#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 0.49 -4.73 0.00 0.11 -2.06 -3.42 132.00 122.39 2kh2 h PRO 2 Ca 0.00 -0.18 -0.57 0.00 0.11 0.00 0.00 66.00 65.36 2kh2 h PRO 2 Cb 0.00 -0.03 -0.34 0.00 0.11 0.00 0.00 31.00 30.74 2kh2 h PRO 2 CO 0.00 0.70 -0.83 0.54 -0.21 0.00 0.00 178.00 178.19 2kh2 s VAL 3 N -4.52 1.42 0.18 3.15 0.11 -1.26 -5.07 120.40 114.42 2kh2 s VAL 3 Ca -0.07 -0.62 -0.18 0.00 -2.93 0.00 0.00 61.98 58.18 2kh2 s VAL 3 Cb 0.14 -1.29 -0.08 0.00 -1.53 0.00 0.00 36.38 33.62 2kh2 s VAL 3 CO 0.79 0.42 0.65 -0.13 -3.33 0.00 0.00 175.10 173.50 2kh2 s ARG 4 N 0.81 4.16 -0.12 1.54 0.52 -1.26 -4.97 118.95 119.62 2kh2 s ARG 4 Ca -0.11 0.73 -0.09 0.00 -0.52 0.00 0.00 55.73 55.74 2kh2 s ARG 4 Cb -0.16 -2.93 0.04 0.00 0.52 0.00 0.00 34.95 32.42 2kh2 s ARG 4 CO 0.02 0.45 0.31 -1.12 0.02 0.00 0.00 175.30 174.97 2kh2 s SER 5 N -1.62 -0.34 0.34 0.23 0.01 -1.26 -2.41 113.70 108.64 2kh2 s SER 5 Ca 0.40 0.64 0.08 0.00 1.31 0.00 0.00 55.95 58.38 2kh2 s SER 5 Cb -0.16 0.59 -0.07 0.00 0.21 0.00 0.00 66.02 66.59 2kh2 s SER 5 CO 0.20 -0.14 -0.05 -1.48 0.41 0.00 0.00 173.24 172.18 2kh2 s LEU 6 N 0.71 2.65 -0.16 2.44 0.05 -0.82 -4.92 118.68 118.65 2kh2 s LEU 6 Ca -0.05 -1.25 -0.01 0.00 0.05 0.00 0.00 54.13 52.88 2kh2 s LEU 6 Cb -0.06 -0.84 -0.01 0.00 -2.05 0.00 0.00 46.19 43.24 2kh2 s LEU 6 CO -0.05 -0.32 -0.11 0.20 -0.55 0.00 0.00 176.35 175.52 2kh2 s ASN 7 N -3.58 4.01 0.19 1.48 0.01 -1.26 -0.37 114.94 115.42 2kh2 s ASN 7 Ca 0.33 -0.38 -0.05 0.00 -0.71 0.00 0.00 52.86 52.04 2kh2 s ASN 7 Cb 0.05 -1.64 -0.02 0.00 0.41 0.00 0.00 41.25 40.05 2kh2 s ASN 7 CO 0.16 0.10 0.23 0.00 -1.51 0.00 0.00 177.10 176.07 2kh2 s THR 9 N -4.06 2.01 -0.18 0.00 -4.23 0.94 -1.33 115.64 108.78 2kh2 s THR 9 Ca 0.27 -0.99 -0.14 0.00 -1.18 0.00 0.00 61.69 59.65 2kh2 s THR 9 Cb 0.05 -1.73 -0.04 0.00 1.34 0.00 0.00 72.50 72.11 2kh2 s THR 9 CO 0.07 0.55 0.32 -0.76 -0.54 0.00 0.00 174.62 174.25 2kh2 s LEU 10 N 0.31 4.21 -0.01 4.79 1.43 -1.26 -2.22 118.68 125.93 2kh2 s LEU 10 Ca -0.17 0.48 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 2kh2 s LEU 10 Cb -0.17 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.65 2kh2 s LEU 10 CO 0.08 0.04 -0.06 -0.13 0.23 0.00 0.00 176.35 176.52 2kh2 s ARG 11 N 0.77 0.55 1.03 1.70 0.52 -1.25 -3.67 118.95 118.59 2kh2 s ARG 11 Ca 0.17 -0.19 -0.17 0.00 -0.52 0.00 0.00 55.73 55.02 2kh2 s ARG 11 Cb -0.14 -0.54 0.23 0.00 0.52 0.00 0.00 34.95 35.02 2kh2 s ARG 11 CO 0.05 0.09 1.27 0.16 0.02 0.00 0.00 175.30 176.89 2kh2 s ASP 12 N 0.08 2.49 0.00 0.23 1.47 -0.78 -0.47 116.67 119.69 2kh2 s ASP 12 Ca -0.01 0.36 0.07 0.00 1.18 0.00 0.00 52.55 54.15 2kh2 s ASP 12 Cb -0.05 -0.45 0.33 0.00 -0.34 0.00 0.00 42.92 42.41 2kh2 s ASP 12 CO -0.00 -3.13 1.15 -1.54 0.68 0.00 0.00 175.17 172.33 2kh2 n SER 13 N -4.05 0.00 -0.87 2.11 3.41 -1.24 -1.21 113.62 111.77 2kh2 n SER 13 Ca 0.15 0.33 0.08 0.00 -0.26 0.00 0.00 58.87 59.17 2kh2 n SER 13 Cb 0.59 -0.39 0.19 0.00 -0.26 0.00 0.00 64.21 64.35 2kh2 n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kh2 n GLN 14 N -1.39 2.52 -1.39 4.33 1.13 -1.26 -4.95 117.38 116.37 2kh2 n GLN 14 Ca 0.03 -2.14 -0.09 0.00 -1.94 0.00 0.00 57.00 52.86 2kh2 n GLN 14 Cb 0.07 -1.37 -0.03 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 -0.61 -2.99 -1.09 1.13 -0.35 -5.00 117.38 109.43 2kh2 n GLN 15 Ca 0.15 0.74 -0.35 0.00 -1.94 0.00 0.00 57.00 55.60 2kh2 n GLN 15 Cb 0.48 -4.62 -0.06 0.00 0.11 0.00 0.00 30.24 26.15 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 -2.99 4.29 0.18 -1.09 1.02 -1.26 -4.32 119.74 115.58 2kh2 s LYS 16 Ca 0.00 0.98 0.09 0.00 0.02 0.00 0.00 55.97 57.06 2kh2 s LYS 16 Cb 0.00 -2.68 -0.04 0.00 -0.52 0.00 0.00 37.83 34.58 2kh2 s LYS 16 CO 0.00 0.27 -0.10 -1.12 -0.92 0.00 0.00 175.35 173.48 2kh2 s SER 17 N -1.83 4.23 -0.14 2.83 0.01 0.62 -1.86 113.70 117.56 2kh2 s SER 17 Ca 0.49 -0.59 -0.22 0.00 1.31 0.00 0.00 55.95 56.94 2kh2 s SER 17 Cb -0.15 -0.70 -0.03 0.00 0.21 0.00 0.00 66.02 65.35 2kh2 s SER 17 CO 0.20 0.10 0.68 -0.76 0.41 0.00 0.00 173.24 173.87 2kh2 s LEU 18 N -2.84 4.23 0.08 2.44 1.43 -1.24 -1.87 118.68 120.91 2kh2 s LEU 18 Ca 0.25 1.03 0.07 0.00 -1.03 0.00 0.00 54.13 54.45 2kh2 s LEU 18 Cb -0.09 -3.01 -0.03 0.00 0.03 0.00 0.00 46.19 43.09 2kh2 s LEU 18 CO 0.15 -0.21 -0.18 0.68 0.23 0.00 0.00 176.35 177.02 2kh2 s VAL 19 N 1.42 1.47 -0.36 -1.59 -7.23 0.86 -2.66 120.40 112.32 2kh2 s VAL 19 Ca 0.34 -1.40 -0.29 0.00 -1.81 0.00 0.00 61.98 58.82 2kh2 s VAL 19 Cb -0.17 -1.35 0.02 0.00 0.56 0.00 0.00 36.38 35.44 2kh2 s VAL 19 CO 0.14 -0.08 1.09 -0.04 -0.31 0.00 0.00 175.10 175.89 2kh2 s MET 20 N -1.73 3.98 0.00 4.82 -1.94 -1.26 -0.39 119.30 122.78 2kh2 s MET 20 Ca 0.03 0.94 0.00 0.00 -1.71 0.00 0.00 55.69 54.95 2kh2 s MET 20 Cb -0.10 -3.78 0.00 0.00 2.01 0.00 0.00 34.83 32.96 2kh2 s MET 20 CO 0.03 -1.03 0.07 0.45 -0.01 0.00 0.00 175.02 174.53 2kh2 n SER 21 N 7.12 0.00 -2.02 3.03 2.88 0.52 -4.93 113.62 120.22 2kh2 n SER 21 Ca 0.12 0.23 -0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2kh2 n SER 21 Cb 0.48 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 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 2.02 2.97 0.25 0.46 0.00 -1.16 -4.94 105.19 104.79 2kh2 n GLY 22 Ca 0.00 -2.17 0.08 0.00 0.00 0.00 0.00 46.02 43.93 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 -3.02 132.00 128.44 2kh2 h PRO 23 Ca -0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.91 2kh2 h PRO 23 Cb 0.01 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 30.85 2kh2 h PRO 23 CO 0.00 0.08 -0.86 0.66 -0.23 0.00 0.00 178.00 177.65 2kh2 n TYR 24 N -4.35 0.84 -3.98 1.56 4.01 -1.26 -4.99 117.16 108.99 2kh2 n TYR 24 Ca -0.03 -1.49 -0.14 0.00 -0.16 0.00 0.00 57.90 56.09 2kh2 n TYR 24 Cb 0.16 -0.23 -0.14 0.00 -0.31 0.00 0.00 39.34 38.81 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 -2.46 0.19 -0.01 -0.72 2.12 -1.14 -4.33 118.70 112.34 2kh2 s GLU 25 Ca 0.37 -0.06 0.07 0.00 0.36 0.00 0.00 54.97 55.72 2kh2 s GLU 25 Cb 0.37 -0.21 -0.02 0.00 0.26 0.00 0.00 34.13 34.54 2kh2 s GLU 25 CO -0.07 0.02 -0.23 -0.51 -0.54 0.00 0.00 175.26 173.93 2kh2 s LEU 26 N 0.09 2.07 0.14 2.70 1.43 -1.26 -0.35 118.68 123.50 2kh2 s LEU 26 Ca -0.01 -0.44 0.06 0.00 -1.03 0.00 0.00 54.13 52.71 2kh2 s LEU 26 Cb -0.03 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 2kh2 s LEU 26 CO -0.00 0.27 -0.13 -0.54 0.23 0.00 0.00 176.35 176.18 2kh2 s LYS 27 N -0.66 1.09 -0.14 1.70 1.02 0.48 -1.28 119.74 121.95 2kh2 s LYS 27 Ca 0.09 -1.36 0.02 0.00 0.02 0.00 0.00 55.97 54.74 2kh2 s LYS 27 Cb -0.09 -0.87 0.01 0.00 -0.52 0.00 0.00 37.83 36.37 2kh2 s LYS 27 CO -0.00 0.15 -0.20 0.00 -0.92 0.00 0.00 175.35 174.38 2kh2 s ALA 28 N -2.63 2.10 0.24 5.17 0.00 0.99 -0.10 121.76 127.53 2kh2 s ALA 28 Ca 0.14 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 50.97 2kh2 s ALA 28 Cb -0.02 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 2kh2 s ALA 28 CO 0.03 -0.10 0.43 -0.48 0.00 0.00 0.00 175.76 175.64 2kh2 s LEU 29 N 0.95 0.45 -0.11 0.00 0.05 -0.78 -3.35 118.68 115.90 2kh2 s LEU 29 Ca -0.05 -0.97 -0.29 0.00 0.05 0.00 0.00 54.13 52.86 2kh2 s LEU 29 Cb -0.15 1.57 -0.03 0.00 -2.05 0.00 0.00 46.19 45.53 2kh2 s LEU 29 CO -0.04 -1.09 1.43 -1.00 -0.55 0.00 0.00 176.35 175.11 2kh2 s HIS 30 N -4.03 2.49 -0.26 3.48 3.76 -1.26 -0.28 115.29 119.19 2kh2 s HIS 30 Ca 0.24 0.66 0.02 0.00 -0.15 0.00 0.00 55.06 55.83 2kh2 s HIS 30 Cb 0.00 -3.68 0.07 0.00 1.11 0.00 0.00 32.58 30.08 2kh2 s HIS 30 CO 0.09 -2.63 -0.04 -1.17 -0.85 0.00 0.00 174.74 170.14 2kh2 s LEU 31 N 3.64 3.08 0.00 0.89 2.96 -1.26 -4.93 118.68 123.06 2kh2 s LEU 31 Ca 0.63 -1.40 0.00 0.00 -0.22 0.00 0.00 54.13 53.14 2kh2 s LEU 31 Cb -0.27 -1.32 0.00 0.00 0.50 0.00 0.00 46.19 45.10 2kh2 s LEU 31 CO 0.21 -0.25 0.00 0.00 -1.32 0.00 0.00 176.35 174.99 2kh2 n GLN 32 N 4.56 0.11 0.00 1.98 6.02 -1.26 -4.74 117.38 124.05 2kh2 n GLN 32 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 2kh2 n GLN 32 Cb 0.43 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.69 2kh2 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kh2 n GLY 33 N 0.13 3.15 1.53 1.08 0.00 -1.26 -2.22 105.19 107.60 2kh2 n GLY 33 Ca 0.00 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 45.80 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 4.10 -0.11 1.61 -0.06 -1.26 -4.19 117.38 131.48 2kh2 n GLN 34 Ca 0.00 -2.99 0.08 0.00 -2.00 0.00 0.00 57.00 52.09 2kh2 n GLN 34 Cb 0.00 -2.05 0.13 0.00 -4.06 0.00 0.00 30.24 24.26 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 0.42 2.77 0.22 1.69 10.43 -0.94 -4.50 116.55 126.64 2kh2 n ASP 35 Ca 0.25 -1.81 0.06 0.00 2.57 0.00 0.00 54.79 55.86 2kh2 n ASP 35 Cb 1.04 -0.14 0.54 0.00 1.84 0.00 0.00 41.12 44.40 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 -1.07 0.00 0.00 177.20 176.10 2kh2 h MET 36 N 3.12 0.03 0.00 -1.24 4.05 -1.72 -2.27 114.93 116.91 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 0.75 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.54 2kh2 h MET 36 CO 0.00 0.14 0.00 0.39 0.23 0.00 0.00 176.91 177.67 2kh2 n GLU 37 N -4.40 0.39 -0.01 0.39 -0.58 -1.26 -1.96 120.64 113.21 2kh2 n GLU 37 Ca -0.02 0.01 0.14 0.00 -0.42 0.00 0.00 57.16 56.87 2kh2 n GLU 37 Cb 0.19 -1.50 0.60 0.00 -0.57 0.00 0.00 31.44 30.16 2kh2 n GLU 37 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2kh2 n GLN 38 N -1.02 1.52 -2.04 3.49 6.02 -0.85 -4.92 117.38 119.59 2kh2 n GLN 38 Ca 0.09 -0.76 -0.38 0.00 -0.01 0.00 0.00 57.00 55.94 2kh2 n GLN 38 Cb 0.05 -1.47 0.01 0.00 1.02 0.00 0.00 30.24 29.84 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 -1.99 3.56 0.01 -1.09 0.00 -0.83 -4.80 119.66 114.53 2kh2 s GLN 39 Ca 0.39 2.03 -0.17 0.00 -0.00 0.00 0.00 55.36 57.61 2kh2 s GLN 39 Cb 0.21 -2.42 -0.06 0.00 0.00 0.00 0.00 33.01 30.74 2kh2 s GLN 39 CO 0.33 -0.79 0.49 0.08 0.00 0.00 0.00 175.29 175.40 2kh2 s VAL 40 N -1.40 4.94 -0.17 3.63 1.01 -1.09 -5.06 120.40 122.26 2kh2 s VAL 40 Ca 0.65 1.01 -0.07 0.00 0.00 0.00 0.00 61.98 63.58 2kh2 s VAL 40 Cb -0.35 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2kh2 s VAL 40 CO 0.42 0.53 0.06 -0.69 0.00 0.00 0.00 175.10 175.42 2kh2 s VAL 41 N -0.80 4.77 -0.11 2.92 1.01 -1.26 -4.65 120.40 122.27 2kh2 s VAL 41 Ca 0.26 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.18 2kh2 s VAL 41 Cb -0.18 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 2kh2 s VAL 41 CO 0.15 0.48 -0.04 -0.36 0.00 0.00 0.00 175.10 175.33 2kh2 s PHE 42 N 0.18 3.02 -0.17 5.22 0.08 -0.44 -1.26 117.98 124.61 2kh2 s PHE 42 Ca 0.04 -0.09 -0.17 0.00 0.12 0.00 0.00 56.93 56.84 2kh2 s PHE 42 Cb -0.12 -1.83 -0.04 0.00 -0.57 0.00 0.00 43.02 40.46 2kh2 s PHE 42 CO 0.01 0.20 0.44 -1.12 -0.10 0.00 0.00 175.22 174.64 2kh2 s SER 43 N -0.32 6.55 -0.35 1.36 0.01 0.38 -1.75 113.70 119.58 2kh2 s SER 43 Ca 0.05 0.65 -0.11 0.00 1.31 0.00 0.00 55.95 57.85 2kh2 s SER 43 Cb -0.12 -2.26 0.01 0.00 0.21 0.00 0.00 66.02 63.86 2kh2 s SER 43 CO 0.02 -0.05 0.20 -0.04 0.41 0.00 0.00 173.24 173.78 2kh2 s MET 44 N 1.02 3.10 -0.12 12.44 -1.94 0.50 -2.78 119.30 131.52 2kh2 s MET 44 Ca 0.22 -0.89 -0.06 0.00 -1.71 0.00 0.00 55.69 53.25 2kh2 s MET 44 Cb -0.15 -3.70 -0.04 0.00 2.01 0.00 0.00 34.83 32.95 2kh2 s MET 44 CO 0.09 -0.57 0.11 -1.12 -0.01 0.00 0.00 175.02 173.52 2kh2 s SER 45 N 1.61 6.15 -0.66 3.03 0.01 -1.15 -1.94 113.70 120.75 2kh2 s SER 45 Ca 0.04 0.38 -0.24 0.00 1.31 0.00 0.00 55.95 57.44 2kh2 s SER 45 Cb -0.18 -1.97 0.06 0.00 0.21 0.00 0.00 66.02 64.13 2kh2 s SER 45 CO 0.07 0.37 1.03 -0.36 0.41 0.00 0.00 173.24 174.77 2kh2 s PHE 46 N -0.82 2.60 0.67 2.43 0.08 -1.01 -0.73 117.98 121.19 2kh2 s PHE 46 Ca 0.14 -0.35 -0.11 0.00 0.12 0.00 0.00 56.93 56.72 2kh2 s PHE 46 Cb -0.12 -4.34 -0.01 0.00 -0.57 0.00 0.00 43.02 37.98 2kh2 s PHE 46 CO 0.03 -1.70 1.06 0.14 -0.10 0.00 0.00 175.22 174.65 2kh2 s VAL 47 N 4.43 4.10 -0.62 -0.44 -7.23 -1.15 -4.78 120.40 114.72 2kh2 s VAL 47 Ca 0.26 0.68 -0.21 0.00 -1.81 0.00 0.00 61.98 60.90 2kh2 s VAL 47 Cb -0.14 -3.64 0.08 0.00 0.56 0.00 0.00 36.38 33.24 2kh2 s VAL 47 CO 0.13 -0.89 0.87 -1.58 -0.31 0.00 0.00 175.10 173.31 2kh2 s GLN 48 N -5.23 3.11 0.00 4.82 2.00 -0.96 -4.85 119.66 118.56 2kh2 s GLN 48 Ca 0.57 -0.92 0.00 0.00 -2.00 0.00 0.00 55.36 53.01 2kh2 s GLN 48 Cb -0.11 -4.21 0.00 0.00 0.80 0.00 0.00 33.01 29.48 2kh2 s GLN 48 CO 0.53 -1.67 0.00 0.41 -0.50 0.00 0.00 175.29 174.06 2kh2 n GLY 49 N 5.29 3.64 3.36 2.59 0.00 -1.26 -4.96 105.19 113.84 2kh2 n GLY 49 Ca -0.05 -0.21 -0.45 0.00 0.00 0.00 0.00 46.02 45.31 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 3.80 4.03 -0.82 1.61 2.56 -1.26 -4.98 118.70 123.63 2kh2 s GLU 50 Ca 0.00 -2.91 -0.19 0.00 0.00 0.00 0.00 54.97 51.86 2kh2 s GLU 50 Cb 0.00 -4.60 0.12 0.00 2.00 0.00 0.00 34.13 31.65 2kh2 s GLU 50 CO 0.00 -1.33 1.02 -2.00 -0.56 0.00 0.00 175.26 172.39 2kh2 s GLU 51 N -0.46 3.42 0.00 4.30 2.12 -1.26 -4.34 118.70 122.48 2kh2 s GLU 51 Ca 0.29 -1.54 0.00 0.00 0.36 0.00 0.00 54.97 54.08 2kh2 s GLU 51 Cb -0.09 -4.66 0.00 0.00 0.26 0.00 0.00 34.13 29.64 2kh2 s GLU 51 CO -0.07 -1.73 0.00 -1.13 -0.54 0.00 0.00 175.26 171.79 2kh2 n SER 52 N 6.63 0.00 -0.08 -1.70 3.41 -1.13 -5.05 113.62 115.70 2kh2 n SER 52 Ca 0.13 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.66 2kh2 n SER 52 Cb 0.47 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.31 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 0.00 1.37 -0.10 4.04 5.03 -1.26 -4.76 115.26 119.58 2kh2 n ASN 53 Ca 0.00 -0.01 -0.18 0.00 0.87 0.00 0.00 54.58 55.26 2kh2 n ASN 53 Cb 0.00 0.72 -0.07 0.00 -1.02 0.00 0.00 39.78 39.40 2kh2 n ASN 53 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 2kh2 n ASP 54 N -2.64 1.89 -4.44 6.41 5.75 -1.26 -4.84 116.55 117.42 2kh2 n ASP 54 Ca -0.26 0.43 -0.44 0.00 -0.01 0.00 0.00 54.79 54.51 2kh2 n ASP 54 Cb 0.98 -0.86 -0.08 0.00 -1.03 0.00 0.00 41.12 40.13 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 -2.48 3.06 -0.29 0.11 1.02 -1.26 -2.49 119.74 117.41 2kh2 s LYS 55 Ca -0.29 -1.00 -0.08 0.00 0.02 0.00 0.00 55.97 54.62 2kh2 s LYS 55 Cb 0.07 -4.06 -0.01 0.00 -0.52 0.00 0.00 37.83 33.32 2kh2 s LYS 55 CO 0.45 -1.01 0.11 0.42 -0.92 0.00 0.00 175.35 174.40 2kh2 s ILE 56 N 2.10 4.36 -0.24 2.17 -1.09 -0.04 -2.85 121.20 125.61 2kh2 s ILE 56 Ca 0.10 -0.44 -0.29 0.00 -2.23 0.00 0.00 60.65 57.79 2kh2 s ILE 56 Cb -0.20 -3.19 -0.01 0.00 -1.58 0.00 0.00 42.46 37.48 2kh2 s ILE 56 CO 0.11 0.13 1.43 -2.16 -1.23 0.00 0.00 174.94 173.23 2kh2 s PRO 57 N 1.58 3.92 0.09 2.79 0.04 -1.26 -0.19 135.00 141.98 2kh2 s PRO 57 Ca 0.04 1.49 0.01 0.00 0.04 0.00 0.00 61.00 62.59 2kh2 s PRO 57 Cb -0.17 -3.93 -0.04 0.00 0.04 0.00 0.00 34.50 30.40 2kh2 s PRO 57 CO 0.05 -1.13 -0.06 0.14 0.04 0.00 0.00 177.00 176.04 2kh2 s VAL 58 N 4.58 0.61 0.09 -0.36 -7.23 0.39 -2.92 120.40 115.57 2kh2 s VAL 58 Ca 0.63 -1.92 0.01 0.00 -1.81 0.00 0.00 61.98 58.89 2kh2 s VAL 58 Cb -0.21 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 2kh2 s VAL 58 CO 0.25 -0.87 0.20 0.00 -0.31 0.00 0.00 175.10 174.37 2kh2 s ALA 59 N -3.68 3.92 -0.26 1.32 0.00 0.09 -0.37 121.76 122.78 2kh2 s ALA 59 Ca 0.12 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.16 2kh2 s ALA 59 Cb 0.06 -1.74 0.07 0.00 0.00 0.00 0.00 23.12 21.51 2kh2 s ALA 59 CO -0.05 0.74 -0.03 -0.51 0.00 0.00 0.00 175.76 175.91 2kh2 s LEU 60 N -2.68 2.88 0.14 0.00 1.43 -1.26 -2.93 118.68 116.27 2kh2 s LEU 60 Ca 0.34 -1.36 0.04 0.00 -1.03 0.00 0.00 54.13 52.13 2kh2 s LEU 60 Cb -0.12 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 2kh2 s LEU 60 CO 0.27 -0.27 -0.10 -0.83 0.23 0.00 0.00 176.35 175.65 2kh2 s GLY 61 N 1.33 1.04 0.16 -3.19 0.00 -1.12 -0.88 107.32 104.66 2kh2 s GLY 61 Ca -0.03 -1.45 -0.30 0.00 0.00 0.00 0.00 44.72 42.94 2kh2 s GLY 61 CO -0.08 -1.55 1.14 1.08 0.00 0.00 0.00 173.10 173.69 2kh2 s LEU 62 N -3.06 4.46 -0.04 0.66 1.02 -0.03 -0.47 118.68 121.22 2kh2 s LEU 62 Ca 0.15 2.11 -0.36 0.00 0.02 0.00 0.00 54.13 56.05 2kh2 s LEU 62 Cb 0.02 -3.60 -0.14 0.00 0.02 0.00 0.00 46.19 42.48 2kh2 s LEU 62 CO 0.01 -0.30 1.65 1.17 0.02 0.00 0.00 176.35 178.89 2kh2 n LYS 63 N 2.66 1.67 -1.78 1.70 4.81 -0.39 -1.47 118.16 125.36 2kh2 n LYS 63 Ca 0.04 0.61 -0.13 0.00 -0.87 0.00 0.00 58.31 57.96 2kh2 n LYS 63 Cb 0.46 -2.35 -0.04 0.00 0.02 0.00 0.00 35.03 33.13 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 4.57 -1.64 -4.31 1.64 0.00 -1.26 -4.94 120.64 114.70 2kh2 n GLU 64 Ca 0.21 0.69 -0.24 0.00 0.00 0.00 0.00 57.16 57.82 2kh2 n GLU 64 Cb 0.23 -5.06 -0.13 0.00 0.00 0.00 0.00 31.44 26.48 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 -3.82 1.12 -0.13 3.44 1.02 -0.54 -5.02 119.74 115.81 2kh2 s LYS 65 Ca 0.00 -1.12 0.02 0.00 0.02 0.00 0.00 55.97 54.89 2kh2 s LYS 65 Cb 0.00 -1.35 0.20 0.00 -0.52 0.00 0.00 37.83 36.16 2kh2 s LYS 65 CO 0.00 0.32 1.23 0.27 -0.92 0.00 0.00 175.35 176.24 2kh2 n ASN 66 N 1.18 3.13 -4.32 2.83 0.23 -1.26 -4.41 115.26 112.64 2kh2 n ASN 66 Ca -0.19 -2.45 -0.35 0.00 -0.53 0.00 0.00 54.58 51.05 2kh2 n ASN 66 Cb 0.54 -0.60 -0.14 0.00 -2.08 0.00 0.00 39.78 37.50 2kh2 n ASN 66 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2kh2 s LEU 67 N -0.96 2.92 0.14 -4.53 1.43 -1.26 -2.21 118.68 114.20 2kh2 s LEU 67 Ca 0.17 -0.37 0.10 0.00 -1.03 0.00 0.00 54.13 53.00 2kh2 s LEU 67 Cb 0.14 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 2kh2 s LEU 67 CO 0.03 -0.01 -0.24 -0.31 0.23 0.00 0.00 176.35 176.06 2kh2 s TYR 68 N 1.39 2.14 -0.15 0.29 1.51 -0.54 -0.85 117.35 121.14 2kh2 s TYR 68 Ca 0.05 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.42 2kh2 s TYR 68 Cb -0.14 -1.13 -0.02 0.00 -0.11 0.00 0.00 41.96 40.56 2kh2 s TYR 68 CO -0.02 0.34 1.28 -0.51 -1.11 0.00 0.00 175.55 175.53 2kh2 s LEU 69 N -2.22 4.19 -0.06 -1.29 1.43 -0.06 -0.70 118.68 119.97 2kh2 s LEU 69 Ca 0.14 1.73 0.05 0.00 -1.03 0.00 0.00 54.13 55.01 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 0.07 -0.76 -0.21 -0.55 0.23 0.00 0.00 176.35 175.12 2kh2 s SER 70 N 2.02 3.42 -0.32 2.29 0.15 0.56 -4.50 113.70 117.33 2kh2 s SER 70 Ca 0.56 -0.40 -0.09 0.00 0.70 0.00 0.00 55.95 56.71 2kh2 s SER 70 Cb -0.22 -0.88 0.01 0.00 -1.71 0.00 0.00 66.02 63.22 2kh2 s SER 70 CO 0.16 0.27 0.15 0.00 1.20 0.00 0.00 173.24 175.01 2kh2 s VAL 72 N 1.57 0.45 -0.21 0.00 -7.23 -0.68 -4.70 120.40 109.61 2kh2 s VAL 72 Ca 0.03 -1.94 -0.19 0.00 -1.81 0.00 0.00 61.98 58.08 2kh2 s VAL 72 Cb -0.18 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 2kh2 s VAL 72 CO 0.05 -0.55 0.54 -0.76 -0.31 0.00 0.00 175.10 174.08 2kh2 s LEU 73 N -3.10 4.13 -0.22 1.32 1.43 -1.26 -0.06 118.68 120.92 2kh2 s LEU 73 Ca 0.22 0.69 0.01 0.00 -1.03 0.00 0.00 54.13 54.02 2kh2 s LEU 73 Cb 0.07 -2.74 0.05 0.00 0.03 0.00 0.00 46.19 43.60 2kh2 s LEU 73 CO 0.01 -0.21 -0.08 -0.54 0.23 0.00 0.00 176.35 175.76 2kh2 s LYS 74 N 1.78 1.82 -1.15 1.70 1.02 0.11 -4.78 119.74 120.23 2kh2 s LYS 74 Ca 0.25 -0.95 -0.04 0.00 0.02 0.00 0.00 55.97 55.25 2kh2 s LYS 74 Cb -0.16 -2.53 -0.03 0.00 -0.52 0.00 0.00 37.83 34.60 2kh2 s LYS 74 CO 0.10 -0.52 0.91 -3.47 -0.92 0.00 0.00 175.35 171.45 2kh2 n ASP 75 N 4.66 -3.90 -1.36 2.83 -0.08 -1.26 -2.21 116.55 115.23 2kh2 n ASP 75 Ca -0.13 -0.71 -0.18 0.00 -1.51 0.00 0.00 54.79 52.26 2kh2 n ASP 75 Cb 0.45 -4.89 -0.08 0.00 2.34 0.00 0.00 41.12 38.94 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 -3.13 -5.37 -3.75 1.67 10.43 -1.26 -4.97 116.55 110.18 2kh2 n ASP 76 Ca -0.19 0.44 -0.16 0.00 2.57 0.00 0.00 54.79 57.45 2kh2 n ASP 76 Cb 0.65 -4.43 -0.16 0.00 1.84 0.00 0.00 41.12 39.01 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 -3.50 -0.04 0.09 -1.24 2.47 -0.94 -5.12 119.74 111.46 2kh2 s LYS 77 Ca 0.00 0.24 -0.31 0.00 -1.56 0.00 0.00 55.97 54.34 2kh2 s LYS 77 Cb 0.00 -0.31 -0.08 0.00 -1.46 0.00 0.00 37.83 35.98 2kh2 s LYS 77 CO 0.00 -0.21 1.56 -2.14 0.16 0.00 0.00 175.35 174.72 2kh2 s PRO 78 N 1.34 4.23 0.07 4.03 0.02 -1.26 0.06 135.00 143.50 2kh2 s PRO 78 Ca -0.06 2.25 0.01 0.00 0.02 0.00 0.00 61.00 63.23 2kh2 s PRO 78 Cb -0.13 -3.43 -0.04 0.00 0.02 0.00 0.00 34.50 30.93 2kh2 s PRO 78 CO -0.03 -0.64 -0.06 0.99 -0.33 0.00 0.00 177.00 176.93 2kh2 s THR 79 N 2.00 0.54 0.03 0.99 2.01 0.91 -4.59 115.64 117.54 2kh2 s THR 79 Ca 0.70 -1.62 -0.07 0.00 0.31 0.00 0.00 61.69 61.01 2kh2 s THR 79 Cb -0.39 -1.28 -0.05 0.00 0.01 0.00 0.00 72.50 70.79 2kh2 s THR 79 CO 0.31 -0.74 0.30 -0.22 -0.69 0.00 0.00 174.62 173.58 2kh2 s LEU 80 N -2.54 4.36 0.24 4.42 2.96 -1.26 -1.69 118.68 125.17 2kh2 s LEU 80 Ca 0.04 0.60 -0.13 0.00 -0.22 0.00 0.00 54.13 54.42 2kh2 s LEU 80 Cb 0.01 -2.76 -0.00 0.00 0.50 0.00 0.00 46.19 43.93 2kh2 s LEU 80 CO -0.04 0.23 0.48 0.00 -1.32 0.00 0.00 176.35 175.69 2kh2 s GLN 81 N -1.83 1.51 -0.30 1.98 -2.07 -0.00 -4.95 119.66 114.00 2kh2 s GLN 81 Ca 0.29 -1.21 -0.11 0.00 -1.82 0.00 0.00 55.36 52.51 2kh2 s GLN 81 Cb -0.13 0.47 -0.03 0.00 -1.09 0.00 0.00 33.01 32.23 2kh2 s GLN 81 CO 0.17 -0.63 0.20 -0.51 -1.32 0.00 0.00 175.29 173.20 2kh2 s LEU 82 N -3.00 4.17 -0.17 2.60 2.01 -1.26 -0.32 118.68 122.70 2kh2 s LEU 82 Ca 0.21 -0.23 -0.07 0.00 0.01 0.00 0.00 54.13 54.05 2kh2 s LEU 82 Cb -0.01 -2.10 -0.04 0.00 0.01 0.00 0.00 46.19 44.06 2kh2 s LEU 82 CO 0.07 -0.13 0.04 -0.70 1.01 0.00 0.00 176.35 176.65 2kh2 s GLU 83 N 1.72 3.90 -0.68 1.70 2.12 0.12 -4.90 118.70 122.68 2kh2 s GLU 83 Ca 0.06 -0.37 -0.20 0.00 0.36 0.00 0.00 54.97 54.83 2kh2 s GLU 83 Cb -0.17 -3.15 0.10 0.00 0.26 0.00 0.00 34.13 31.17 2kh2 s GLU 83 CO 0.10 0.29 0.86 -1.12 -0.54 0.00 0.00 175.26 174.84 2kh2 s SER 84 N 0.31 6.27 0.30 -1.70 0.01 -1.26 -1.46 113.70 116.17 2kh2 s SER 84 Ca 0.02 -1.44 0.06 0.00 1.31 0.00 0.00 55.95 55.90 2kh2 s SER 84 Cb -0.13 -2.35 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 2kh2 s SER 84 CO 0.01 -1.19 0.41 0.68 0.41 0.00 0.00 173.24 173.55 2kh2 s VAL 85 N 3.03 4.46 -0.19 3.43 -7.23 -0.94 -5.02 120.40 117.92 2kh2 s VAL 85 Ca 0.19 -1.04 -0.33 0.00 -1.81 0.00 0.00 61.98 58.99 2kh2 s VAL 85 Cb -0.18 -3.55 -0.10 0.00 0.56 0.00 0.00 36.38 33.11 2kh2 s VAL 85 CO 0.04 -0.23 2.06 -0.67 -0.31 0.00 0.00 175.10 176.00 2kh2 n ASP 86 N -1.52 3.05 0.12 4.85 4.64 -1.26 -4.84 116.55 121.59 2kh2 n ASP 86 Ca -0.04 0.61 0.11 0.00 -1.38 0.00 0.00 54.79 54.09 2kh2 n ASP 86 Cb 0.58 -1.39 0.48 0.00 -1.04 0.00 0.00 41.12 39.75 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 7.66 0.16 -0.00 -0.67 -0.04 -1.26 -1.46 135.00 139.39 2kh2 n PRO 87 Ca 0.30 0.47 0.11 0.00 -0.04 0.00 0.00 63.50 64.34 2kh2 n PRO 87 Cb 0.32 -1.85 -0.14 0.00 -0.04 0.00 0.00 33.50 31.78 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 -2.16 0.47 -0.01 0.54 2.85 -1.26 -4.19 118.16 114.40 2kh2 n LYS 88 Ca 0.01 -0.13 0.09 0.00 -1.05 0.00 0.00 58.31 57.23 2kh2 n LYS 88 Cb 0.16 -1.53 0.09 0.00 -0.65 0.00 0.00 35.03 33.10 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 -2.06 2.58 -4.13 -5.58 3.02 -0.85 -4.96 115.26 103.28 2kh2 n ASN 89 Ca -0.02 -1.78 -0.15 0.00 -0.03 0.00 0.00 54.58 52.61 2kh2 n ASN 89 Cb 0.50 -0.02 -0.11 0.00 -0.61 0.00 0.00 39.78 39.54 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 -1.51 0.97 0.91 3.10 1.51 -0.53 -4.56 117.35 117.23 2kh2 s TYR 90 Ca 0.22 -0.55 -0.11 0.00 -1.01 0.00 0.00 57.07 55.62 2kh2 s TYR 90 Cb 0.16 -0.55 0.20 0.00 -0.11 0.00 0.00 41.96 41.66 2kh2 s TYR 90 CO 0.23 -0.02 1.24 -1.25 -1.11 0.00 0.00 175.55 174.64 2kh2 s PRO 91 N -2.08 0.76 0.08 -1.71 0.04 -1.26 -4.75 135.00 126.08 2kh2 s PRO 91 Ca -0.02 -0.79 -0.05 0.00 0.04 0.00 0.00 61.00 60.18 2kh2 s PRO 91 Cb -0.07 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 2kh2 s PRO 91 CO 0.01 -2.23 0.09 -1.59 0.04 0.00 0.00 177.00 173.32 2kh2 s LYS 92 N -5.69 0.78 0.17 4.56 -2.85 -1.26 -5.06 119.74 110.39 2kh2 s LYS 92 Ca 0.74 -1.13 -0.08 0.00 -1.00 0.00 0.00 55.97 54.50 2kh2 s LYS 92 Cb -0.03 0.28 0.03 0.00 -2.06 0.00 0.00 37.83 36.05 2kh2 s LYS 92 CO 0.51 -0.21 1.51 -0.22 0.10 0.00 0.00 175.35 177.03 2kh2 h LYS 93 N 2.91 0.83 -3.58 1.78 3.64 -1.97 -3.35 116.57 116.83 2kh2 h LYS 93 Ca -0.34 -0.44 -0.75 0.00 -1.27 0.00 0.00 60.65 57.86 2kh2 h LYS 93 Cb 1.18 0.02 -0.31 0.00 -0.41 0.00 0.00 32.23 32.70 2kh2 h LYS 93 CO 0.60 1.07 0.02 0.21 -2.27 0.00 0.00 179.45 179.08 2kh2 s LYS 94 N -4.34 3.41 0.84 1.90 2.47 -1.26 -2.25 119.74 120.51 2kh2 s LYS 94 Ca -0.10 -2.86 -0.11 0.00 -1.56 0.00 0.00 55.97 51.34 2kh2 s LYS 94 Cb 0.11 -4.17 0.13 0.00 -1.46 0.00 0.00 37.83 32.45 2kh2 s LYS 94 CO 0.87 -1.25 1.18 -1.64 0.16 0.00 0.00 175.35 174.67 2kh2 s MET 95 N -0.60 1.42 0.54 4.03 -1.94 -1.26 -5.04 119.30 116.46 2kh2 s MET 95 Ca 0.23 -0.32 -0.20 0.00 -1.71 0.00 0.00 55.69 53.69 2kh2 s MET 95 Cb -0.12 -2.00 -0.06 0.00 2.01 0.00 0.00 34.83 34.67 2kh2 s MET 95 CO -0.08 -1.85 1.15 -1.21 -0.01 0.00 0.00 175.02 173.02 2kh2 s GLU 96 N -5.59 3.36 0.58 2.03 8.01 -1.26 -4.89 118.70 120.94 2kh2 s GLU 96 Ca 0.67 1.67 0.28 0.00 0.01 0.00 0.00 54.97 57.60 2kh2 s GLU 96 Cb -0.07 -2.05 1.71 0.00 -4.31 0.00 0.00 34.13 29.40 2kh2 s GLU 96 CO 0.49 -0.86 2.19 -0.22 0.01 0.00 0.00 175.26 176.87 2kh2 h LYS 97 N 1.28 0.00 0.00 1.61 3.64 -1.96 0.15 116.57 121.29 2kh2 h LYS 97 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2kh2 h LYS 97 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2kh2 h LYS 97 CO 0.57 0.00 0.00 2.89 -2.27 0.00 0.00 179.45 180.64 2kh2 n ARG 98 N -3.92 0.03 0.00 1.90 1.85 -1.26 -2.70 116.66 112.56 2kh2 n ARG 98 Ca -0.01 0.09 0.07 0.00 -1.00 0.00 0.00 57.85 56.99 2kh2 n ARG 98 Cb 0.17 -1.55 0.02 0.00 -1.05 0.00 0.00 32.46 30.06 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 -1.61 0.00 -3.43 2.89 3.72 0.50 -1.03 117.46 118.49 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 0.31 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.76 2kh2 n PHE 99 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2kh2 s VAL 100 N -1.50 5.20 0.04 -4.37 1.01 -0.99 -4.03 120.40 115.77 2kh2 s VAL 100 Ca 0.14 0.41 0.04 0.00 0.00 0.00 0.00 61.98 62.57 2kh2 s VAL 100 Cb 0.12 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2kh2 s VAL 100 CO 0.28 0.13 -0.04 -0.36 0.00 0.00 0.00 175.10 175.12 2kh2 s PHE 101 N 2.01 2.94 -0.54 5.22 0.40 0.51 -2.15 117.98 126.35 2kh2 s PHE 101 Ca 0.13 -0.03 -0.17 0.00 -0.60 0.00 0.00 56.93 56.27 2kh2 s PHE 101 Cb -0.16 -1.58 0.11 0.00 0.51 0.00 0.00 43.02 41.91 2kh2 s PHE 101 CO 0.10 0.43 0.54 -0.80 0.70 0.00 0.00 175.22 176.20 2kh2 s ASN 102 N -1.81 6.18 -0.79 1.36 0.02 0.26 -0.46 114.94 119.70 2kh2 s ASN 102 Ca 0.21 -1.62 -0.26 0.00 -1.02 0.00 0.00 52.86 50.16 2kh2 s ASN 102 Cb -0.11 -2.23 0.03 0.00 0.02 0.00 0.00 41.25 38.95 2kh2 s ASN 102 CO 0.12 -0.90 1.40 -0.75 0.02 0.00 0.00 177.10 176.99 2kh2 s LYS 103 N 1.90 3.20 0.14 -0.60 2.20 0.74 -1.44 119.74 125.88 2kh2 s LYS 103 Ca 0.06 -0.35 -0.08 0.00 -0.36 0.00 0.00 55.97 55.24 2kh2 s LYS 103 Cb -0.28 -4.49 -0.06 0.00 -1.51 0.00 0.00 37.83 31.50 2kh2 s LYS 103 CO 0.04 -2.26 0.42 0.42 -0.36 0.00 0.00 175.35 173.62 2kh2 s ILE 104 N 6.05 5.09 -0.41 5.43 1.01 0.95 -0.86 121.20 138.45 2kh2 s ILE 104 Ca 0.42 0.28 0.02 0.00 0.00 0.00 0.00 60.65 61.37 2kh2 s ILE 104 Cb -0.07 -3.63 0.15 0.00 0.01 0.00 0.00 42.46 38.93 2kh2 s ILE 104 CO 0.10 0.10 0.29 -1.83 0.00 0.00 0.00 174.94 173.59 2kh2 s GLU 105 N -2.43 0.93 0.02 2.79 -1.05 -1.04 -0.07 118.70 117.85 2kh2 s GLU 105 Ca 0.40 -1.88 -0.10 0.00 -0.15 0.00 0.00 54.97 53.24 2kh2 s GLU 105 Cb -0.13 -1.64 -0.05 0.00 -0.44 0.00 0.00 34.13 31.87 2kh2 s GLU 105 CO 0.22 -1.28 1.16 -0.84 0.95 0.00 0.00 175.26 175.46 2kh2 h ILE 106 N 4.86 0.00 0.00 1.83 3.07 -1.89 -3.46 117.51 121.91 2kh2 h ILE 106 Ca 0.14 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.55 2kh2 h ILE 106 Cb 0.93 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.48 2kh2 h ILE 106 CO 0.37 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.01 2kh2 n ASN 107 N -3.11 0.00 -0.19 2.16 0.23 -1.26 -4.97 115.26 108.12 2kh2 n ASN 107 Ca -0.04 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 54.07 2kh2 n ASN 107 Cb 0.14 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.82 2kh2 n ASN 107 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2kh2 n ASN 108 N 0.00 1.10 -4.74 0.53 6.94 -1.26 -4.97 115.26 112.86 2kh2 n ASN 108 Ca 0.00 -1.05 -0.32 0.00 -0.02 0.00 0.00 54.58 53.19 2kh2 n ASN 108 Cb 0.00 0.61 -0.08 0.00 -2.36 0.00 0.00 39.78 37.95 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2kh2 s LYS 109 N -1.62 2.90 -0.09 -3.83 -0.14 -1.26 -4.96 119.74 110.75 2kh2 s LYS 109 Ca 0.08 -0.59 0.00 0.00 -1.36 0.00 0.00 55.97 54.11 2kh2 s LYS 109 Cb 0.09 -2.75 -0.03 0.00 -1.68 0.00 0.00 37.83 33.46 2kh2 s LYS 109 CO 0.33 0.62 -0.09 -0.51 -0.76 0.00 0.00 175.35 174.94 2kh2 s LEU 110 N -1.83 3.03 0.02 3.17 1.02 -0.33 -3.32 118.68 120.44 2kh2 s LEU 110 Ca 0.23 -0.12 0.05 0.00 0.02 0.00 0.00 54.13 54.31 2kh2 s LEU 110 Cb -0.12 -1.67 -0.03 0.00 0.02 0.00 0.00 46.19 44.39 2kh2 s LEU 110 CO 0.14 0.30 -0.11 -1.61 0.02 0.00 0.00 176.35 175.09 2kh2 s GLU 111 N -0.43 2.37 -0.36 1.70 2.02 0.90 0.40 118.70 125.30 2kh2 s GLU 111 Ca 0.06 -0.82 -0.02 0.00 0.02 0.00 0.00 54.97 54.21 2kh2 s GLU 111 Cb -0.12 -2.38 0.08 0.00 0.10 0.00 0.00 34.13 31.81 2kh2 s GLU 111 CO 0.02 0.58 0.10 -0.06 0.02 0.00 0.00 175.26 175.92 2kh2 s PHE 112 N -0.96 3.46 0.18 1.61 0.08 -1.26 -0.04 117.98 121.06 2kh2 s PHE 112 Ca 0.16 -2.22 -0.03 0.00 0.12 0.00 0.00 56.93 54.96 2kh2 s PHE 112 Cb -0.11 -2.71 -0.05 0.00 -0.57 0.00 0.00 43.02 39.58 2kh2 s PHE 112 CO 0.07 -0.89 0.40 -2.00 -0.10 0.00 0.00 175.22 172.69 2kh2 s GLU 113 N 1.17 3.58 -0.08 0.44 2.12 -0.52 -0.99 118.70 124.42 2kh2 s GLU 113 Ca 0.03 -0.18 -0.20 0.00 0.36 0.00 0.00 54.97 54.98 2kh2 s GLU 113 Cb -0.21 -2.82 -0.04 0.00 0.26 0.00 0.00 34.13 31.31 2kh2 s GLU 113 CO -0.03 0.42 0.54 0.45 -0.54 0.00 0.00 175.26 176.10 2kh2 s SER 114 N -2.80 6.80 0.17 -1.70 0.15 0.22 0.93 113.70 117.47 2kh2 s SER 114 Ca 0.40 0.95 -0.09 0.00 0.70 0.00 0.00 55.95 57.92 2kh2 s SER 114 Cb -0.12 -2.32 0.03 0.00 -1.71 0.00 0.00 66.02 61.90 2kh2 s SER 114 CO 0.27 0.00 1.55 0.00 1.20 0.00 0.00 173.24 176.26 2kh2 h ALA 115 N 6.48 0.70 -0.76 5.45 0.00 -1.64 -3.03 119.26 126.46 2kh2 h ALA 115 Ca -0.42 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.04 2kh2 h ALA 115 Cb 1.19 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2kh2 h ALA 115 CO 0.74 0.67 0.29 0.37 0.00 0.00 0.00 179.25 181.33 2kh2 h GLN 116 N 0.81 1.14 -3.58 0.00 5.75 -1.77 -3.37 115.11 114.10 2kh2 h GLN 116 Ca 0.10 -0.21 -0.63 0.00 -0.15 0.00 0.00 58.65 57.76 2kh2 h GLN 116 Cb 0.83 -0.18 -0.40 0.00 1.07 0.00 0.00 27.48 28.79 2kh2 h GLN 116 CO 0.07 0.94 -0.70 -0.06 -2.65 0.00 0.00 178.83 176.43 2kh2 s PHE 117 N -5.53 2.71 0.47 3.99 0.08 -1.15 -5.08 117.98 113.47 2kh2 s PHE 117 Ca -0.12 -2.69 -0.24 0.00 0.12 0.00 0.00 56.93 54.00 2kh2 s PHE 117 Cb 0.15 -2.39 -0.07 0.00 -0.57 0.00 0.00 43.02 40.14 2kh2 s PHE 117 CO 0.83 -0.82 1.39 -2.14 -0.10 0.00 0.00 175.22 174.38 2kh2 s PRO 118 N 0.47 3.56 0.00 0.24 0.02 -1.18 -2.27 135.00 135.83 2kh2 s PRO 118 Ca 0.15 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.49 2kh2 s PRO 118 Cb -0.23 -2.54 0.00 0.00 0.02 0.00 0.00 34.50 31.75 2kh2 s PRO 118 CO -0.05 -0.89 0.00 0.09 -0.33 0.00 0.00 177.00 175.82 2kh2 n ASN 119 N -0.41 0.00 -4.35 2.53 5.03 -1.26 -4.99 115.26 111.80 2kh2 n ASN 119 Ca 0.07 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.12 2kh2 n ASN 119 Cb 0.43 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 39.08 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2kh2 s TRP 120 N -3.76 3.24 0.23 3.10 0.52 -0.96 -4.18 118.94 117.13 2kh2 s TRP 120 Ca 0.00 -1.06 0.08 0.00 0.02 0.00 0.00 56.10 55.14 2kh2 s TRP 120 Cb 0.00 -2.40 -0.04 0.00 -1.15 0.00 0.00 33.47 29.88 2kh2 s TRP 120 CO 0.00 -0.66 0.03 0.71 0.02 0.00 0.00 176.95 177.05 2kh2 s TYR 121 N 1.52 2.81 -0.15 -1.98 1.51 0.78 -0.61 117.35 121.23 2kh2 s TYR 121 Ca 0.01 -0.18 -0.29 0.00 -1.01 0.00 0.00 57.07 55.60 2kh2 s TYR 121 Cb -0.19 -1.29 -0.04 0.00 -0.11 0.00 0.00 41.96 40.33 2kh2 s TYR 121 CO 0.06 0.57 1.66 0.42 -1.11 0.00 0.00 175.55 177.15 2kh2 s ILE 122 N -2.08 3.62 0.16 2.71 1.01 -0.16 -0.39 121.20 126.07 2kh2 s ILE 122 Ca 0.30 0.71 0.11 0.00 0.00 0.00 0.00 60.65 61.77 2kh2 s ILE 122 Cb -0.08 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 2kh2 s ILE 122 CO 0.20 -0.19 -0.23 -0.44 0.00 0.00 0.00 174.94 174.29 2kh2 s SER 123 N 4.09 3.53 0.09 3.58 0.01 0.78 -4.40 113.70 121.38 2kh2 s SER 123 Ca 0.74 -0.75 0.03 0.00 1.31 0.00 0.00 55.95 57.28 2kh2 s SER 123 Cb -0.29 -0.33 -0.03 0.00 0.21 0.00 0.00 66.02 65.58 2kh2 s SER 123 CO 0.30 0.15 -0.10 0.42 0.41 0.00 0.00 173.24 174.42 2kh2 s THR 124 N -1.37 0.88 0.56 1.44 -4.23 -0.55 -2.12 115.64 110.25 2kh2 s THR 124 Ca 0.18 -1.54 0.02 0.00 -1.18 0.00 0.00 61.69 59.17 2kh2 s THR 124 Cb -0.09 -1.24 0.04 0.00 1.34 0.00 0.00 72.50 72.55 2kh2 s THR 124 CO 0.09 -0.52 0.78 -0.44 -0.54 0.00 0.00 174.62 173.99 2kh2 s SER 125 N -2.28 5.21 0.22 3.99 0.01 -1.26 0.26 113.70 119.85 2kh2 s SER 125 Ca 0.03 -0.14 0.13 0.00 1.31 0.00 0.00 55.95 57.28 2kh2 s SER 125 Cb -0.04 -0.69 -0.02 0.00 0.21 0.00 0.00 66.02 65.47 2kh2 s SER 125 CO 0.00 -1.19 1.36 1.56 0.41 0.00 0.00 173.24 175.38 2kh2 h GLN 126 N 0.08 0.00 -7.06 12.44 1.08 -1.96 -3.46 115.11 116.23 2kh2 h GLN 126 Ca -0.41 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.27 2kh2 h GLN 126 Cb 1.29 0.00 0.10 0.00 -0.05 0.00 0.00 27.48 28.82 2kh2 h GLN 126 CO 0.49 0.62 0.50 0.00 -0.95 0.00 0.00 178.83 179.49 2kh2 s ALA 127 N -2.89 2.75 0.31 3.87 0.00 -1.26 -5.00 121.76 119.55 2kh2 s ALA 127 Ca 0.03 1.02 -0.27 0.00 0.00 0.00 0.00 51.96 52.74 2kh2 s ALA 127 Cb 0.08 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 2kh2 s ALA 127 CO 0.77 -0.99 0.95 -2.00 0.00 0.00 0.00 175.76 174.49 2kh2 s GLU 128 N -3.04 4.63 -0.82 0.00 2.56 -1.26 -3.80 118.70 116.97 2kh2 s GLU 128 Ca 0.71 1.38 -0.01 0.00 0.00 0.00 0.00 54.97 57.06 2kh2 s GLU 128 Cb -0.31 -2.90 0.00 0.00 2.00 0.00 0.00 34.13 32.92 2kh2 s GLU 128 CO 0.35 0.31 0.07 -1.71 -0.56 0.00 0.00 175.26 173.73 2kh2 n ASN 129 N 0.75 -3.42 -4.86 -1.70 5.15 -1.23 -5.02 115.26 104.92 2kh2 n ASN 129 Ca 0.01 -0.04 -0.36 0.00 -0.60 0.00 0.00 54.58 53.59 2kh2 n ASN 129 Cb 0.49 -2.60 -0.06 0.00 -0.53 0.00 0.00 39.78 37.09 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 -4.64 3.71 0.93 1.20 -1.94 -1.21 -4.88 119.30 112.47 2kh2 s MET 130 Ca 0.04 0.13 -0.13 0.00 -1.71 0.00 0.00 55.69 54.02 2kh2 s MET 130 Cb -0.02 -3.13 0.15 0.00 2.01 0.00 0.00 34.83 33.84 2kh2 s MET 130 CO 0.04 0.67 1.14 -1.25 -0.01 0.00 0.00 175.02 175.62 2kh2 s PRO 131 N -1.41 0.99 -0.12 2.03 0.04 -1.26 -0.01 135.00 135.26 2kh2 s PRO 131 Ca 0.25 0.26 -0.15 0.00 0.04 0.00 0.00 61.00 61.40 2kh2 s PRO 131 Cb -0.14 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 2kh2 s PRO 131 CO 0.13 -2.29 0.36 0.08 0.04 0.00 0.00 177.00 175.32 2kh2 s VAL 132 N -3.28 5.23 0.25 -0.36 1.01 -0.41 -4.60 120.40 118.25 2kh2 s VAL 132 Ca 0.65 0.70 0.02 0.00 0.00 0.00 0.00 61.98 63.34 2kh2 s VAL 132 Cb -0.14 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2kh2 s VAL 132 CO 0.54 0.42 0.18 0.72 0.00 0.00 0.00 175.10 176.95 2kh2 s PHE 133 N 0.16 1.40 -0.23 5.22 -0.71 -0.90 -4.79 117.98 118.13 2kh2 s PHE 133 Ca 0.20 -1.46 -0.12 0.00 -1.04 0.00 0.00 56.93 54.51 2kh2 s PHE 133 Cb -0.14 -0.65 -0.05 0.00 -1.21 0.00 0.00 43.02 40.98 2kh2 s PHE 133 CO 0.07 -0.69 0.24 -1.17 -1.34 0.00 0.00 175.22 172.34 2kh2 s LEU 134 N -3.25 4.12 0.10 -1.99 2.96 -1.26 -0.16 118.68 119.20 2kh2 s LEU 134 Ca 0.39 0.24 0.10 0.00 -0.22 0.00 0.00 54.13 54.64 2kh2 s LEU 134 Cb 0.05 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 2kh2 s LEU 134 CO 0.17 0.00 -0.25 -0.83 -1.32 0.00 0.00 176.35 174.12 2kh2 s GLY 135 N 1.12 1.54 -0.08 7.98 0.00 0.48 -4.88 107.32 113.48 2kh2 s GLY 135 Ca 0.11 -1.38 0.13 0.00 0.00 0.00 0.00 44.72 43.58 2kh2 s GLY 135 CO 0.06 -1.33 1.32 0.61 0.00 0.00 0.00 173.10 173.76 2kh2 n GLY 136 N 1.20 3.40 3.05 0.20 0.00 -1.26 -0.15 105.19 111.62 2kh2 n GLY 136 Ca -0.17 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 2kh2 n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kh2 s THR 137 N -1.86 2.57 0.01 2.61 2.01 -1.26 -4.88 115.64 114.83 2kh2 s THR 137 Ca 0.31 -2.22 -0.23 0.00 0.31 0.00 0.00 61.69 59.86 2kh2 s THR 137 Cb 0.22 -2.83 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 2kh2 s THR 137 CO 0.12 -0.59 0.69 -0.75 -0.69 0.00 0.00 174.62 173.39 2kh2 s LYS 138 N 0.98 4.42 -0.09 4.92 2.20 -1.26 -3.75 119.74 127.15 2kh2 s LYS 138 Ca 0.09 0.91 0.00 0.00 -0.36 0.00 0.00 55.97 56.61 2kh2 s LYS 138 Cb -0.20 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 2kh2 s LYS 138 CO -0.07 0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.63 2kh2 n GLY 139 N 2.48 0.43 0.00 5.54 0.00 -1.26 -5.03 105.19 107.35 2kh2 n GLY 139 Ca -0.04 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.56 1.17 0.14 -0.02 0.00 -1.25 -5.01 105.19 97.66 2kh2 n GLY 140 Ca -0.01 -0.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 2kh2 n GLY 140 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kh2 h GLN 141 N 0.00 0.30 -7.44 1.61 7.50 -1.96 -3.47 115.11 111.64 2kh2 h GLN 141 Ca 0.00 -0.51 -0.45 0.00 0.50 0.00 0.00 58.65 58.19 2kh2 h GLN 141 Cb 0.00 0.19 0.15 0.00 0.05 0.00 0.00 27.48 27.87 2kh2 h GLN 141 CO 0.00 1.24 0.24 -0.51 -1.50 0.00 0.00 178.83 178.30 2kh2 s ASP 142 N -7.13 2.82 -0.14 1.46 1.01 -1.26 -4.68 116.67 108.75 2kh2 s ASP 142 Ca -0.20 0.97 -0.05 0.00 0.71 0.00 0.00 52.55 53.99 2kh2 s ASP 142 Cb 0.05 -1.52 -0.04 0.00 1.01 0.00 0.00 42.92 42.43 2kh2 s ASP 142 CO 0.79 -2.99 0.02 -0.63 0.21 0.00 0.00 175.17 172.58 2kh2 s ILE 143 N -3.15 4.47 -0.13 0.77 1.01 0.14 -4.76 121.20 119.56 2kh2 s ILE 143 Ca 0.66 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 61.16 2kh2 s ILE 143 Cb -0.15 -2.95 -0.00 0.00 0.01 0.00 0.00 42.46 39.36 2kh2 s ILE 143 CO 0.55 0.53 0.32 0.35 0.00 0.00 0.00 174.94 176.69 2kh2 n THR 144 N 2.95 0.00 -4.26 2.92 -2.24 -1.26 -1.49 114.28 110.90 2kh2 n THR 144 Ca -0.18 -0.49 -0.32 0.00 -2.27 0.00 0.00 64.05 60.79 2kh2 n THR 144 Cb 0.53 1.02 -0.09 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.58 5.14 0.32 3.42 -4.77 -1.26 -4.00 116.67 114.93 2kh2 s ASP 145 Ca 0.01 -0.01 0.07 0.00 -3.30 0.00 0.00 52.55 49.32 2kh2 s ASP 145 Cb 0.01 -1.34 -0.03 0.00 -1.09 0.00 0.00 42.92 40.47 2kh2 s ASP 145 CO 0.03 0.27 0.26 0.49 0.70 0.00 0.00 175.17 176.92 2kh2 n PHE 146 N 1.33 -0.69 -4.46 2.11 3.72 0.16 -3.70 117.46 115.93 2kh2 n PHE 146 Ca -0.14 -2.63 -0.26 0.00 -0.05 0.00 0.00 57.45 54.37 2kh2 n PHE 146 Cb 0.53 0.25 -0.10 0.00 -0.94 0.00 0.00 39.48 39.22 2kh2 n PHE 146 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2kh2 s THR 147 N -3.26 2.25 -0.52 4.37 -4.23 0.38 -1.19 115.64 113.45 2kh2 s THR 147 Ca 0.36 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.94 2kh2 s THR 147 Cb 0.02 -2.86 0.35 0.00 1.34 0.00 0.00 72.50 71.34 2kh2 s THR 147 CO 0.26 -0.10 0.90 0.80 -0.54 0.00 0.00 174.62 175.94 2kh2 n MET 148 N -0.96 2.62 -1.71 3.99 1.56 -1.26 -3.83 117.12 117.53 2kh2 n MET 148 Ca -0.04 -4.44 -0.42 0.00 -0.27 0.00 0.00 57.70 52.52 2kh2 n MET 148 Cb 0.65 -2.09 -0.03 0.00 2.15 0.00 0.00 33.22 33.90 2kh2 n MET 148 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 2kh2 s GLN 149 N -3.20 4.08 0.00 2.12 1.11 -0.94 -4.76 119.66 118.07 2kh2 s GLN 149 Ca 0.46 2.52 -0.28 0.00 0.01 0.00 0.00 55.36 58.07 2kh2 s GLN 149 Cb 0.30 -4.15 -0.04 0.00 -1.01 0.00 0.00 33.01 28.11 2kh2 s GLN 149 CO -0.12 -1.02 0.90 -0.06 0.01 0.00 0.00 175.29 175.00 2kh2 s PHE 150 N 4.65 3.67 0.48 0.91 0.08 -1.26 -0.04 117.98 126.46 2kh2 s PHE 150 Ca 0.87 1.60 0.06 0.00 0.12 0.00 0.00 56.93 59.58 2kh2 s PHE 150 Cb -0.41 -3.02 -0.01 0.00 -0.57 0.00 0.00 43.02 39.01 2kh2 s PHE 150 CO 0.40 0.06 0.24 0.14 -0.10 0.00 0.00 175.22 175.96 2kh2 s VAL 151 N 0.74 1.91 -0.30 -0.44 -7.23 -1.19 -4.95 120.40 108.94 2kh2 s VAL 151 Ca 0.47 -1.65 -0.04 0.00 -1.81 0.00 0.00 61.98 58.95 2kh2 s VAL 151 Cb -0.21 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 2kh2 s VAL 151 CO 0.26 0.00 3.04 -1.54 -0.31 0.00 0.00 175.10 176.54 2kh2 n SER 152 N -1.45 6.07 0.00 4.85 3.41 -1.26 -4.86 113.62 120.38 2kh2 n SER 152 Ca -0.04 -2.97 0.00 0.00 -0.26 0.00 0.00 58.87 55.60 2kh2 n SER 152 Cb 0.65 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68