#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 0.74 -4.86 0.00 0.13 -2.07 -3.39 132.00 122.55 2kh2 h PRO 2 Ca 0.00 -0.18 -0.68 0.00 -0.87 0.00 0.00 66.00 64.27 2kh2 h PRO 2 Cb 0.00 -0.09 -0.34 0.00 0.13 0.00 0.00 31.00 30.70 2kh2 h PRO 2 CO 0.00 0.74 -0.75 0.54 -0.23 0.00 0.00 178.00 178.30 2kh2 s VAL 3 N -5.01 2.69 0.06 1.56 0.11 -1.26 -5.00 120.40 113.55 2kh2 s VAL 3 Ca -0.09 -1.31 0.01 0.00 -2.93 0.00 0.00 61.98 57.65 2kh2 s VAL 3 Cb 0.15 -2.47 -0.04 0.00 -1.53 0.00 0.00 36.38 32.49 2kh2 s VAL 3 CO 0.80 0.05 0.17 -0.13 -3.33 0.00 0.00 175.10 172.66 2kh2 s ARG 4 N 1.24 3.28 0.00 1.54 0.52 -1.26 -5.03 118.95 119.24 2kh2 s ARG 4 Ca -0.04 -0.51 -0.13 0.00 -0.52 0.00 0.00 55.73 54.54 2kh2 s ARG 4 Cb -0.18 -2.95 0.02 0.00 0.52 0.00 0.00 34.95 32.35 2kh2 s ARG 4 CO -0.04 0.60 0.27 -1.12 0.02 0.00 0.00 175.30 175.03 2kh2 s SER 5 N -2.45 -0.12 0.30 0.23 0.01 -1.26 -2.53 113.70 107.88 2kh2 s SER 5 Ca 0.33 -0.05 0.06 0.00 1.31 0.00 0.00 55.95 57.60 2kh2 s SER 5 Cb -0.13 0.30 -0.06 0.00 0.21 0.00 0.00 66.02 66.34 2kh2 s SER 5 CO 0.26 -0.47 -0.03 -1.48 0.41 0.00 0.00 173.24 171.93 2kh2 s LEU 6 N -1.53 2.45 -0.04 2.44 0.05 -0.50 -4.92 118.68 116.62 2kh2 s LEU 6 Ca -0.12 -1.24 0.06 0.00 0.05 0.00 0.00 54.13 52.88 2kh2 s LEU 6 Cb -0.04 -0.61 -0.01 0.00 -2.05 0.00 0.00 46.19 43.47 2kh2 s LEU 6 CO 0.02 -0.40 -0.22 0.20 -0.55 0.00 0.00 176.35 175.40 2kh2 s ASN 7 N -3.47 2.63 0.20 1.48 0.01 -1.26 -0.28 114.94 114.24 2kh2 s ASN 7 Ca 0.31 -0.43 -0.23 0.00 -0.71 0.00 0.00 52.86 51.81 2kh2 s ASN 7 Cb 0.05 -0.58 0.05 0.00 0.41 0.00 0.00 41.25 41.18 2kh2 s ASN 7 CO 0.13 0.23 0.67 0.00 -1.51 0.00 0.00 177.10 176.61 2kh2 s THR 9 N -3.78 3.67 -0.18 0.00 2.01 0.58 -0.93 115.64 117.01 2kh2 s THR 9 Ca 0.05 -0.45 -0.09 0.00 0.31 0.00 0.00 61.69 61.51 2kh2 s THR 9 Cb -0.03 -2.57 -0.05 0.00 0.01 0.00 0.00 72.50 69.87 2kh2 s THR 9 CO -0.05 0.53 0.10 -0.76 -0.69 0.00 0.00 174.62 173.75 2kh2 s LEU 10 N 0.07 4.07 0.01 4.42 1.43 -1.26 -2.56 118.68 124.87 2kh2 s LEU 10 Ca -0.02 0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 2kh2 s LEU 10 Cb -0.14 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 2kh2 s LEU 10 CO 0.03 0.20 -0.09 -0.13 0.23 0.00 0.00 176.35 176.60 2kh2 s ARG 11 N 0.20 0.67 0.88 1.70 0.52 -1.20 -3.71 118.95 118.01 2kh2 s ARG 11 Ca 0.07 -0.48 -0.12 0.00 -0.52 0.00 0.00 55.73 54.68 2kh2 s ARG 11 Cb -0.12 -0.61 0.16 0.00 0.52 0.00 0.00 34.95 34.90 2kh2 s ARG 11 CO -0.01 0.16 1.22 0.16 0.02 0.00 0.00 175.30 176.85 2kh2 s ASP 12 N -0.67 3.64 0.00 0.23 -4.77 -0.67 -0.13 116.67 114.31 2kh2 s ASP 12 Ca 0.00 0.23 0.14 0.00 -3.30 0.00 0.00 52.55 49.62 2kh2 s ASP 12 Cb -0.05 -0.44 0.68 0.00 -1.09 0.00 0.00 42.92 42.01 2kh2 s ASP 12 CO 0.00 -2.38 1.40 -1.20 0.70 0.00 0.00 175.17 173.68 2kh2 n SER 13 N -3.48 0.00 -1.43 2.11 7.64 -1.26 -1.98 113.62 115.22 2kh2 n SER 13 Ca 0.14 0.20 0.11 0.00 1.01 0.00 0.00 58.87 60.33 2kh2 n SER 13 Cb 0.60 -0.34 0.34 0.00 -1.01 0.00 0.00 64.21 63.79 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 -1.34 3.00 -1.80 1.43 1.13 -1.26 -4.92 117.38 113.62 2kh2 n GLN 14 Ca 0.06 -2.73 -0.12 0.00 -1.94 0.00 0.00 57.00 52.27 2kh2 n GLN 14 Cb 0.13 -1.66 -0.03 0.00 0.11 0.00 0.00 30.24 28.78 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 1.53 -0.93 -3.58 -1.09 1.13 -0.84 -4.93 117.38 108.68 2kh2 n GLN 15 Ca 0.25 0.77 -0.35 0.00 -1.94 0.00 0.00 57.00 55.73 2kh2 n GLN 15 Cb 0.70 -4.88 -0.05 0.00 0.11 0.00 0.00 30.24 26.12 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 -3.83 3.76 0.17 -1.09 1.02 -1.26 -3.97 119.74 114.54 2kh2 s LYS 16 Ca 0.00 0.18 0.09 0.00 0.02 0.00 0.00 55.97 56.26 2kh2 s LYS 16 Cb 0.00 -3.03 -0.04 0.00 -0.52 0.00 0.00 37.83 34.23 2kh2 s LYS 16 CO 0.00 0.59 -0.11 -1.12 -0.92 0.00 0.00 175.35 173.79 2kh2 s SER 17 N -1.66 4.19 -0.16 2.83 0.01 0.96 -1.67 113.70 118.20 2kh2 s SER 17 Ca 0.31 -0.58 -0.25 0.00 1.31 0.00 0.00 55.95 56.74 2kh2 s SER 17 Cb -0.14 -0.69 -0.02 0.00 0.21 0.00 0.00 66.02 65.38 2kh2 s SER 17 CO 0.17 0.12 0.81 -0.76 0.41 0.00 0.00 173.24 173.99 2kh2 s LEU 18 N -2.72 4.19 0.12 2.44 1.43 -1.24 -1.83 118.68 121.06 2kh2 s LEU 18 Ca 0.24 1.16 0.08 0.00 -1.03 0.00 0.00 54.13 54.58 2kh2 s LEU 18 Cb -0.09 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 2kh2 s LEU 18 CO 0.14 -0.37 -0.18 0.68 0.23 0.00 0.00 176.35 176.85 2kh2 s VAL 19 N 2.01 1.63 -0.30 -1.59 -7.23 0.91 -2.98 120.40 112.85 2kh2 s VAL 19 Ca 0.38 -1.66 -0.27 0.00 -1.81 0.00 0.00 61.98 58.63 2kh2 s VAL 19 Cb -0.17 -1.59 0.01 0.00 0.56 0.00 0.00 36.38 35.19 2kh2 s VAL 19 CO 0.13 -0.20 0.94 -0.04 -0.31 0.00 0.00 175.10 175.62 2kh2 s MET 20 N -2.26 4.05 0.00 4.82 -1.94 -1.26 -0.73 119.30 121.98 2kh2 s MET 20 Ca 0.09 0.90 0.00 0.00 -1.71 0.00 0.00 55.69 54.97 2kh2 s MET 20 Cb -0.08 -3.72 0.00 0.00 2.01 0.00 0.00 34.83 33.04 2kh2 s MET 20 CO 0.05 -0.76 0.00 0.45 -0.01 0.00 0.00 175.02 174.74 2kh2 n SER 21 N 6.49 0.00 -3.09 3.03 2.88 0.35 -4.95 113.62 118.33 2kh2 n SER 21 Ca 0.08 0.01 -0.08 0.00 -1.33 0.00 0.00 58.87 57.56 2kh2 n SER 21 Cb 0.47 -0.02 0.03 0.00 -0.75 0.00 0.00 64.21 63.95 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 2.47 1.51 0.27 0.46 0.00 -1.20 -4.93 105.19 103.77 2kh2 n GLY 22 Ca 0.00 -2.10 0.12 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.25 1.61 0.13 -2.04 -3.02 132.00 128.43 2kh2 h PRO 23 Ca -0.11 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.79 2kh2 h PRO 23 Cb 0.48 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.26 2kh2 h PRO 23 CO 0.15 0.08 -0.97 0.66 -0.23 0.00 0.00 178.00 177.68 2kh2 n TYR 24 N -3.85 0.82 -4.29 1.56 4.01 -1.26 -5.06 117.16 109.08 2kh2 n TYR 24 Ca -0.02 -1.46 -0.20 0.00 -0.16 0.00 0.00 57.90 56.06 2kh2 n TYR 24 Cb 0.17 -0.22 -0.16 0.00 -0.31 0.00 0.00 39.34 38.83 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 -2.29 0.92 -0.06 -0.72 2.12 -1.14 -4.39 118.70 113.14 2kh2 s GLU 25 Ca 0.34 -0.22 0.05 0.00 0.36 0.00 0.00 54.97 55.50 2kh2 s GLU 25 Cb 0.36 -0.87 -0.02 0.00 0.26 0.00 0.00 34.13 33.87 2kh2 s GLU 25 CO -0.08 0.03 -0.20 -0.51 -0.54 0.00 0.00 175.26 173.96 2kh2 s LEU 26 N 0.50 2.40 0.11 2.70 1.43 -1.26 -0.50 118.68 124.05 2kh2 s LEU 26 Ca -0.07 -0.37 0.07 0.00 -1.03 0.00 0.00 54.13 52.73 2kh2 s LEU 26 Cb -0.11 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 2kh2 s LEU 26 CO 0.01 0.28 -0.16 -0.54 0.23 0.00 0.00 176.35 176.16 2kh2 s LYS 27 N -0.36 1.03 -0.17 1.70 1.02 0.09 -1.86 119.74 121.19 2kh2 s LYS 27 Ca 0.03 -1.17 -0.01 0.00 0.02 0.00 0.00 55.97 54.84 2kh2 s LYS 27 Cb -0.12 -1.07 -0.00 0.00 -0.52 0.00 0.00 37.83 36.11 2kh2 s LYS 27 CO 0.02 0.23 -0.12 0.00 -0.92 0.00 0.00 175.35 174.56 2kh2 s ALA 28 N -1.65 2.60 0.16 5.17 0.00 0.60 -0.06 121.76 128.58 2kh2 s ALA 28 Ca 0.06 -1.08 -0.11 0.00 0.00 0.00 0.00 51.96 50.84 2kh2 s ALA 28 Cb -0.08 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.68 2kh2 s ALA 28 CO 0.04 -0.15 0.34 -0.48 0.00 0.00 0.00 175.76 175.51 2kh2 s LEU 29 N 1.00 0.77 -0.01 0.00 0.05 -0.76 -2.40 118.68 117.33 2kh2 s LEU 29 Ca -0.01 -0.75 -0.30 0.00 0.05 0.00 0.00 54.13 53.12 2kh2 s LEU 29 Cb -0.15 1.42 -0.06 0.00 -2.05 0.00 0.00 46.19 45.35 2kh2 s LEU 29 CO -0.02 -0.92 1.58 -1.00 -0.55 0.00 0.00 176.35 175.44 2kh2 s HIS 30 N -3.93 2.36 -0.35 3.48 3.76 -1.26 -0.03 115.29 119.32 2kh2 s HIS 30 Ca 0.14 0.41 0.03 0.00 -0.15 0.00 0.00 55.06 55.49 2kh2 s HIS 30 Cb 0.02 -3.85 0.10 0.00 1.11 0.00 0.00 32.58 29.96 2kh2 s HIS 30 CO -0.02 -3.44 0.07 -1.17 -0.85 0.00 0.00 174.74 169.34 2kh2 s LEU 31 N 3.19 4.22 0.00 0.89 2.96 -1.25 -4.92 118.68 123.76 2kh2 s LEU 31 Ca 0.71 -2.12 0.00 0.00 -0.22 0.00 0.00 54.13 52.50 2kh2 s LEU 31 Cb -0.34 -1.47 0.00 0.00 0.50 0.00 0.00 46.19 44.87 2kh2 s LEU 31 CO 0.29 -0.38 0.00 0.00 -1.32 0.00 0.00 176.35 174.94 2kh2 n GLN 32 N 4.29 2.38 0.00 1.98 6.02 -1.26 -4.75 117.38 126.04 2kh2 n GLN 32 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 2kh2 n GLN 32 Cb 0.41 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.67 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 3.62 3.47 1.08 1.08 0.00 -1.26 -1.98 105.19 111.20 2kh2 n GLY 33 Ca 0.00 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 3.02 -0.14 1.61 -0.06 -1.26 -4.41 117.38 130.13 2kh2 n GLN 34 Ca 0.00 -2.93 0.10 0.00 -2.00 0.00 0.00 57.00 52.18 2kh2 n GLN 34 Cb 0.00 -1.91 0.29 0.00 -4.06 0.00 0.00 30.24 24.57 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 -0.47 2.33 0.02 1.69 9.92 -0.84 -4.26 116.55 124.94 2kh2 n ASP 35 Ca 0.25 -1.85 0.14 0.00 -0.53 0.00 0.00 54.79 52.80 2kh2 n ASP 35 Cb 0.97 -0.18 0.59 0.00 -0.64 0.00 0.00 41.12 41.86 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 2kh2 h MET 36 N 2.95 0.18 0.00 -1.24 4.05 -1.77 -1.46 114.93 117.65 2kh2 h MET 36 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2kh2 h MET 36 Cb 0.65 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.41 2kh2 h MET 36 CO 0.00 0.12 0.20 0.93 0.23 0.00 0.00 176.91 178.39 2kh2 h GLU 37 N 0.19 0.00 0.00 0.39 4.39 -1.96 -0.05 114.58 117.54 2kh2 h GLU 37 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2kh2 h GLU 37 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2kh2 h GLU 37 CO -0.03 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.86 2kh2 n GLN 38 N -2.92 0.76 -1.86 2.33 6.02 -0.55 -4.85 117.38 116.31 2kh2 n GLN 38 Ca -0.02 0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.56 2kh2 n GLN 38 Cb 0.26 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.99 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 -2.13 4.18 -0.05 -1.09 -2.07 -0.03 -4.78 119.66 113.69 2kh2 s GLN 39 Ca 0.38 2.46 -0.18 0.00 -1.82 0.00 0.00 55.36 56.21 2kh2 s GLN 39 Cb 0.19 -3.09 -0.05 0.00 -1.09 0.00 0.00 33.01 28.96 2kh2 s GLN 39 CO 0.34 -0.61 0.49 0.08 -1.32 0.00 0.00 175.29 174.26 2kh2 s VAL 40 N 0.66 5.05 -0.18 3.63 1.01 -1.16 -5.07 120.40 124.35 2kh2 s VAL 40 Ca 0.68 1.00 -0.08 0.00 0.00 0.00 0.00 61.98 63.58 2kh2 s VAL 40 Cb -0.46 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 2kh2 s VAL 40 CO 0.38 0.43 0.08 -0.69 0.00 0.00 0.00 175.10 175.30 2kh2 s VAL 41 N -0.14 4.93 -0.14 2.92 1.01 -1.26 -4.53 120.40 123.19 2kh2 s VAL 41 Ca 0.26 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.21 2kh2 s VAL 41 Cb -0.16 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2kh2 s VAL 41 CO 0.13 0.47 0.05 -0.36 0.00 0.00 0.00 175.10 175.39 2kh2 s PHE 42 N 0.28 3.28 -0.21 5.22 0.08 -0.11 -1.56 117.98 124.96 2kh2 s PHE 42 Ca 0.05 0.19 -0.18 0.00 0.12 0.00 0.00 56.93 57.11 2kh2 s PHE 42 Cb -0.12 -1.95 -0.03 0.00 -0.57 0.00 0.00 43.02 40.35 2kh2 s PHE 42 CO -0.00 0.37 0.50 -1.12 -0.10 0.00 0.00 175.22 174.86 2kh2 s SER 43 N -0.33 6.52 -0.38 1.36 0.01 0.16 -2.20 113.70 118.84 2kh2 s SER 43 Ca 0.08 0.62 -0.13 0.00 1.31 0.00 0.00 55.95 57.83 2kh2 s SER 43 Cb -0.12 -2.28 0.01 0.00 0.21 0.00 0.00 66.02 63.84 2kh2 s SER 43 CO 0.02 -0.18 0.25 -0.04 0.41 0.00 0.00 173.24 173.69 2kh2 s MET 44 N 1.71 3.04 -0.09 12.44 -1.94 0.61 -2.83 119.30 132.24 2kh2 s MET 44 Ca 0.23 -0.96 -0.08 0.00 -1.71 0.00 0.00 55.69 53.16 2kh2 s MET 44 Cb -0.15 -3.84 -0.04 0.00 2.01 0.00 0.00 34.83 32.80 2kh2 s MET 44 CO 0.09 -0.66 0.20 -1.12 -0.01 0.00 0.00 175.02 173.52 2kh2 s SER 45 N 1.64 6.48 -0.83 3.03 0.01 -1.16 -1.41 113.70 121.46 2kh2 s SER 45 Ca 0.04 0.57 -0.25 0.00 1.31 0.00 0.00 55.95 57.62 2kh2 s SER 45 Cb -0.19 -2.10 0.04 0.00 0.21 0.00 0.00 66.02 63.98 2kh2 s SER 45 CO 0.09 0.39 1.30 -0.36 0.41 0.00 0.00 173.24 175.06 2kh2 s PHE 46 N -1.05 2.44 0.00 2.43 0.08 -1.05 -1.29 117.98 119.53 2kh2 s PHE 46 Ca 0.17 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 56.81 2kh2 s PHE 46 Cb -0.13 -4.60 0.00 0.00 -0.57 0.00 0.00 43.02 37.72 2kh2 s PHE 46 CO 0.06 -1.97 0.00 1.33 -0.10 0.00 0.00 175.22 174.55 2kh2 n VAL 47 N 6.45 0.00 -4.67 -0.44 0.24 -1.11 -4.79 118.33 114.01 2kh2 n VAL 47 Ca 0.13 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 62.12 2kh2 n VAL 47 Cb 0.49 -1.53 -0.13 0.00 -1.47 0.00 0.00 33.84 31.21 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 -0.13 2.11 0.00 7.34 2.00 -1.23 -4.86 119.66 124.89 2kh2 s GLN 48 Ca 0.00 -0.96 0.00 0.00 -2.00 0.00 0.00 55.36 52.40 2kh2 s GLN 48 Cb 0.00 -2.20 0.00 0.00 0.80 0.00 0.00 33.01 31.61 2kh2 s GLN 48 CO 0.00 0.55 0.00 0.41 -0.50 0.00 0.00 175.29 175.75 2kh2 n GLY 49 N 1.60 -0.35 3.55 2.59 0.00 -1.26 -4.97 105.19 106.36 2kh2 n GLY 49 Ca -0.16 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.00 3.35 -0.79 1.61 2.12 -1.26 -4.94 118.70 116.79 2kh2 s GLU 50 Ca 0.00 -0.06 -0.00 0.00 0.36 0.00 0.00 54.97 55.27 2kh2 s GLU 50 Cb 0.00 -4.09 0.19 0.00 0.26 0.00 0.00 34.13 30.49 2kh2 s GLU 50 CO 0.00 -1.83 0.64 -2.00 -0.54 0.00 0.00 175.26 171.53 2kh2 s GLU 51 N 5.03 2.92 0.00 4.30 2.12 -1.25 -3.49 118.70 128.33 2kh2 s GLU 51 Ca 0.37 -3.14 0.00 0.00 0.36 0.00 0.00 54.97 52.56 2kh2 s GLU 51 Cb -0.09 -3.78 0.00 0.00 0.26 0.00 0.00 34.13 30.53 2kh2 s GLU 51 CO 0.20 -1.25 0.00 -1.13 -0.54 0.00 0.00 175.26 172.54 2kh2 n SER 52 N 2.48 0.00 -0.13 -1.70 3.41 0.55 -4.98 113.62 113.25 2kh2 n SER 52 Ca 0.18 -0.22 0.13 0.00 -0.26 0.00 0.00 58.87 58.70 2kh2 n SER 52 Cb 0.36 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.72 2kh2 n SER 52 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2kh2 n ASN 53 N -0.67 0.69 0.00 4.04 4.13 -1.26 -4.30 115.26 117.89 2kh2 n ASN 53 Ca 0.00 -0.55 0.00 0.00 1.68 0.00 0.00 54.58 55.71 2kh2 n ASN 53 Cb 0.00 0.09 0.00 0.00 -1.54 0.00 0.00 39.78 38.33 2kh2 n ASN 53 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 2kh2 n ASP 54 N -1.01 2.92 -4.51 6.41 5.75 -1.26 -5.01 116.55 119.84 2kh2 n ASP 54 Ca 0.10 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.49 2kh2 n ASP 54 Cb 0.33 0.00 -0.11 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 -1.89 3.52 -0.12 0.11 1.02 -1.24 -2.64 119.74 118.50 2kh2 s LYS 55 Ca 0.00 -0.61 0.01 0.00 0.02 0.00 0.00 55.97 55.39 2kh2 s LYS 55 Cb 0.00 -3.69 -0.01 0.00 -0.52 0.00 0.00 37.83 33.61 2kh2 s LYS 55 CO 0.00 -0.38 -0.15 0.42 -0.92 0.00 0.00 175.35 174.32 2kh2 s ILE 56 N 1.69 2.91 -0.36 2.17 -1.09 -0.75 -0.33 121.20 125.43 2kh2 s ILE 56 Ca 0.06 -0.72 -0.29 0.00 -2.23 0.00 0.00 60.65 57.47 2kh2 s ILE 56 Cb -0.17 -2.20 0.02 0.00 -1.58 0.00 0.00 42.46 38.53 2kh2 s ILE 56 CO 0.09 0.54 1.08 -2.16 -1.23 0.00 0.00 174.94 173.26 2kh2 s PRO 57 N 0.23 3.96 0.10 2.79 0.04 -1.23 -0.02 135.00 140.88 2kh2 s PRO 57 Ca -0.10 0.91 0.01 0.00 0.04 0.00 0.00 61.00 61.86 2kh2 s PRO 57 Cb -0.16 -3.79 -0.04 0.00 0.04 0.00 0.00 34.50 30.56 2kh2 s PRO 57 CO 0.06 -1.03 -0.04 0.14 0.04 0.00 0.00 177.00 176.16 2kh2 s VAL 58 N 3.85 0.55 0.14 -0.36 -7.23 0.21 -2.75 120.40 114.81 2kh2 s VAL 58 Ca 0.46 -1.91 0.03 0.00 -1.81 0.00 0.00 61.98 58.75 2kh2 s VAL 58 Cb -0.11 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 2kh2 s VAL 58 CO 0.20 -0.84 0.19 0.00 -0.31 0.00 0.00 175.10 174.34 2kh2 s ALA 59 N -3.72 3.75 -0.20 1.32 0.00 -0.41 -0.66 121.76 121.84 2kh2 s ALA 59 Ca 0.13 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 2kh2 s ALA 59 Cb 0.06 -1.57 0.06 0.00 0.00 0.00 0.00 23.12 21.67 2kh2 s ALA 59 CO -0.05 0.58 -0.02 -0.51 0.00 0.00 0.00 175.76 175.76 2kh2 s LEU 60 N -2.99 1.89 0.18 0.00 1.43 -1.26 -2.97 118.68 114.96 2kh2 s LEU 60 Ca 0.32 -0.94 -0.00 0.00 -1.03 0.00 0.00 54.13 52.48 2kh2 s LEU 60 Cb -0.11 -0.92 -0.04 0.00 0.03 0.00 0.00 46.19 45.14 2kh2 s LEU 60 CO 0.25 -0.25 0.08 -0.83 0.23 0.00 0.00 176.35 175.84 2kh2 s GLY 61 N 1.60 1.29 0.14 -3.19 0.00 -1.13 -1.09 107.32 104.95 2kh2 s GLY 61 Ca -0.03 -1.63 -0.30 0.00 0.00 0.00 0.00 44.72 42.76 2kh2 s GLY 61 CO -0.07 -1.44 1.02 1.08 0.00 0.00 0.00 173.10 173.69 2kh2 s LEU 62 N -3.15 4.50 0.21 0.66 1.02 -0.09 -0.66 118.68 121.17 2kh2 s LEU 62 Ca 0.31 1.93 -0.32 0.00 0.02 0.00 0.00 54.13 56.07 2kh2 s LEU 62 Cb 0.07 -3.60 -0.13 0.00 0.02 0.00 0.00 46.19 42.55 2kh2 s LEU 62 CO 0.07 -0.13 1.49 1.17 0.02 0.00 0.00 176.35 178.98 2kh2 n LYS 63 N 2.57 2.15 -1.91 1.70 4.81 -0.60 -1.83 118.16 125.04 2kh2 n LYS 63 Ca 0.02 0.77 -0.12 0.00 -0.87 0.00 0.00 58.31 58.11 2kh2 n LYS 63 Cb 0.48 -2.48 -0.03 0.00 0.02 0.00 0.00 35.03 33.02 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 2.59 -1.76 -4.17 1.64 0.28 -1.26 -4.94 120.64 113.02 2kh2 n GLU 64 Ca 0.13 0.65 -0.16 0.00 -0.16 0.00 0.00 57.16 57.63 2kh2 n GLU 64 Cb 0.31 -5.07 -0.11 0.00 1.43 0.00 0.00 31.44 28.00 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 -4.05 0.81 -0.20 3.44 1.02 -0.76 -5.03 119.74 114.97 2kh2 s LYS 65 Ca 0.00 -1.05 0.05 0.00 0.02 0.00 0.00 55.97 55.00 2kh2 s LYS 65 Cb 0.00 -0.63 0.44 0.00 -0.52 0.00 0.00 37.83 37.12 2kh2 s LYS 65 CO 0.00 0.12 1.38 0.27 -0.92 0.00 0.00 175.35 176.20 2kh2 n ASN 66 N 0.91 3.63 -4.51 2.83 6.94 -1.26 -4.48 115.26 119.32 2kh2 n ASN 66 Ca -0.19 -2.73 -0.37 0.00 -0.02 0.00 0.00 54.58 51.27 2kh2 n ASN 66 Cb 0.56 -0.65 -0.12 0.00 -2.36 0.00 0.00 39.78 37.21 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 -1.77 3.72 0.11 -4.53 1.43 -1.26 -2.22 118.68 114.16 2kh2 s LEU 67 Ca 0.33 -0.13 0.08 0.00 -1.03 0.00 0.00 54.13 53.38 2kh2 s LEU 67 Cb 0.26 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 2kh2 s LEU 67 CO 0.08 -0.05 -0.21 -0.31 0.23 0.00 0.00 176.35 176.10 2kh2 s TYR 68 N 1.68 1.81 -0.01 0.29 1.51 -0.83 -0.92 117.35 120.88 2kh2 s TYR 68 Ca 0.07 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.40 2kh2 s TYR 68 Cb -0.16 -0.98 -0.04 0.00 -0.11 0.00 0.00 41.96 40.67 2kh2 s TYR 68 CO 0.07 0.23 1.27 -0.51 -1.11 0.00 0.00 175.55 175.50 2kh2 s LEU 69 N -2.02 4.31 -0.02 -1.29 1.43 -0.25 -0.65 118.68 120.19 2kh2 s LEU 69 Ca 0.08 1.96 0.06 0.00 -1.03 0.00 0.00 54.13 55.20 2kh2 s LEU 69 Cb -0.09 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.55 2kh2 s LEU 69 CO 0.05 -0.62 -0.22 -0.55 0.23 0.00 0.00 176.35 175.24 2kh2 s SER 70 N 1.54 2.57 -0.33 2.29 0.15 0.60 -4.45 113.70 116.07 2kh2 s SER 70 Ca 0.59 -0.40 -0.09 0.00 0.70 0.00 0.00 55.95 56.75 2kh2 s SER 70 Cb -0.28 -0.38 0.02 0.00 -1.71 0.00 0.00 66.02 63.67 2kh2 s SER 70 CO 0.25 0.25 0.14 0.00 1.20 0.00 0.00 173.24 175.08 2kh2 s VAL 72 N 1.52 0.27 -0.21 0.00 -7.23 -0.90 -4.71 120.40 109.14 2kh2 s VAL 72 Ca 0.02 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.06 2kh2 s VAL 72 Cb -0.18 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 2kh2 s VAL 72 CO 0.05 -0.01 0.29 -0.76 -0.31 0.00 0.00 175.10 174.35 2kh2 s LEU 73 N -3.23 4.15 -0.12 1.32 1.43 -1.26 0.04 118.68 121.01 2kh2 s LEU 73 Ca 0.38 0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 53.83 2kh2 s LEU 73 Cb 0.07 -2.33 0.03 0.00 0.03 0.00 0.00 46.19 43.99 2kh2 s LEU 73 CO 0.12 0.00 -0.06 -0.54 0.23 0.00 0.00 176.35 176.11 2kh2 s LYS 74 N 1.09 1.41 -1.24 1.70 1.02 0.28 -4.80 119.74 119.21 2kh2 s LYS 74 Ca 0.14 -0.29 -0.01 0.00 0.02 0.00 0.00 55.97 55.83 2kh2 s LYS 74 Cb -0.14 -1.65 0.00 0.00 -0.52 0.00 0.00 37.83 35.53 2kh2 s LYS 74 CO 0.06 -0.32 0.96 -3.47 -0.92 0.00 0.00 175.35 171.67 2kh2 n ASP 75 N 4.95 -2.28 -1.78 2.83 -0.08 -1.26 -2.04 116.55 116.89 2kh2 n ASP 75 Ca -0.12 -0.65 -0.20 0.00 -1.51 0.00 0.00 54.79 52.31 2kh2 n ASP 75 Cb 0.49 -4.92 -0.06 0.00 2.34 0.00 0.00 41.12 38.97 2kh2 n ASP 75 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kh2 n ASP 76 N -3.10 -5.51 -3.72 1.67 9.92 -1.26 -4.98 116.55 109.57 2kh2 n ASP 76 Ca -0.26 0.32 -0.15 0.00 -0.53 0.00 0.00 54.79 54.17 2kh2 n ASP 76 Cb 0.66 -4.68 -0.15 0.00 -0.64 0.00 0.00 41.12 36.31 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 -4.13 0.06 0.11 -1.24 2.47 -0.86 -5.12 119.74 111.02 2kh2 s LYS 77 Ca 0.00 0.43 -0.31 0.00 -1.56 0.00 0.00 55.97 54.53 2kh2 s LYS 77 Cb 0.00 -0.22 -0.10 0.00 -1.46 0.00 0.00 37.83 36.05 2kh2 s LYS 77 CO 0.00 -0.22 1.75 -2.14 0.16 0.00 0.00 175.35 174.90 2kh2 s PRO 78 N 1.59 4.16 0.09 4.03 0.02 -1.26 -0.56 135.00 143.06 2kh2 s PRO 78 Ca -0.05 2.49 0.03 0.00 0.02 0.00 0.00 61.00 63.50 2kh2 s PRO 78 Cb -0.12 -3.54 -0.03 0.00 0.02 0.00 0.00 34.50 30.82 2kh2 s PRO 78 CO -0.06 -0.79 -0.09 0.99 -0.33 0.00 0.00 177.00 176.72 2kh2 s THR 79 N 2.53 0.85 -0.00 0.99 2.01 0.11 -4.69 115.64 117.44 2kh2 s THR 79 Ca 0.78 -1.57 -0.08 0.00 0.31 0.00 0.00 61.69 61.13 2kh2 s THR 79 Cb -0.44 -1.26 -0.05 0.00 0.01 0.00 0.00 72.50 70.76 2kh2 s THR 79 CO 0.34 -0.55 0.28 -0.22 -0.69 0.00 0.00 174.62 173.78 2kh2 s LEU 80 N -2.34 4.38 0.31 4.42 2.96 -1.26 -2.12 118.68 125.03 2kh2 s LEU 80 Ca 0.03 0.61 -0.13 0.00 -0.22 0.00 0.00 54.13 54.42 2kh2 s LEU 80 Cb -0.03 -2.61 0.02 0.00 0.50 0.00 0.00 46.19 44.06 2kh2 s LEU 80 CO -0.00 0.27 0.61 0.00 -1.32 0.00 0.00 176.35 175.91 2kh2 s GLN 81 N -1.61 1.86 -0.24 1.98 -2.07 -0.50 -4.89 119.66 114.20 2kh2 s GLN 81 Ca 0.26 -1.36 -0.07 0.00 -1.82 0.00 0.00 55.36 52.37 2kh2 s GLN 81 Cb -0.13 0.53 -0.03 0.00 -1.09 0.00 0.00 33.01 32.29 2kh2 s GLN 81 CO 0.14 -0.82 0.05 -0.51 -1.32 0.00 0.00 175.29 172.83 2kh2 s LEU 82 N -3.06 3.39 -0.11 2.60 2.01 -1.26 -0.29 118.68 121.95 2kh2 s LEU 82 Ca 0.20 -0.20 -0.03 0.00 0.01 0.00 0.00 54.13 54.10 2kh2 s LEU 82 Cb -0.03 -1.90 -0.03 0.00 0.01 0.00 0.00 46.19 44.24 2kh2 s LEU 82 CO 0.12 -0.01 0.02 -1.61 1.01 0.00 0.00 176.35 175.88 2kh2 s GLU 83 N 1.44 3.24 -0.41 1.70 2.02 0.17 -4.90 118.70 121.97 2kh2 s GLU 83 Ca 0.05 -0.37 -0.20 0.00 0.02 0.00 0.00 54.97 54.48 2kh2 s GLU 83 Cb -0.15 -2.91 0.02 0.00 0.10 0.00 0.00 34.13 31.18 2kh2 s GLU 83 CO 0.03 0.61 0.58 -1.12 0.02 0.00 0.00 175.26 175.38 2kh2 s SER 84 N -0.62 6.31 0.32 -0.19 0.01 -1.26 -1.96 113.70 116.31 2kh2 s SER 84 Ca 0.10 -0.28 0.10 0.00 1.31 0.00 0.00 55.95 57.18 2kh2 s SER 84 Cb -0.12 -2.29 -0.05 0.00 0.21 0.00 0.00 66.02 63.77 2kh2 s SER 84 CO 0.02 -0.67 -0.03 0.68 0.41 0.00 0.00 173.24 173.66 2kh2 s VAL 85 N 2.61 2.74 -0.19 3.43 -7.23 -0.94 -5.06 120.40 115.76 2kh2 s VAL 85 Ca 0.20 -2.04 -0.34 0.00 -1.81 0.00 0.00 61.98 57.99 2kh2 s VAL 85 Cb -0.15 -2.72 -0.11 0.00 0.56 0.00 0.00 36.38 33.96 2kh2 s VAL 85 CO 0.16 -0.26 1.98 -0.67 -0.31 0.00 0.00 175.10 176.00 2kh2 n ASP 86 N -0.88 2.98 0.29 4.85 4.64 -1.26 -4.84 116.55 122.33 2kh2 n ASP 86 Ca -0.05 0.76 0.15 0.00 -1.38 0.00 0.00 54.79 54.27 2kh2 n ASP 86 Cb 0.61 -1.34 0.89 0.00 -1.04 0.00 0.00 41.12 40.25 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 10.45 0.00 0.00 -0.67 0.11 -1.92 -0.49 132.00 139.47 2kh2 h PRO 87 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 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 0.97 0.03 -1.18 0.36 -0.21 0.00 0.00 178.00 177.97 2kh2 n LYS 88 N -3.72 0.44 0.00 1.05 2.85 -1.26 -4.01 118.16 113.51 2kh2 n LYS 88 Ca -0.03 -0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.33 2kh2 n LYS 88 Cb 0.12 -1.65 0.07 0.00 -0.65 0.00 0.00 35.03 32.93 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 -2.22 2.56 -4.00 -5.58 3.02 -0.78 -4.94 115.26 103.31 2kh2 n ASN 89 Ca 0.00 -1.78 -0.14 0.00 -0.03 0.00 0.00 54.58 52.63 2kh2 n ASN 89 Cb 0.49 0.06 -0.13 0.00 -0.61 0.00 0.00 39.78 39.60 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 -1.74 0.55 0.58 3.10 1.51 -0.26 -4.47 117.35 116.61 2kh2 s TYR 90 Ca 0.22 -0.28 -0.08 0.00 -1.01 0.00 0.00 57.07 55.93 2kh2 s TYR 90 Cb 0.17 -0.34 0.13 0.00 -0.11 0.00 0.00 41.96 41.81 2kh2 s TYR 90 CO 0.28 -0.04 0.79 -0.35 -1.11 0.00 0.00 175.55 175.12 2kh2 n PRO 91 N 2.27 -0.56 -3.92 -1.71 -0.04 -1.26 -4.71 135.00 125.07 2kh2 n PRO 91 Ca -0.17 -1.43 -0.09 0.00 -0.04 0.00 0.00 63.50 61.76 2kh2 n PRO 91 Cb 0.57 -0.75 -0.07 0.00 -0.04 0.00 0.00 33.50 33.21 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 -4.66 1.12 0.14 0.54 -2.85 -1.26 -5.06 119.74 107.71 2kh2 s LYS 92 Ca 0.47 -1.11 -0.14 0.00 -1.00 0.00 0.00 55.97 54.18 2kh2 s LYS 92 Cb -0.02 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.14 2kh2 s LYS 92 CO 0.32 -0.41 1.64 -0.22 0.10 0.00 0.00 175.35 176.78 2kh2 h LYS 93 N 2.55 0.71 -3.63 1.78 3.64 -1.94 -3.35 116.57 116.33 2kh2 h LYS 93 Ca -0.32 -0.17 -0.73 0.00 -1.27 0.00 0.00 60.65 58.16 2kh2 h LYS 93 Cb 1.23 -0.09 -0.32 0.00 -0.41 0.00 0.00 32.23 32.63 2kh2 h LYS 93 CO 0.49 0.71 -0.20 0.21 -2.27 0.00 0.00 179.45 178.39 2kh2 s LYS 94 N -5.29 2.95 0.63 1.90 2.47 -1.26 -3.49 119.74 117.65 2kh2 s LYS 94 Ca -0.13 -2.57 -0.07 0.00 -1.56 0.00 0.00 55.97 51.64 2kh2 s LYS 94 Cb 0.11 -3.97 0.02 0.00 -1.46 0.00 0.00 37.83 32.53 2kh2 s LYS 94 CO 0.78 -1.22 0.96 -1.64 0.16 0.00 0.00 175.35 174.40 2kh2 s MET 95 N -0.10 2.80 0.70 4.03 -1.94 -1.26 -5.04 119.30 118.50 2kh2 s MET 95 Ca 0.18 0.07 -0.16 0.00 -1.71 0.00 0.00 55.69 54.07 2kh2 s MET 95 Cb -0.16 -2.20 0.02 0.00 2.01 0.00 0.00 34.83 34.50 2kh2 s MET 95 CO -0.06 -0.86 1.25 -1.21 -0.01 0.00 0.00 175.02 174.14 2kh2 s GLU 96 N -5.12 2.26 0.61 2.03 8.01 -1.26 -4.84 118.70 120.39 2kh2 s GLU 96 Ca 0.56 1.92 0.34 0.00 0.01 0.00 0.00 54.97 57.79 2kh2 s GLU 96 Cb -0.11 -1.83 1.99 0.00 -4.31 0.00 0.00 34.13 29.88 2kh2 s GLU 96 CO 0.47 -1.78 2.29 -0.22 0.01 0.00 0.00 175.26 176.02 2kh2 h LYS 97 N 0.04 0.00 0.00 1.61 1.63 -1.96 0.55 116.57 118.44 2kh2 h LYS 97 Ca -0.49 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 2kh2 h LYS 97 Cb 1.32 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.95 2kh2 h LYS 97 CO 0.51 0.00 0.00 2.89 -3.45 0.00 0.00 179.45 179.40 2kh2 n ARG 98 N -3.63 0.05 -0.05 1.90 1.85 -1.26 -2.73 116.66 112.80 2kh2 n ARG 98 Ca -0.03 0.14 0.04 0.00 -1.00 0.00 0.00 57.85 57.00 2kh2 n ARG 98 Cb 0.08 -1.57 0.06 0.00 -1.05 0.00 0.00 32.46 29.98 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 -1.67 0.12 -3.44 2.89 3.72 0.17 -1.03 117.46 118.21 2kh2 n PHE 99 Ca 0.05 -0.17 -0.39 0.00 -0.05 0.00 0.00 57.45 56.89 2kh2 n PHE 99 Cb 0.29 -0.01 -0.10 0.00 -0.94 0.00 0.00 39.48 38.73 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 -0.81 5.21 0.04 -4.37 1.01 -1.09 -4.13 120.40 116.26 2kh2 s VAL 100 Ca 0.13 0.43 0.06 0.00 0.00 0.00 0.00 61.98 62.60 2kh2 s VAL 100 Cb 0.08 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 2kh2 s VAL 100 CO 0.11 0.17 -0.14 -0.36 0.00 0.00 0.00 175.10 174.88 2kh2 s PHE 101 N 1.98 2.66 -0.41 5.22 0.08 0.17 -2.19 117.98 125.48 2kh2 s PHE 101 Ca 0.13 -0.19 -0.13 0.00 0.12 0.00 0.00 56.93 56.86 2kh2 s PHE 101 Cb -0.16 -1.49 0.04 0.00 -0.57 0.00 0.00 43.02 40.84 2kh2 s PHE 101 CO 0.10 0.30 0.28 1.21 -0.10 0.00 0.00 175.22 177.02 2kh2 s ASN 102 N -1.52 5.92 -0.58 1.36 3.04 0.16 -0.61 114.94 122.70 2kh2 s ASN 102 Ca 0.16 -1.12 -0.27 0.00 0.04 0.00 0.00 52.86 51.67 2kh2 s ASN 102 Cb -0.11 -2.09 -0.01 0.00 -1.54 0.00 0.00 41.25 37.50 2kh2 s ASN 102 CO 0.07 -0.49 1.76 -0.75 -3.04 0.00 0.00 177.10 174.65 2kh2 s LYS 103 N 1.59 2.83 0.13 0.43 2.20 0.98 -1.84 119.74 126.05 2kh2 s LYS 103 Ca 0.03 0.63 -0.22 0.00 -0.36 0.00 0.00 55.97 56.05 2kh2 s LYS 103 Cb -0.21 -4.32 -0.07 0.00 -1.51 0.00 0.00 37.83 31.72 2kh2 s LYS 103 CO 0.07 -2.49 0.68 0.42 -0.36 0.00 0.00 175.35 173.66 2kh2 s ILE 104 N 8.23 4.55 -0.16 5.43 1.01 0.12 -1.82 121.20 138.56 2kh2 s ILE 104 Ca 0.65 1.46 -0.01 0.00 0.00 0.00 0.00 60.65 62.75 2kh2 s ILE 104 Cb -0.13 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.32 2kh2 s ILE 104 CO 0.22 0.52 -0.13 -0.70 0.00 0.00 0.00 174.94 174.85 2kh2 s GLU 105 N -1.18 3.29 0.00 2.79 2.12 -1.08 -0.99 118.70 123.65 2kh2 s GLU 105 Ca 0.33 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 54.95 2kh2 s GLU 105 Cb -0.21 -2.69 0.00 0.00 0.26 0.00 0.00 34.13 31.49 2kh2 s GLU 105 CO 0.23 0.04 0.00 0.44 -0.54 0.00 0.00 175.26 175.43 2kh2 n ILE 106 N 4.02 0.00 0.00 -3.70 -5.35 -1.22 -4.95 119.36 108.16 2kh2 n ILE 106 Ca -0.19 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 2kh2 n ILE 106 Cb 0.52 -0.64 0.00 0.00 -1.74 0.00 0.00 39.64 37.78 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 -0.98 0.00 0.00 7.28 0.23 -1.26 -4.95 115.26 115.58 2kh2 n ASN 107 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2kh2 n ASN 107 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 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 -0.46 0.98 -4.74 0.53 4.05 -1.26 -5.03 115.26 109.33 2kh2 n ASN 108 Ca 0.00 -1.19 -0.29 0.00 0.45 0.00 0.00 54.58 53.55 2kh2 n ASN 108 Cb 0.00 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 40.94 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 -0.19 2.72 -0.09 1.20 -0.14 -1.26 -4.84 119.74 117.13 2kh2 s LYS 109 Ca 0.00 -0.82 0.01 0.00 -1.36 0.00 0.00 55.97 53.80 2kh2 s LYS 109 Cb 0.00 -2.61 -0.02 0.00 -1.68 0.00 0.00 37.83 33.52 2kh2 s LYS 109 CO 0.00 0.53 -0.12 -0.51 -0.76 0.00 0.00 175.35 174.49 2kh2 s LEU 110 N -2.59 2.84 0.09 3.17 1.43 -0.22 -3.40 118.68 119.99 2kh2 s LEU 110 Ca 0.28 -0.21 0.05 0.00 -1.03 0.00 0.00 54.13 53.22 2kh2 s LEU 110 Cb -0.11 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 2kh2 s LEU 110 CO 0.21 0.26 -0.03 -1.61 0.23 0.00 0.00 176.35 175.41 2kh2 s GLU 111 N -0.23 2.44 -0.34 1.70 2.02 -0.16 -0.14 118.70 123.98 2kh2 s GLU 111 Ca 0.02 -0.88 0.02 0.00 0.02 0.00 0.00 54.97 54.15 2kh2 s GLU 111 Cb -0.13 -2.48 0.09 0.00 0.10 0.00 0.00 34.13 31.72 2kh2 s GLU 111 CO 0.03 0.54 0.06 -0.06 0.02 0.00 0.00 175.26 175.85 2kh2 s PHE 112 N -1.26 3.62 -0.03 1.61 0.08 -1.26 0.12 117.98 120.86 2kh2 s PHE 112 Ca 0.24 -2.68 -0.11 0.00 0.12 0.00 0.00 56.93 54.50 2kh2 s PHE 112 Cb -0.11 -2.80 -0.05 0.00 -0.57 0.00 0.00 43.02 39.49 2kh2 s PHE 112 CO 0.16 -0.93 0.31 -2.00 -0.10 0.00 0.00 175.22 172.66 2kh2 s GLU 113 N 1.01 3.73 0.04 0.44 2.12 -0.77 -1.13 118.70 124.15 2kh2 s GLU 113 Ca 0.06 0.18 -0.30 0.00 0.36 0.00 0.00 54.97 55.28 2kh2 s GLU 113 Cb -0.20 -3.18 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 2kh2 s GLU 113 CO -0.06 0.70 1.04 0.45 -0.54 0.00 0.00 175.26 176.86 2kh2 s SER 114 N -1.18 7.30 0.19 -1.70 0.15 0.18 0.40 113.70 119.04 2kh2 s SER 114 Ca 0.22 1.80 -0.06 0.00 0.70 0.00 0.00 55.95 58.61 2kh2 s SER 114 Cb -0.15 -2.58 0.10 0.00 -1.71 0.00 0.00 66.02 61.69 2kh2 s SER 114 CO 0.11 -0.30 1.56 0.00 1.20 0.00 0.00 173.24 175.81 2kh2 h ALA 115 N 6.58 0.75 -0.24 5.45 0.00 -1.70 -2.97 119.26 127.13 2kh2 h ALA 115 Ca -0.42 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 53.96 2kh2 h ALA 115 Cb 1.22 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2kh2 h ALA 115 CO 0.76 0.66 -0.32 0.37 0.00 0.00 0.00 179.25 180.72 2kh2 h GLN 116 N 0.66 0.49 -3.39 0.00 4.15 -1.77 -3.37 115.11 111.88 2kh2 h GLN 116 Ca 0.07 -0.21 -0.63 0.00 0.77 0.00 0.00 58.65 58.65 2kh2 h GLN 116 Cb 0.88 -0.02 -0.41 0.00 0.21 0.00 0.00 27.48 28.14 2kh2 h GLN 116 CO 0.08 0.75 -0.67 -0.06 -1.93 0.00 0.00 178.83 177.00 2kh2 s PHE 117 N -4.38 2.85 0.32 3.99 0.08 -1.13 -5.10 117.98 114.62 2kh2 s PHE 117 Ca -0.07 -2.90 -0.29 0.00 0.12 0.00 0.00 56.93 53.78 2kh2 s PHE 117 Cb 0.13 -2.53 -0.12 0.00 -0.57 0.00 0.00 43.02 39.93 2kh2 s PHE 117 CO 0.80 -0.78 1.54 -2.30 -0.10 0.00 0.00 175.22 174.38 2kh2 n PRO 118 N 3.39 2.65 -0.99 0.24 -0.02 -1.21 -2.05 135.00 137.00 2kh2 n PRO 118 Ca 0.06 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 2kh2 n PRO 118 Cb 0.34 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 2kh2 n PRO 118 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2kh2 n ASN 119 N 1.47 -3.23 -4.27 2.55 2.85 -1.26 -5.00 115.26 108.37 2kh2 n ASN 119 Ca 0.06 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 54.16 2kh2 n ASN 119 Cb 0.37 -0.93 -0.13 0.00 1.24 0.00 0.00 39.78 40.34 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 2kh2 s TRP 120 N -1.96 3.19 0.17 1.20 0.52 -0.87 -4.44 118.94 116.75 2kh2 s TRP 120 Ca 0.00 -1.36 0.06 0.00 0.02 0.00 0.00 56.10 54.82 2kh2 s TRP 120 Cb 0.00 -2.21 -0.04 0.00 -1.15 0.00 0.00 33.47 30.07 2kh2 s TRP 120 CO 0.00 -0.69 0.05 0.71 0.02 0.00 0.00 176.95 177.04 2kh2 s TYR 121 N 1.40 2.96 -0.33 -1.98 1.51 0.20 -0.64 117.35 120.48 2kh2 s TYR 121 Ca -0.01 -0.09 -0.29 0.00 -1.01 0.00 0.00 57.07 55.68 2kh2 s TYR 121 Cb -0.18 -1.43 -0.01 0.00 -0.11 0.00 0.00 41.96 40.22 2kh2 s TYR 121 CO 0.01 0.52 1.66 0.42 -1.11 0.00 0.00 175.55 177.04 2kh2 s ILE 122 N -1.73 3.64 0.26 2.71 1.01 -0.28 -0.33 121.20 126.48 2kh2 s ILE 122 Ca 0.29 0.66 0.10 0.00 0.00 0.00 0.00 60.65 61.70 2kh2 s ILE 122 Cb -0.10 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 2kh2 s ILE 122 CO 0.20 -0.48 -0.01 -0.44 0.00 0.00 0.00 174.94 174.21 2kh2 s SER 123 N 5.12 4.53 0.03 3.58 0.01 0.26 -4.49 113.70 122.75 2kh2 s SER 123 Ca 0.73 -0.65 0.03 0.00 1.31 0.00 0.00 55.95 57.37 2kh2 s SER 123 Cb -0.20 -0.84 -0.02 0.00 0.21 0.00 0.00 66.02 65.17 2kh2 s SER 123 CO 0.33 0.00 -0.09 0.42 0.41 0.00 0.00 173.24 174.31 2kh2 s THR 124 N -2.32 0.68 0.63 1.44 -4.23 -0.10 -2.47 115.64 109.28 2kh2 s THR 124 Ca 0.31 -0.89 -0.07 0.00 -1.18 0.00 0.00 61.69 59.86 2kh2 s THR 124 Cb -0.06 -0.68 0.02 0.00 1.34 0.00 0.00 72.50 73.12 2kh2 s THR 124 CO 0.20 -0.18 0.96 -0.44 -0.54 0.00 0.00 174.62 174.62 2kh2 s SER 125 N -1.18 5.44 0.17 3.99 0.01 -1.26 -0.10 113.70 120.77 2kh2 s SER 125 Ca -0.04 0.75 -0.07 0.00 1.31 0.00 0.00 55.95 57.90 2kh2 s SER 125 Cb -0.08 -1.66 0.05 0.00 0.21 0.00 0.00 66.02 64.55 2kh2 s SER 125 CO 0.01 -1.20 1.51 1.56 0.41 0.00 0.00 173.24 175.53 2kh2 h GLN 126 N -0.33 0.77 -7.08 12.44 1.08 -1.98 -3.45 115.11 116.56 2kh2 h GLN 126 Ca -0.45 -0.42 -0.55 0.00 -1.45 0.00 0.00 58.65 55.78 2kh2 h GLN 126 Cb 1.26 0.02 0.14 0.00 -0.05 0.00 0.00 27.48 28.86 2kh2 h GLN 126 CO 0.61 1.05 0.56 0.00 -0.95 0.00 0.00 178.83 180.10 2kh2 s ALA 127 N -4.28 2.62 0.45 3.87 0.00 -1.26 -4.99 121.76 118.16 2kh2 s ALA 127 Ca -0.09 1.26 -0.20 0.00 0.00 0.00 0.00 51.96 52.93 2kh2 s ALA 127 Cb 0.11 -3.55 -0.10 0.00 0.00 0.00 0.00 23.12 19.58 2kh2 s ALA 127 CO 0.86 -1.44 0.95 -2.00 0.00 0.00 0.00 175.76 174.13 2kh2 s GLU 128 N -3.13 4.15 -1.22 0.00 2.56 -1.26 -3.93 118.70 115.87 2kh2 s GLU 128 Ca 0.76 1.06 -0.00 0.00 0.00 0.00 0.00 54.97 56.79 2kh2 s GLU 128 Cb -0.38 -2.18 0.00 0.00 2.00 0.00 0.00 34.13 33.56 2kh2 s GLU 128 CO 0.43 -0.08 0.06 -1.71 -0.56 0.00 0.00 175.26 173.40 2kh2 n ASN 129 N -0.86 -4.45 -4.90 -1.70 5.15 -1.01 -5.01 115.26 102.49 2kh2 n ASN 129 Ca 0.07 -0.04 -0.33 0.00 -0.60 0.00 0.00 54.58 53.68 2kh2 n ASN 129 Cb 0.54 -3.57 -0.05 0.00 -0.53 0.00 0.00 39.78 36.18 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 -4.80 3.48 0.92 1.20 -1.94 -1.20 -4.85 119.30 112.11 2kh2 s MET 130 Ca 0.03 -0.27 -0.12 0.00 -1.71 0.00 0.00 55.69 53.62 2kh2 s MET 130 Cb -0.01 -3.07 0.14 0.00 2.01 0.00 0.00 34.83 33.90 2kh2 s MET 130 CO 0.03 0.65 1.13 -1.25 -0.01 0.00 0.00 175.02 175.57 2kh2 s PRO 131 N -2.01 1.08 -0.10 2.03 0.04 -1.26 -0.29 135.00 134.49 2kh2 s PRO 131 Ca 0.29 0.33 -0.13 0.00 0.04 0.00 0.00 61.00 61.53 2kh2 s PRO 131 Cb -0.13 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 2kh2 s PRO 131 CO 0.20 -2.25 0.31 0.08 0.04 0.00 0.00 177.00 175.38 2kh2 s VAL 132 N -3.23 5.25 0.23 -0.36 1.01 -0.78 -4.58 120.40 117.95 2kh2 s VAL 132 Ca 0.64 0.59 0.01 0.00 0.00 0.00 0.00 61.98 63.22 2kh2 s VAL 132 Cb -0.15 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2kh2 s VAL 132 CO 0.54 0.49 0.18 0.72 0.00 0.00 0.00 175.10 177.03 2kh2 s PHE 133 N -0.29 1.27 -0.26 5.22 -0.71 -1.03 -4.82 117.98 117.36 2kh2 s PHE 133 Ca 0.19 -1.43 -0.14 0.00 -1.04 0.00 0.00 56.93 54.51 2kh2 s PHE 133 Cb -0.14 -0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 41.07 2kh2 s PHE 133 CO 0.07 -0.71 0.34 -1.17 -1.34 0.00 0.00 175.22 172.41 2kh2 s LEU 134 N -3.21 4.06 0.06 -1.99 2.96 -1.26 -0.57 118.68 118.73 2kh2 s LEU 134 Ca 0.39 0.29 0.07 0.00 -0.22 0.00 0.00 54.13 54.66 2kh2 s LEU 134 Cb 0.06 -2.39 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 2kh2 s LEU 134 CO 0.16 -0.13 -0.17 -0.83 -1.32 0.00 0.00 176.35 174.05 2kh2 s GLY 135 N 1.50 1.62 0.00 7.98 0.00 0.55 -4.88 107.32 114.08 2kh2 s GLY 135 Ca 0.14 -1.23 0.11 0.00 0.00 0.00 0.00 44.72 43.75 2kh2 s GLY 135 CO 0.09 -1.14 1.26 0.61 0.00 0.00 0.00 173.10 173.92 2kh2 n GLY 136 N 1.33 2.69 2.77 0.20 0.00 -1.26 -0.62 105.19 110.29 2kh2 n GLY 136 Ca -0.16 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 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 0.57 3.79 -2.14 2.61 -2.24 -1.26 -4.92 114.28 110.69 2kh2 n THR 137 Ca 0.12 -5.53 -0.42 0.00 -2.27 0.00 0.00 64.05 55.95 2kh2 n THR 137 Cb 0.43 -2.13 -0.03 0.00 -2.10 0.00 0.00 70.33 66.51 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 -2.48 4.27 0.00 -0.78 2.20 -1.26 -2.58 119.74 119.11 2kh2 s LYS 138 Ca 0.34 2.08 0.00 0.00 -0.36 0.00 0.00 55.97 58.04 2kh2 s LYS 138 Cb 0.08 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 2kh2 s LYS 138 CO 0.03 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 174.85 2kh2 n GLY 139 N 3.68 0.82 0.00 5.54 0.00 -1.26 -5.06 105.19 108.91 2kh2 n GLY 139 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.33 1.22 0.11 -0.02 0.00 -1.07 -5.02 105.19 98.09 2kh2 n GLY 140 Ca 0.00 -0.89 -0.16 0.00 0.00 0.00 0.00 46.02 44.97 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 0.21 -6.64 1.61 7.50 -1.97 -3.46 115.11 112.35 2kh2 h GLN 141 Ca 0.00 -0.36 -0.51 0.00 0.50 0.00 0.00 58.65 58.28 2kh2 h GLN 141 Cb 0.00 0.13 -0.02 0.00 0.05 0.00 0.00 27.48 27.65 2kh2 h GLN 141 CO 0.00 1.03 0.37 -0.51 -1.50 0.00 0.00 178.83 178.22 2kh2 s ASP 142 N -6.84 7.52 -0.15 1.46 1.01 -1.26 -4.54 116.67 113.87 2kh2 s ASP 142 Ca -0.11 1.88 -0.29 0.00 0.71 0.00 0.00 52.55 54.74 2kh2 s ASP 142 Cb 0.07 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 2kh2 s ASP 142 CO 0.83 -0.00 1.22 -0.63 0.21 0.00 0.00 175.17 176.79 2kh2 s ILE 143 N -0.45 4.34 -0.29 0.77 1.09 0.85 -4.65 121.20 122.86 2kh2 s ILE 143 Ca 0.45 1.63 0.16 0.00 -1.10 0.00 0.00 60.65 61.79 2kh2 s ILE 143 Cb -0.25 -4.05 -0.22 0.00 -1.06 0.00 0.00 42.46 36.88 2kh2 s ILE 143 CO 0.31 -0.11 0.47 0.35 -0.10 0.00 0.00 174.94 175.87 2kh2 n THR 144 N 5.19 0.00 -3.66 2.92 -2.24 -1.26 -0.92 114.28 114.31 2kh2 n THR 144 Ca 0.13 -0.28 -0.32 0.00 -2.27 0.00 0.00 64.05 61.31 2kh2 n THR 144 Cb 0.45 0.44 -0.05 0.00 -2.10 0.00 0.00 70.33 69.08 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 -3.38 6.51 0.18 3.42 -4.77 -1.26 -4.09 116.67 113.28 2kh2 s ASP 145 Ca -0.02 0.62 0.02 0.00 -3.30 0.00 0.00 52.55 49.87 2kh2 s ASP 145 Cb 0.11 -2.10 -0.05 0.00 -1.09 0.00 0.00 42.92 39.79 2kh2 s ASP 145 CO 0.67 0.07 -0.00 -0.36 0.70 0.00 0.00 175.17 176.25 2kh2 s PHE 146 N -1.62 1.25 -0.06 2.11 0.08 0.81 -4.23 117.98 116.31 2kh2 s PHE 146 Ca 0.40 -1.00 -0.01 0.00 0.12 0.00 0.00 56.93 56.44 2kh2 s PHE 146 Cb -0.12 -0.71 -0.03 0.00 -0.57 0.00 0.00 43.02 41.58 2kh2 s PHE 146 CO 0.23 -0.19 0.01 0.95 -0.10 0.00 0.00 175.22 176.13 2kh2 s THR 147 N -3.63 4.32 -0.37 0.64 -4.23 0.82 -1.06 115.64 112.13 2kh2 s THR 147 Ca 0.24 -0.33 -0.14 0.00 -1.18 0.00 0.00 61.69 60.28 2kh2 s THR 147 Cb 0.06 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 71.05 2kh2 s THR 147 CO 0.04 0.54 0.26 -0.32 -0.54 0.00 0.00 174.62 174.60 2kh2 s MET 148 N -1.10 3.23 -0.23 3.99 1.75 -1.26 -3.24 119.30 122.43 2kh2 s MET 148 Ca 0.15 -0.83 0.02 0.00 -1.25 0.00 0.00 55.69 53.78 2kh2 s MET 148 Cb -0.11 -3.88 0.05 0.00 2.84 0.00 0.00 34.83 33.73 2kh2 s MET 148 CO 0.05 -0.59 -0.14 -0.65 -0.65 0.00 0.00 175.02 173.04 2kh2 s GLN 149 N 1.69 2.47 0.22 4.11 1.11 -1.06 -5.01 119.66 123.20 2kh2 s GLN 149 Ca 0.05 -1.17 -0.30 0.00 0.01 0.00 0.00 55.36 53.96 2kh2 s GLN 149 Cb -0.18 -2.78 -0.09 0.00 -1.01 0.00 0.00 33.01 28.96 2kh2 s GLN 149 CO 0.10 -0.45 0.93 0.12 0.01 0.00 0.00 175.29 176.00 2kh2 s PHE 150 N 1.17 3.97 0.41 0.91 2.19 -1.26 -0.31 117.98 125.06 2kh2 s PHE 150 Ca -0.04 1.89 0.07 0.00 0.33 0.00 0.00 56.93 59.17 2kh2 s PHE 150 Cb -0.18 -2.97 -0.07 0.00 -1.31 0.00 0.00 43.02 38.49 2kh2 s PHE 150 CO -0.08 0.44 0.04 0.14 1.83 0.00 0.00 175.22 177.59 2kh2 s VAL 151 N -1.07 2.02 -0.26 3.12 -7.23 -1.22 -4.92 120.40 110.84 2kh2 s VAL 151 Ca 0.41 -1.95 -0.04 0.00 -1.81 0.00 0.00 61.98 58.59 2kh2 s VAL 151 Cb -0.26 -2.97 -0.01 0.00 0.56 0.00 0.00 36.38 33.70 2kh2 s VAL 151 CO 0.31 0.00 2.82 -1.20 -0.31 0.00 0.00 175.10 176.72 2kh2 n SER 152 N -1.02 6.01 0.00 4.85 7.64 -1.26 -4.85 113.62 124.99 2kh2 n SER 152 Ca -0.05 -2.90 0.00 0.00 1.01 0.00 0.00 58.87 56.93 2kh2 n SER 152 Cb 0.67 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83