00 -0.14 0.06 0.00 0.00 0.00 0.00 54.97 54.90 2kh2 s GLU 50 Cb 0.00 -4.20 -0.03 0.00 2.00 0.00 0.00 34.13 31.90 2kh2 s GLU 50 CO 0.00 -2.20 -0.15 -2.00 -0.56 0.00 0.00 175.26 170.36 2kh2 s GLU 51 N 5.86 2.15 0.00 4.30 2.12 -1.26 -3.56 118.70 128.30 2kh2 s GLU 51 Ca 0.39 -0.96 0.00 0.00 0.36 0.00 0.00 54.97 54.76 2kh2 s GLU 51 Cb -0.08 -2.26 0.00 0.00 0.26 0.00 0.00 34.13 32.04 2kh2 s GLU 51 CO 0.16 0.54 0.00 -1.13 -0.54 0.00 0.00 175.26 174.29 2kh2 n SER 52 N 1.35 0.00 0.06 -1.70 3.41 -0.17 -4.96 113.62 111.60 2kh2 n SER 52 Ca -0.15 -0.53 0.12 0.00 -0.26 0.00 0.00 58.87 58.04 2kh2 n SER 52 Cb 0.52 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.71 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 -0.49 0.67 -0.31 4.04 5.15 -1.26 -3.97 115.26 119.09 2kh2 n ASN 53 Ca 0.00 0.17 0.04 0.00 -0.60 0.00 0.00 54.58 54.19 2kh2 n ASN 53 Cb 0.00 -0.01 0.05 0.00 -0.53 0.00 0.00 39.78 39.30 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 -2.05 0.94 -3.53 1.20 5.75 -1.26 -4.98 116.55 112.61 2kh2 n ASP 54 Ca 0.04 -2.40 -0.09 0.00 -0.01 0.00 0.00 54.79 52.33 2kh2 n ASP 54 Cb 0.42 -0.28 -0.09 0.00 -1.03 0.00 0.00 41.12 40.14 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 -1.13 0.32 -0.20 0.11 1.02 -1.25 -0.60 119.74 118.00 2kh2 s LYS 55 Ca 0.12 0.82 -0.02 0.00 0.02 0.00 0.00 55.97 56.92 2kh2 s LYS 55 Cb 0.11 -0.00 0.00 0.00 -0.52 0.00 0.00 37.83 37.42 2kh2 s LYS 55 CO 0.01 -0.41 -0.10 0.42 -0.92 0.00 0.00 175.35 174.35 2kh2 s ILE 56 N 2.58 2.91 -0.40 2.17 -1.09 0.50 -1.00 121.20 126.86 2kh2 s ILE 56 Ca 0.04 -0.65 -0.29 0.00 -2.23 0.00 0.00 60.65 57.52 2kh2 s ILE 56 Cb -0.13 -2.29 0.01 0.00 -1.58 0.00 0.00 42.46 38.47 2kh2 s ILE 56 CO -0.14 0.47 1.27 -2.16 -1.23 0.00 0.00 174.94 173.15 2kh2 s PRO 57 N 1.35 3.74 0.07 2.79 0.04 -1.23 -0.69 135.00 141.08 2kh2 s PRO 57 Ca 0.05 0.90 0.01 0.00 0.04 0.00 0.00 61.00 61.99 2kh2 s PRO 57 Cb -0.14 -3.93 -0.04 0.00 0.04 0.00 0.00 34.50 30.43 2kh2 s PRO 57 CO -0.06 -1.35 -0.05 0.14 0.04 0.00 0.00 177.00 175.72 2kh2 s VAL 58 N 4.73 0.48 0.15 -0.36 -7.23 -0.09 -2.01 120.40 116.07 2kh2 s VAL 58 Ca 0.54 -1.83 0.02 0.00 -1.81 0.00 0.00 61.98 58.91 2kh2 s VAL 58 Cb -0.12 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 2kh2 s VAL 58 CO 0.29 -0.90 0.27 0.00 -0.31 0.00 0.00 175.10 174.46 2kh2 s ALA 59 N -3.60 3.96 -0.28 1.32 0.00 0.04 -0.38 121.76 122.81 2kh2 s ALA 59 Ca 0.08 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.03 2kh2 s ALA 59 Cb 0.05 -1.77 0.08 0.00 0.00 0.00 0.00 23.12 21.49 2kh2 s ALA 59 CO -0.07 0.55 -0.00 -0.51 0.00 0.00 0.00 175.76 175.73 2kh2 s LEU 60 N -3.20 3.30 0.11 0.00 1.43 -1.26 -3.16 118.68 115.91 2kh2 s LEU 60 Ca 0.34 -1.59 0.04 0.00 -1.03 0.00 0.00 54.13 51.90 2kh2 s LEU 60 Cb -0.11 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 2kh2 s LEU 60 CO 0.28 -0.30 -0.11 -0.83 0.23 0.00 0.00 176.35 175.62 2kh2 s GLY 61 N 1.24 0.95 0.36 -3.19 0.00 -1.16 -0.77 107.32 104.75 2kh2 s GLY 61 Ca 0.02 -1.29 -0.26 0.00 0.00 0.00 0.00 44.72 43.19 2kh2 s GLY 61 CO -0.10 -1.36 1.13 1.08 0.00 0.00 0.00 173.10 173.85 2kh2 s LEU 62 N -2.63 4.31 0.23 0.66 1.02 -0.26 -0.43 118.68 121.58 2kh2 s LEU 62 Ca 0.09 2.28 -0.31 0.00 0.02 0.00 0.00 54.13 56.21 2kh2 s LEU 62 Cb -0.02 -3.91 -0.11 0.00 0.02 0.00 0.00 46.19 42.17 2kh2 s LEU 62 CO 0.01 -0.47 1.59 -0.75 0.02 0.00 0.00 176.35 176.75 2kh2 s LYS 63 N -2.05 4.17 -1.33 1.70 2.20 -0.28 -2.51 119.74 121.64 2kh2 s LYS 63 Ca 0.53 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.62 2kh2 s LYS 63 Cb -0.30 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 2kh2 s LYS 63 CO 0.38 -0.62 0.00 -0.85 -0.36 0.00 0.00 175.35 173.90 2kh2 n GLU 64 N 3.14 -1.81 -4.13 4.03 0.28 -1.26 -4.95 120.64 115.95 2kh2 n GLU 64 Ca 0.11 0.75 -0.13 0.00 -0.16 0.00 0.00 57.16 57.73 2kh2 n GLU 64 Cb 0.38 -5.23 -0.11 0.00 1.43 0.00 0.00 31.44 27.91 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2kh2 s LYS 65 N -4.34 0.71 -0.22 3.44 1.02 -1.04 -5.03 119.74 114.27 2kh2 s LYS 65 Ca 0.00 -1.04 0.09 0.00 0.02 0.00 0.00 55.97 55.04 2kh2 s LYS 65 Cb 0.00 -0.34 0.59 0.00 -0.52 0.00 0.00 37.83 37.56 2kh2 s LYS 65 CO 0.00 0.04 1.50 0.27 -0.92 0.00 0.00 175.35 176.24 2kh2 n ASN 66 N 0.77 4.32 -4.58 2.83 6.94 -1.26 -4.48 115.26 119.80 2kh2 n ASN 66 Ca -0.18 -2.83 -0.40 0.00 -0.02 0.00 0.00 54.58 51.16 2kh2 n ASN 66 Cb 0.57 -0.67 -0.09 0.00 -2.36 0.00 0.00 39.78 37.23 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 -2.17 4.18 0.13 -4.53 1.43 -1.26 -2.21 118.68 114.25 2kh2 s LEU 67 Ca 0.41 0.09 0.10 0.00 -1.03 0.00 0.00 54.13 53.70 2kh2 s LEU 67 Cb 0.32 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 2kh2 s LEU 67 CO 0.11 -0.25 -0.23 -0.31 0.23 0.00 0.00 176.35 175.90 2kh2 s TYR 68 N 2.06 2.03 -0.18 0.29 1.51 -0.37 -1.10 117.35 121.59 2kh2 s TYR 68 Ca 0.14 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.50 2kh2 s TYR 68 Cb -0.16 -1.09 -0.01 0.00 -0.11 0.00 0.00 41.96 40.60 2kh2 s TYR 68 CO 0.11 0.30 1.22 -0.51 -1.11 0.00 0.00 175.55 175.55 2kh2 s LEU 69 N -2.11 4.16 -0.03 -1.29 1.43 0.05 -0.50 118.68 120.38 2kh2 s LEU 69 Ca 0.11 1.63 0.07 0.00 -1.03 0.00 0.00 54.13 54.91 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 0.06 -0.74 -0.24 -0.55 0.23 0.00 0.00 176.35 175.10 2kh2 s SER 70 N 1.82 3.22 -0.26 2.29 0.15 0.60 -4.47 113.70 117.04 2kh2 s SER 70 Ca 0.52 -0.43 -0.06 0.00 0.70 0.00 0.00 55.95 56.69 2kh2 s SER 70 Cb -0.20 -0.52 -0.00 0.00 -1.71 0.00 0.00 66.02 63.58 2kh2 s SER 70 CO 0.13 0.31 0.03 0.00 1.20 0.00 0.00 173.24 174.91 2kh2 s VAL 72 N 1.50 0.00 -0.26 0.00 -7.23 -0.66 -4.71 120.40 109.05 2kh2 s VAL 72 Ca 0.04 -1.83 -0.21 0.00 -1.81 0.00 0.00 61.98 58.16 2kh2 s VAL 72 Cb -0.16 -2.40 -0.01 0.00 0.56 0.00 0.00 36.38 34.36 2kh2 s VAL 72 CO 0.00 -0.01 0.69 -0.76 -0.31 0.00 0.00 175.10 174.71 2kh2 s LEU 73 N -3.12 4.07 -0.22 1.32 1.43 -1.26 0.01 118.68 120.91 2kh2 s LEU 73 Ca 0.34 0.77 0.01 0.00 -1.03 0.00 0.00 54.13 54.22 2kh2 s LEU 73 Cb 0.05 -2.94 0.05 0.00 0.03 0.00 0.00 46.19 43.38 2kh2 s LEU 73 CO 0.11 -0.42 -0.08 -0.54 0.23 0.00 0.00 176.35 175.65 2kh2 s LYS 74 N 2.62 1.81 -0.99 1.70 1.02 0.76 -4.77 119.74 121.89 2kh2 s LYS 74 Ca 0.29 -0.93 -0.01 0.00 0.02 0.00 0.00 55.97 55.34 2kh2 s LYS 74 Cb -0.15 -2.51 -0.01 0.00 -0.52 0.00 0.00 37.83 34.64 2kh2 s LYS 74 CO 0.09 -0.52 0.83 -3.47 -0.92 0.00 0.00 175.35 171.35 2kh2 n ASP 75 N 4.67 -2.63 -2.08 2.83 4.64 -1.26 -2.70 116.55 120.03 2kh2 n ASP 75 Ca -0.13 -0.53 -0.21 0.00 -1.38 0.00 0.00 54.79 52.54 2kh2 n ASP 75 Cb 0.45 -4.40 -0.04 0.00 -1.04 0.00 0.00 41.12 36.09 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 -2.81 -5.68 -3.72 1.67 10.43 -1.26 -4.98 116.55 110.20 2kh2 n ASP 76 Ca -0.22 0.20 -0.12 0.00 2.57 0.00 0.00 54.79 57.22 2kh2 n ASP 76 Cb 0.64 -4.84 -0.13 0.00 1.84 0.00 0.00 41.12 38.63 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 2kh2 s LYS 77 N -4.53 0.21 0.01 -1.24 2.47 -1.10 -5.12 119.74 110.44 2kh2 s LYS 77 Ca 0.00 0.58 -0.30 0.00 -1.56 0.00 0.00 55.97 54.69 2kh2 s LYS 77 Cb 0.00 -0.10 -0.08 0.00 -1.46 0.00 0.00 37.83 36.19 2kh2 s LYS 77 CO 0.00 -0.18 1.81 -2.14 0.16 0.00 0.00 175.35 175.00 2kh2 s PRO 78 N 1.42 4.16 0.10 4.03 0.02 -1.26 -0.17 135.00 143.30 2kh2 s PRO 78 Ca -0.08 2.42 0.02 0.00 0.02 0.00 0.00 61.00 63.38 2kh2 s PRO 78 Cb -0.10 -4.01 -0.04 0.00 0.02 0.00 0.00 34.50 30.37 2kh2 s PRO 78 CO -0.09 -0.88 -0.08 0.99 -0.33 0.00 0.00 177.00 176.61 2kh2 s THR 79 N 4.02 0.78 0.08 0.99 2.01 0.10 -4.76 115.64 118.86 2kh2 s THR 79 Ca 0.81 -1.84 -0.09 0.00 0.31 0.00 0.00 61.69 60.88 2kh2 s THR 79 Cb -0.39 -1.57 -0.06 0.00 0.01 0.00 0.00 72.50 70.50 2kh2 s THR 79 CO 0.36 -0.77 0.39 -0.22 -0.69 0.00 0.00 174.62 173.69 2kh2 s LEU 80 N -2.85 4.34 0.16 4.42 2.96 -1.26 -1.65 118.68 124.79 2kh2 s LEU 80 Ca 0.10 0.76 -0.10 0.00 -0.22 0.00 0.00 54.13 54.66 2kh2 s LEU 80 Cb 0.02 -3.01 -0.00 0.00 0.50 0.00 0.00 46.19 43.70 2kh2 s LEU 80 CO -0.03 0.16 0.31 0.00 -1.32 0.00 0.00 176.35 175.47 2kh2 s GLN 81 N -2.00 1.15 -0.39 1.98 -2.07 0.57 -4.87 119.66 114.02 2kh2 s GLN 81 Ca 0.34 -1.09 -0.15 0.00 -1.82 0.00 0.00 55.36 52.63 2kh2 s GLN 81 Cb -0.14 0.39 0.01 0.00 -1.09 0.00 0.00 33.01 32.19 2kh2 s GLN 81 CO 0.19 -0.43 0.34 -0.51 -1.32 0.00 0.00 175.29 173.56 2kh2 s LEU 82 N -2.94 4.86 -0.19 2.60 2.01 -1.26 -0.29 118.68 123.47 2kh2 s LEU 82 Ca 0.14 -0.67 -0.07 0.00 0.01 0.00 0.00 54.13 53.54 2kh2 s LEU 82 Cb 0.03 -2.25 -0.04 0.00 0.01 0.00 0.00 46.19 43.94 2kh2 s LEU 82 CO -0.02 -0.45 0.05 -0.70 1.01 0.00 0.00 176.35 176.24 2kh2 s GLU 83 N 1.88 3.89 -0.55 1.70 2.12 0.34 -4.90 118.70 123.19 2kh2 s GLU 83 Ca 0.08 -0.39 -0.21 0.00 0.36 0.00 0.00 54.97 54.82 2kh2 s GLU 83 Cb -0.18 -3.19 0.06 0.00 0.26 0.00 0.00 34.13 31.08 2kh2 s GLU 83 CO 0.11 0.20 0.75 -1.12 -0.54 0.00 0.00 175.26 174.67 2kh2 s SER 84 N 0.55 6.24 0.34 -1.70 0.01 -1.26 -1.24 113.70 116.64 2kh2 s SER 84 Ca 0.02 -0.85 0.07 0.00 1.31 0.00 0.00 55.95 56.51 2kh2 s SER 84 Cb -0.13 -2.34 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 2kh2 s SER 84 CO 0.01 -1.07 0.39 0.68 0.41 0.00 0.00 173.24 173.66 2kh2 s VAL 85 N 3.14 3.73 -0.28 3.43 -7.23 -0.94 -5.02 120.40 117.23 2kh2 s VAL 85 Ca 0.19 -1.19 -0.36 0.00 -1.81 0.00 0.00 61.98 58.81 2kh2 s VAL 85 Cb -0.18 -3.28 -0.13 0.00 0.56 0.00 0.00 36.38 33.36 2kh2 s VAL 85 CO 0.13 -0.15 2.00 -0.67 -0.31 0.00 0.00 175.10 176.10 2kh2 n ASP 86 N -1.52 2.48 0.28 4.85 4.64 -1.26 -4.84 116.55 121.18 2kh2 n ASP 86 Ca -0.01 0.71 0.14 0.00 -1.38 0.00 0.00 54.79 54.26 2kh2 n ASP 86 Cb 0.59 -1.25 0.79 0.00 -1.04 0.00 0.00 41.12 40.21 2kh2 n ASP 86 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2kh2 h PRO 87 N 10.31 0.00 0.00 -0.67 0.13 -1.91 -1.54 132.00 138.31 2kh2 h PRO 87 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2kh2 h PRO 87 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2kh2 h PRO 87 CO 0.99 0.08 -1.01 0.36 -0.23 0.00 0.00 178.00 178.19 2kh2 n LYS 88 N -3.62 0.25 -0.10 0.86 2.85 -1.26 -4.00 118.16 113.13 2kh2 n LYS 88 Ca -0.02 -0.01 0.08 0.00 -1.05 0.00 0.00 58.31 57.31 2kh2 n LYS 88 Cb 0.20 -1.58 0.13 0.00 -0.65 0.00 0.00 35.03 33.13 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 -1.89 2.72 -4.03 -5.58 3.02 -0.88 -4.96 115.26 103.65 2kh2 n ASN 89 Ca 0.02 -1.80 -0.15 0.00 -0.03 0.00 0.00 54.58 52.62 2kh2 n ASN 89 Cb 0.42 -0.13 -0.13 0.00 -0.61 0.00 0.00 39.78 39.33 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 -1.18 0.68 0.90 3.10 1.51 -0.63 -4.45 117.35 117.27 2kh2 s TYR 90 Ca 0.24 -0.30 -0.12 0.00 -1.01 0.00 0.00 57.07 55.89 2kh2 s TYR 90 Cb 0.15 -0.42 0.20 0.00 -0.11 0.00 0.00 41.96 41.78 2kh2 s TYR 90 CO 0.21 -0.03 1.22 -0.35 -1.11 0.00 0.00 175.55 175.49 2kh2 n PRO 91 N 2.19 -0.94 -4.05 -1.71 -0.04 -1.26 -4.78 135.00 124.41 2kh2 n PRO 91 Ca -0.18 -2.24 -0.10 0.00 -0.04 0.00 0.00 63.50 60.95 2kh2 n PRO 91 Cb 0.56 -1.15 -0.08 0.00 -0.04 0.00 0.00 33.50 32.79 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 -5.65 1.15 0.10 0.54 -2.85 -1.26 -5.07 119.74 106.70 2kh2 s LYS 92 Ca 0.72 -1.32 -0.22 0.00 -1.00 0.00 0.00 55.97 54.14 2kh2 s LYS 92 Cb -0.02 0.34 -0.14 0.00 -2.06 0.00 0.00 37.83 35.95 2kh2 s LYS 92 CO 0.50 -0.40 1.74 -0.22 0.10 0.00 0.00 175.35 177.07 2kh2 h LYS 93 N 2.60 0.05 -4.17 1.78 1.63 -1.96 -3.37 116.57 113.14 2kh2 h LYS 93 Ca -0.33 -0.00 -0.70 0.00 -0.85 0.00 0.00 60.65 58.78 2kh2 h LYS 93 Cb 1.23 -0.01 -0.35 0.00 -0.60 0.00 0.00 32.23 32.50 2kh2 h LYS 93 CO 0.50 0.04 -0.48 0.21 -3.45 0.00 0.00 179.45 176.27 2kh2 s LYS 94 N -6.17 2.21 0.53 1.90 2.47 -1.26 -3.83 119.74 115.58 2kh2 s LYS 94 Ca -0.13 -2.06 -0.03 0.00 -1.56 0.00 0.00 55.97 52.19 2kh2 s LYS 94 Cb 0.06 -3.65 0.00 0.00 -1.46 0.00 0.00 37.83 32.79 2kh2 s LYS 94 CO 0.67 -1.11 0.80 -1.64 0.16 0.00 0.00 175.35 174.22 2kh2 s MET 95 N 0.74 2.97 0.53 4.03 -1.94 -1.26 -5.04 119.30 119.32 2kh2 s MET 95 Ca 0.11 -0.24 -0.22 0.00 -1.71 0.00 0.00 55.69 53.63 2kh2 s MET 95 Cb -0.22 -2.40 -0.05 0.00 2.01 0.00 0.00 34.83 34.16 2kh2 s MET 95 CO -0.04 -0.51 1.35 -1.21 -0.01 0.00 0.00 175.02 174.60 2kh2 s GLU 96 N -4.79 3.26 0.60 2.03 8.01 -1.26 -4.86 118.70 121.69 2kh2 s GLU 96 Ca 0.52 2.22 0.39 0.00 0.01 0.00 0.00 54.97 58.11 2kh2 s GLU 96 Cb -0.10 -2.32 2.13 0.00 -4.31 0.00 0.00 34.13 29.52 2kh2 s GLU 96 CO 0.42 -1.09 2.20 0.87 0.01 0.00 0.00 175.26 177.67 2kh2 h LYS 97 N 1.62 0.00 0.00 1.61 1.57 -1.96 0.59 116.57 120.00 2kh2 h LYS 97 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2kh2 h LYS 97 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2kh2 h LYS 97 CO 0.58 0.00 0.00 2.89 -0.57 0.00 0.00 179.45 182.35 2kh2 n ARG 98 N -2.90 0.06 0.00 3.15 1.85 -1.26 -2.83 116.66 114.73 2kh2 n ARG 98 Ca -0.03 0.09 0.05 0.00 -1.00 0.00 0.00 57.85 56.97 2kh2 n ARG 98 Cb 0.09 -1.58 0.04 0.00 -1.05 0.00 0.00 32.46 29.96 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 -1.69 0.00 -3.32 2.89 3.72 0.18 -0.96 117.46 118.28 2kh2 n PHE 99 Ca 0.06 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.07 2kh2 n PHE 99 Cb 0.33 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.79 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 -0.82 5.13 0.03 -4.37 1.01 -1.10 -3.99 120.40 116.28 2kh2 s VAL 100 Ca 0.11 0.74 0.05 0.00 0.00 0.00 0.00 61.98 62.89 2kh2 s VAL 100 Cb 0.08 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 2kh2 s VAL 100 CO 0.12 0.15 -0.12 -0.36 0.00 0.00 0.00 175.10 174.89 2kh2 s PHE 101 N 2.00 2.72 -0.51 5.22 0.40 0.49 -1.80 117.98 126.49 2kh2 s PHE 101 Ca 0.19 -0.15 -0.15 0.00 -0.60 0.00 0.00 56.93 56.22 2kh2 s PHE 101 Cb -0.15 -1.53 0.12 0.00 0.51 0.00 0.00 43.02 41.96 2kh2 s PHE 101 CO 0.09 0.31 0.45 1.21 0.70 0.00 0.00 175.22 177.99 2kh2 s ASN 102 N -1.46 6.09 -0.57 1.36 3.04 0.28 -0.91 114.94 122.76 2kh2 s ASN 102 Ca 0.16 -1.72 -0.28 0.00 0.04 0.00 0.00 52.86 51.06 2kh2 s ASN 102 Cb -0.11 -2.17 0.02 0.00 -1.54 0.00 0.00 41.25 37.46 2kh2 s ASN 102 CO 0.07 -0.79 1.29 -0.75 -3.04 0.00 0.00 177.10 173.88 2kh2 s LYS 103 N 1.56 3.43 0.06 0.43 2.20 0.13 -1.28 119.74 126.28 2kh2 s LYS 103 Ca 0.04 0.36 -0.17 0.00 -0.36 0.00 0.00 55.97 55.84 2kh2 s LYS 103 Cb -0.28 -4.06 -0.06 0.00 -1.51 0.00 0.00 37.83 31.91 2kh2 s LYS 103 CO 0.03 -1.78 0.52 0.42 -0.36 0.00 0.00 175.35 174.18 2kh2 s ILE 104 N 5.42 4.84 -0.70 5.43 1.01 0.32 -0.37 121.20 137.15 2kh2 s ILE 104 Ca 0.48 1.05 0.05 0.00 0.00 0.00 0.00 60.65 62.22 2kh2 s ILE 104 Cb -0.09 -3.82 0.21 0.00 0.01 0.00 0.00 42.46 38.77 2kh2 s ILE 104 CO 0.26 0.52 0.63 -0.62 0.00 0.00 0.00 174.94 175.73 2kh2 n GLU 105 N 1.62 2.22 0.00 2.79 4.71 0.23 -1.02 120.64 131.18 2kh2 n GLU 105 Ca -0.11 -4.57 0.00 0.00 -0.01 0.00 0.00 57.16 52.47 2kh2 n GLU 105 Cb 0.51 -2.29 0.00 0.00 -1.01 0.00 0.00 31.44 28.65 2kh2 n GLU 105 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 2kh2 n ILE 106 N 1.52 0.00 0.00 -3.67 -5.35 -1.23 -4.88 119.36 105.75 2kh2 n ILE 106 Ca 0.24 1.40 0.00 0.00 -0.27 0.00 0.00 62.75 64.12 2kh2 n ILE 106 Cb 0.37 -2.40 0.00 0.00 -1.74 0.00 0.00 39.64 35.88 2kh2 n ILE 106 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2kh2 n ASN 107 N -1.82 0.00 -0.22 7.28 0.23 -1.26 -4.97 115.26 114.50 2kh2 n ASN 107 Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 54.08 2kh2 n ASN 107 Cb 0.00 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 37.72 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 1.31 -4.60 0.53 4.05 -1.26 -4.98 115.26 110.31 2kh2 n ASN 108 Ca 0.00 -1.16 -0.29 0.00 0.45 0.00 0.00 54.58 53.58 2kh2 n ASN 108 Cb 0.00 0.20 -0.09 0.00 1.23 0.00 0.00 39.78 41.12 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 -0.77 2.21 0.08 1.20 -0.14 -1.26 -4.81 119.74 116.24 2kh2 s LYS 109 Ca 0.07 -1.04 0.08 0.00 -1.36 0.00 0.00 55.97 53.71 2kh2 s LYS 109 Cb 0.05 -2.32 -0.04 0.00 -1.68 0.00 0.00 37.83 33.85 2kh2 s LYS 109 CO 0.12 0.49 -0.16 -0.48 -0.76 0.00 0.00 175.35 174.56 2kh2 s LEU 110 N -2.40 2.76 0.19 3.17 2.34 0.21 -3.49 118.68 121.45 2kh2 s LEU 110 Ca 0.23 -0.45 0.09 0.00 0.06 0.00 0.00 54.13 54.06 2kh2 s LEU 110 Cb -0.11 -1.61 -0.04 0.00 -0.56 0.00 0.00 46.19 43.88 2kh2 s LEU 110 CO 0.15 0.21 -0.11 -1.61 -1.06 0.00 0.00 176.35 173.94 2kh2 s GLU 111 N -1.85 2.02 -0.39 1.48 2.02 -0.19 -0.47 118.70 121.31 2kh2 s GLU 111 Ca 0.17 -1.31 0.04 0.00 0.02 0.00 0.00 54.97 53.89 2kh2 s GLU 111 Cb -0.11 -2.12 0.11 0.00 0.10 0.00 0.00 34.13 32.11 2kh2 s GLU 111 CO 0.09 0.43 0.11 -0.06 0.02 0.00 0.00 175.26 175.85 2kh2 s PHE 112 N -1.75 3.61 -0.03 1.61 0.08 -1.26 -0.52 117.98 119.71 2kh2 s PHE 112 Ca 0.25 -3.03 -0.17 0.00 0.12 0.00 0.00 56.93 54.10 2kh2 s PHE 112 Cb -0.08 -2.91 -0.05 0.00 -0.57 0.00 0.00 43.02 39.40 2kh2 s PHE 112 CO 0.15 -0.89 0.47 -2.00 -0.10 0.00 0.00 175.22 172.84 2kh2 s GLU 113 N 0.58 4.14 0.06 0.44 2.12 -0.40 -2.46 118.70 123.19 2kh2 s GLU 113 Ca 0.13 0.49 -0.30 0.00 0.36 0.00 0.00 54.97 55.64 2kh2 s GLU 113 Cb -0.21 -3.31 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 2kh2 s GLU 113 CO -0.06 0.47 1.11 0.45 -0.54 0.00 0.00 175.26 176.69 2kh2 s SER 114 N -0.40 7.21 0.21 -1.70 0.15 -0.02 0.99 113.70 120.14 2kh2 s SER 114 Ca 0.26 1.91 -0.02 0.00 0.70 0.00 0.00 55.95 58.80 2kh2 s SER 114 Cb -0.17 -2.58 0.17 0.00 -1.71 0.00 0.00 66.02 61.73 2kh2 s SER 114 CO 0.13 -0.36 1.55 0.00 1.20 0.00 0.00 173.24 175.76 2kh2 h ALA 115 N 6.52 0.78 -0.63 5.45 0.00 -1.55 -2.99 119.26 126.83 2kh2 h ALA 115 Ca -0.42 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 53.93 2kh2 h ALA 115 Cb 1.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2kh2 h ALA 115 CO 0.78 0.67 0.06 0.37 0.00 0.00 0.00 179.25 181.12 2kh2 h GLN 116 N 0.44 1.07 -3.55 0.00 5.75 -1.75 -3.39 115.11 113.67 2kh2 h GLN 116 Ca 0.02 -0.31 -0.61 0.00 -0.15 0.00 0.00 58.65 57.61 2kh2 h GLN 116 Cb 1.00 -0.11 -0.40 0.00 1.07 0.00 0.00 27.48 29.03 2kh2 h GLN 116 CO 0.09 1.01 -0.74 -0.06 -2.65 0.00 0.00 178.83 176.48 2kh2 s PHE 117 N -5.11 2.15 0.50 3.99 0.08 -1.14 -5.08 117.98 113.37 2kh2 s PHE 117 Ca -0.12 -2.19 -0.23 0.00 0.12 0.00 0.00 56.93 54.51 2kh2 s PHE 117 Cb 0.14 -1.99 -0.06 0.00 -0.57 0.00 0.00 43.02 40.54 2kh2 s PHE 117 CO 0.85 -0.86 1.36 -2.14 -0.10 0.00 0.00 175.22 174.33 2kh2 s PRO 118 N 1.07 3.43 0.00 0.24 0.02 -1.17 -2.51 135.00 136.07 2kh2 s PRO 118 Ca 0.13 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.39 2kh2 s PRO 118 Cb -0.20 -2.43 0.00 0.00 0.02 0.00 0.00 34.50 31.89 2kh2 s PRO 118 CO -0.14 -0.97 0.00 0.09 -0.33 0.00 0.00 177.00 175.66 2kh2 n ASN 119 N -0.63 -1.61 -4.36 2.53 5.03 -1.26 -4.99 115.26 109.96 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 0.44 -0.71 -0.13 0.00 -1.02 0.00 0.00 39.78 38.36 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 -2.72 3.14 0.21 3.10 0.52 -1.04 -4.48 118.94 117.66 2kh2 s TRP 120 Ca 0.00 -0.91 0.10 0.00 0.02 0.00 0.00 56.10 55.31 2kh2 s TRP 120 Cb 0.00 -2.26 -0.04 0.00 -1.15 0.00 0.00 33.47 30.02 2kh2 s TRP 120 CO 0.00 -0.55 -0.16 0.71 0.02 0.00 0.00 176.95 176.97 2kh2 s TYR 121 N 1.51 2.47 -0.17 -1.98 1.51 0.33 -0.84 117.35 120.19 2kh2 s TYR 121 Ca 0.03 -0.29 -0.29 0.00 -1.01 0.00 0.00 57.07 55.51 2kh2 s TYR 121 Cb -0.17 -1.18 -0.04 0.00 -0.11 0.00 0.00 41.96 40.46 2kh2 s TYR 121 CO 0.03 0.55 1.75 0.42 -1.11 0.00 0.00 175.55 177.19 2kh2 s ILE 122 N -1.86 3.49 0.19 2.71 1.01 -1.03 -0.77 121.20 124.95 2kh2 s ILE 122 Ca 0.25 0.56 0.09 0.00 0.00 0.00 0.00 60.65 61.54 2kh2 s ILE 122 Cb -0.08 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 2kh2 s ILE 122 CO 0.14 -0.19 -0.08 -0.44 0.00 0.00 0.00 174.94 174.36 2kh2 s SER 123 N 4.75 4.29 -0.10 3.58 0.01 0.18 -4.51 113.70 121.90 2kh2 s SER 123 Ca 0.78 -0.58 -0.05 0.00 1.31 0.00 0.00 55.95 57.41 2kh2 s SER 123 Cb -0.29 -0.74 0.04 0.00 0.21 0.00 0.00 66.02 65.24 2kh2 s SER 123 CO 0.32 0.09 0.22 0.42 0.41 0.00 0.00 173.24 174.70 2kh2 s THR 124 N -1.77 -0.04 0.87 1.44 -4.23 -0.71 -2.74 115.64 108.45 2kh2 s THR 124 Ca 0.26 0.15 -0.11 0.00 -1.18 0.00 0.00 61.69 60.81 2kh2 s THR 124 Cb -0.09 -0.35 0.11 0.00 1.34 0.00 0.00 72.50 73.52 2kh2 s THR 124 CO 0.16 0.06 1.10 -0.44 -0.54 0.00 0.00 174.62 174.96 2kh2 s SER 125 N 1.24 3.64 0.27 3.99 0.01 -1.26 -0.43 113.70 121.16 2kh2 s SER 125 Ca -0.09 1.75 0.01 0.00 1.31 0.00 0.00 55.95 58.93 2kh2 s SER 125 Cb -0.11 -2.39 0.37 0.00 0.21 0.00 0.00 66.02 64.10 2kh2 s SER 125 CO -0.08 -2.57 1.72 1.56 0.41 0.00 0.00 173.24 174.28 2kh2 h GLN 126 N -1.50 0.58 -6.86 12.44 1.08 -1.97 -3.45 115.11 115.43 2kh2 h GLN 126 Ca -0.47 -0.21 -0.56 0.00 -1.45 0.00 0.00 58.65 55.97 2kh2 h GLN 126 Cb 1.26 -0.04 0.13 0.00 -0.05 0.00 0.00 27.48 28.78 2kh2 h GLN 126 CO 0.51 0.74 0.47 0.00 -0.95 0.00 0.00 178.83 179.61 2kh2 n ALA 127 N -2.49 1.24 -1.82 3.87 0.00 -1.26 -4.98 120.51 115.07 2kh2 n ALA 127 Ca 0.00 0.22 -0.33 0.00 0.00 0.00 0.00 53.44 53.34 2kh2 n ALA 127 Cb 0.38 -2.27 -0.04 0.00 0.00 0.00 0.00 19.45 17.53 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 -2.34 3.99 -1.05 0.00 2.56 -1.26 -3.89 118.70 116.71 2kh2 s GLU 128 Ca 0.64 1.06 0.00 0.00 0.00 0.00 0.00 54.97 56.66 2kh2 s GLU 128 Cb -0.49 -2.14 0.00 0.00 2.00 0.00 0.00 34.13 33.50 2kh2 s GLU 128 CO 0.56 -0.24 0.00 -1.71 -0.56 0.00 0.00 175.26 173.31 2kh2 n ASN 129 N -1.25 -3.93 -4.86 -1.70 5.15 -1.20 -5.01 115.26 102.47 2kh2 n ASN 129 Ca 0.07 0.10 -0.36 0.00 -0.60 0.00 0.00 54.58 53.80 2kh2 n ASN 129 Cb 0.54 -2.86 -0.06 0.00 -0.53 0.00 0.00 39.78 36.87 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 -3.92 3.80 0.96 1.20 -1.94 -1.22 -4.88 119.30 113.30 2kh2 s MET 130 Ca 0.00 0.24 -0.12 0.00 -1.71 0.00 0.00 55.69 54.10 2kh2 s MET 130 Cb 0.00 -3.08 0.17 0.00 2.01 0.00 0.00 34.83 33.93 2kh2 s MET 130 CO 0.00 0.61 1.12 -2.14 -0.01 0.00 0.00 175.02 174.60 2kh2 s PRO 131 N -1.60 0.75 -0.14 2.03 0.02 -1.26 -0.67 135.00 134.14 2kh2 s PRO 131 Ca 0.29 0.37 -0.12 0.00 0.02 0.00 0.00 61.00 61.57 2kh2 s PRO 131 Cb -0.15 -1.79 -0.05 0.00 0.02 0.00 0.00 34.50 32.54 2kh2 s PRO 131 CO 0.16 -2.48 0.24 0.08 -0.33 0.00 0.00 177.00 174.67 2kh2 s VAL 132 N -3.14 5.33 0.28 3.83 1.01 -0.72 -4.70 120.40 122.30 2kh2 s VAL 132 Ca 0.65 0.44 -0.00 0.00 0.00 0.00 0.00 61.98 63.07 2kh2 s VAL 132 Cb -0.16 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 2kh2 s VAL 132 CO 0.55 0.48 0.29 0.72 0.00 0.00 0.00 175.10 177.14 2kh2 s PHE 133 N -0.09 1.24 -0.19 5.22 -0.71 -1.11 -4.90 117.98 117.44 2kh2 s PHE 133 Ca 0.15 -1.38 -0.07 0.00 -1.04 0.00 0.00 56.93 54.60 2kh2 s PHE 133 Cb -0.13 -0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 41.23 2kh2 s PHE 133 CO 0.04 -0.86 0.04 -1.17 -1.34 0.00 0.00 175.22 171.93 2kh2 s LEU 134 N -3.23 3.66 0.24 -1.99 2.96 -1.26 -0.65 118.68 118.40 2kh2 s LEU 134 Ca 0.36 0.00 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 2kh2 s LEU 134 Cb 0.03 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 2kh2 s LEU 134 CO 0.18 0.15 0.15 -0.83 -1.32 0.00 0.00 176.35 174.68 2kh2 s GLY 135 N 0.53 1.66 -0.04 7.98 0.00 0.05 -4.82 107.32 112.68 2kh2 s GLY 135 Ca 0.02 -1.78 0.06 0.00 0.00 0.00 0.00 44.72 43.02 2kh2 s GLY 135 CO 0.01 -1.45 1.02 0.61 0.00 0.00 0.00 173.10 173.30 2kh2 n GLY 136 N -0.37 3.23 2.38 0.20 0.00 -1.26 -0.51 105.19 108.85 2kh2 n GLY 136 Ca 0.03 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.77 4.02 -1.67 2.61 -2.24 -1.26 -4.95 114.28 110.01 2kh2 n THR 137 Ca 0.05 -3.10 -0.42 0.00 -2.27 0.00 0.00 64.05 58.31 2kh2 n THR 137 Cb 0.41 -1.96 -0.03 0.00 -2.10 0.00 0.00 70.33 66.65 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 -0.53 3.99 -0.17 -0.78 2.20 -1.26 -1.24 119.74 121.94 2kh2 s LYS 138 Ca 0.60 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.72 2kh2 s LYS 138 Cb 0.28 -4.19 0.00 0.00 -1.51 0.00 0.00 37.83 32.41 2kh2 s LYS 138 CO -0.12 -1.13 0.00 0.41 -0.36 0.00 0.00 175.35 174.15 2kh2 n GLY 139 N 4.72 0.48 0.00 5.54 0.00 -1.26 -5.02 105.19 109.65 2kh2 n GLY 139 Ca 0.21 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2kh2 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kh2 n GLY 140 N -2.54 0.58 0.13 -0.02 0.00 -0.37 -5.02 105.19 97.95 2kh2 n GLY 140 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 0.28 -6.74 1.61 7.50 -1.96 -3.46 115.11 112.34 2kh2 h GLN 141 Ca 0.00 -0.48 -0.50 0.00 0.50 0.00 0.00 58.65 58.17 2kh2 h GLN 141 Cb 0.00 0.18 -0.00 0.00 0.05 0.00 0.00 27.48 27.71 2kh2 h GLN 141 CO 0.00 1.23 0.43 -0.51 -1.50 0.00 0.00 178.83 178.48 2kh2 s ASP 142 N -7.09 7.41 -0.04 1.46 1.01 -1.26 -4.52 116.67 113.63 2kh2 s ASP 142 Ca -0.19 2.10 -0.30 0.00 0.71 0.00 0.00 52.55 54.87 2kh2 s ASP 142 Cb 0.05 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 2kh2 s ASP 142 CO 0.79 -0.06 1.42 -0.63 0.21 0.00 0.00 175.17 176.90 2kh2 s ILE 143 N -0.89 3.81 -0.85 0.77 1.01 0.43 -4.58 121.20 120.89 2kh2 s ILE 143 Ca 0.45 1.11 0.08 0.00 0.00 0.00 0.00 60.65 62.29 2kh2 s ILE 143 Cb -0.29 -3.72 0.15 0.00 0.01 0.00 0.00 42.46 38.61 2kh2 s ILE 143 CO 0.36 -0.04 0.98 0.35 0.00 0.00 0.00 174.94 176.59 2kh2 n THR 144 N 4.96 0.51 -4.61 2.92 -2.24 -1.26 -1.74 114.28 112.82 2kh2 n THR 144 Ca 0.14 -0.76 -0.30 0.00 -2.27 0.00 0.00 64.05 60.87 2kh2 n THR 144 Cb 0.44 0.83 -0.13 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.84 3.55 0.22 3.42 -4.77 -1.26 -4.50 116.67 112.48 2kh2 s ASP 145 Ca 0.13 -0.56 0.01 0.00 -3.30 0.00 0.00 52.55 48.84 2kh2 s ASP 145 Cb 0.08 -0.43 -0.05 0.00 -1.09 0.00 0.00 42.92 41.43 2kh2 s ASP 145 CO 0.11 0.23 0.06 -0.36 0.70 0.00 0.00 175.17 175.91 2kh2 s PHE 146 N -0.96 1.40 0.10 2.11 0.08 0.38 -3.89 117.98 117.20 2kh2 s PHE 146 Ca 0.14 -1.12 0.07 0.00 0.12 0.00 0.00 56.93 56.14 2kh2 s PHE 146 Cb -0.10 -0.81 -0.04 0.00 -0.57 0.00 0.00 43.02 41.50 2kh2 s PHE 146 CO 0.05 -0.29 -0.09 0.95 -0.10 0.00 0.00 175.22 175.74 2kh2 s THR 147 N -3.72 3.45 -0.38 0.64 -4.23 0.12 -0.62 115.64 110.89 2kh2 s THR 147 Ca 0.32 -1.22 -0.14 0.00 -1.18 0.00 0.00 61.69 59.48 2kh2 s THR 147 Cb 0.07 -2.61 0.01 0.00 1.34 0.00 0.00 72.50 71.31 2kh2 s THR 147 CO 0.10 0.12 0.26 -0.32 -0.54 0.00 0.00 174.62 174.24 2kh2 s MET 148 N -2.19 3.07 -0.43 3.99 1.75 -1.26 -3.38 119.30 120.84 2kh2 s MET 148 Ca 0.22 -0.94 -0.00 0.00 -1.25 0.00 0.00 55.69 53.71 2kh2 s MET 148 Cb -0.11 -3.88 0.12 0.00 2.84 0.00 0.00 34.83 33.80 2kh2 s MET 148 CO 0.14 -0.66 0.20 -0.65 -0.65 0.00 0.00 175.02 173.40 2kh2 s GLN 149 N 1.66 1.94 0.08 4.11 1.11 -0.73 -4.99 119.66 122.83 2kh2 s GLN 149 Ca 0.05 -2.00 -0.31 0.00 0.01 0.00 0.00 55.36 53.10 2kh2 s GLN 149 Cb -0.19 -3.48 -0.06 0.00 -1.01 0.00 0.00 33.01 28.27 2kh2 s GLN 149 CO 0.09 -1.05 1.27 -0.06 0.01 0.00 0.00 175.29 175.55 2kh2 s PHE 150 N 0.79 3.37 0.45 0.91 0.08 -1.26 0.05 117.98 122.36 2kh2 s PHE 150 Ca 0.11 1.17 0.04 0.00 0.12 0.00 0.00 56.93 58.38 2kh2 s PHE 150 Cb -0.22 -3.52 0.01 0.00 -0.57 0.00 0.00 43.02 38.73 2kh2 s PHE 150 CO -0.05 -1.68 0.63 0.14 -0.10 0.00 0.00 175.22 174.16 2kh2 s VAL 151 N 1.08 3.28 -1.07 -0.44 -7.23 -1.20 -4.93 120.40 109.90 2kh2 s VAL 151 Ca 0.61 -0.81 -0.07 0.00 -1.81 0.00 0.00 61.98 59.89 2kh2 s VAL 151 Cb -0.32 -3.16 -0.09 0.00 0.56 0.00 0.00 36.38 33.37 2kh2 s VAL 151 CO 0.30 -0.09 2.54 -1.20 -0.31 0.00 0.00 175.10 176.34 2kh2 n SER 152 N -1.99 6.29 0.00 4.85 7.64 -1.26 -4.89 113.62 124.25 2kh2 n SER 152 Ca 0.05 -2.41 0.00 0.00 1.01 0.00 0.00 58.87 57.53 2kh2 n SER 152 Cb 0.59 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83