#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kh2 h PRO 2 N 0.00 0.00 -4.63 0.00 0.13 -2.03 -3.41 132.00 122.06 2kh2 h PRO 2 Ca 0.00 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.43 2kh2 h PRO 2 Cb 0.00 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 30.90 2kh2 h PRO 2 CO 0.00 0.00 -0.51 0.54 -0.23 0.00 0.00 178.00 177.80 2kh2 s VAL 3 N -3.30 4.70 0.56 1.56 0.11 -1.26 -4.96 120.40 117.81 2kh2 s VAL 3 Ca 0.06 -0.71 -0.08 0.00 -2.93 0.00 0.00 61.98 58.32 2kh2 s VAL 3 Cb 0.09 -3.56 -0.03 0.00 -1.53 0.00 0.00 36.38 31.34 2kh2 s VAL 3 CO 0.56 -0.17 0.92 -0.13 -3.33 0.00 0.00 175.10 172.96 2kh2 s ARG 4 N 1.59 3.51 0.11 1.54 0.52 -1.26 -4.91 118.95 120.06 2kh2 s ARG 4 Ca 0.03 0.47 -0.22 0.00 -0.52 0.00 0.00 55.73 55.49 2kh2 s ARG 4 Cb -0.19 -2.21 0.06 0.00 0.52 0.00 0.00 34.95 33.13 2kh2 s ARG 4 CO 0.07 -0.44 0.55 -1.12 0.02 0.00 0.00 175.30 174.38 2kh2 s SER 5 N -4.16 -0.49 0.02 0.23 0.01 -1.26 -0.52 113.70 107.52 2kh2 s SER 5 Ca 0.52 0.03 -0.01 0.00 1.31 0.00 0.00 55.95 57.80 2kh2 s SER 5 Cb -0.11 0.55 -0.01 0.00 0.21 0.00 0.00 66.02 66.66 2kh2 s SER 5 CO 0.50 -0.87 0.00 -1.48 0.41 0.00 0.00 173.24 171.80 2kh2 s LEU 6 N -2.47 2.09 -0.15 2.44 2.34 -0.54 -4.94 118.68 117.45 2kh2 s LEU 6 Ca -0.01 -0.41 -0.02 0.00 0.06 0.00 0.00 54.13 53.75 2kh2 s LEU 6 Cb -0.00 0.21 -0.02 0.00 -0.56 0.00 0.00 46.19 45.82 2kh2 s LEU 6 CO -0.09 -0.30 -0.10 0.20 -1.06 0.00 0.00 176.35 175.01 2kh2 s ASN 7 N -1.36 4.25 0.22 1.48 -0.87 -1.26 -0.06 114.94 117.34 2kh2 s ASN 7 Ca -0.15 -0.29 -0.19 0.00 -1.57 0.00 0.00 52.86 50.66 2kh2 s ASN 7 Cb -0.09 -1.67 0.03 0.00 -0.02 0.00 0.00 41.25 39.50 2kh2 s ASN 7 CO -0.00 0.14 0.60 0.00 -2.57 0.00 0.00 177.10 175.27 2kh2 s THR 9 N -3.88 3.44 -0.18 0.00 2.01 -0.07 -1.31 115.64 115.66 2kh2 s THR 9 Ca 0.09 -0.51 -0.10 0.00 0.31 0.00 0.00 61.69 61.48 2kh2 s THR 9 Cb -0.03 -2.49 -0.05 0.00 0.01 0.00 0.00 72.50 69.94 2kh2 s THR 9 CO -0.01 0.50 0.14 -0.76 -0.69 0.00 0.00 174.62 173.80 2kh2 s LEU 10 N 0.50 4.24 0.03 4.42 1.43 -1.26 -2.14 118.68 125.90 2kh2 s LEU 10 Ca -0.06 0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 2kh2 s LEU 10 Cb -0.15 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 2kh2 s LEU 10 CO 0.03 0.21 -0.09 -0.13 0.23 0.00 0.00 176.35 176.61 2kh2 s ARG 11 N 0.14 0.61 0.92 1.70 0.52 -1.17 -3.97 118.95 117.70 2kh2 s ARG 11 Ca 0.10 -0.64 -0.14 0.00 -0.52 0.00 0.00 55.73 54.53 2kh2 s ARG 11 Cb -0.11 -0.50 0.17 0.00 0.52 0.00 0.00 34.95 35.03 2kh2 s ARG 11 CO -0.01 0.11 1.27 0.16 0.02 0.00 0.00 175.30 176.86 2kh2 s ASP 12 N -1.15 3.46 0.00 0.23 1.47 -0.87 -0.27 116.67 119.55 2kh2 s ASP 12 Ca -0.04 0.33 0.15 0.00 1.18 0.00 0.00 52.55 54.17 2kh2 s ASP 12 Cb -0.08 -0.48 0.67 0.00 -0.34 0.00 0.00 42.92 42.69 2kh2 s ASP 12 CO 0.01 -2.52 1.46 -1.54 0.68 0.00 0.00 175.17 173.26 2kh2 n SER 13 N -3.62 0.00 -1.02 2.11 3.41 -1.24 -1.79 113.62 111.46 2kh2 n SER 13 Ca 0.14 0.39 0.10 0.00 -0.26 0.00 0.00 58.87 59.24 2kh2 n SER 13 Cb 0.60 -0.44 0.26 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.44 2.30 -1.36 4.33 1.13 -1.26 -4.91 117.38 116.16 2kh2 n GLN 14 Ca 0.05 -2.00 -0.09 0.00 -1.94 0.00 0.00 57.00 53.01 2kh2 n GLN 14 Cb 0.16 -1.46 -0.04 0.00 0.11 0.00 0.00 30.24 29.01 2kh2 n GLN 14 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2kh2 n GLN 15 N 1.15 -0.66 -3.28 -1.09 1.13 -0.74 -4.98 117.38 108.91 2kh2 n GLN 15 Ca 0.19 0.79 -0.33 0.00 -1.94 0.00 0.00 57.00 55.71 2kh2 n GLN 15 Cb 0.50 -4.70 -0.06 0.00 0.11 0.00 0.00 30.24 26.09 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 -2.96 3.95 0.21 -1.09 1.02 -1.26 -4.44 119.74 115.17 2kh2 s LYS 16 Ca 0.00 0.51 0.10 0.00 0.02 0.00 0.00 55.97 56.59 2kh2 s LYS 16 Cb 0.00 -2.66 -0.04 0.00 -0.52 0.00 0.00 37.83 34.61 2kh2 s LYS 16 CO 0.00 0.31 -0.10 -1.12 -0.92 0.00 0.00 175.35 173.51 2kh2 s SER 17 N -2.13 4.15 -0.22 2.83 0.01 0.12 -2.04 113.70 116.42 2kh2 s SER 17 Ca 0.47 -0.67 -0.20 0.00 1.31 0.00 0.00 55.95 56.85 2kh2 s SER 17 Cb -0.12 -0.65 -0.02 0.00 0.21 0.00 0.00 66.02 65.44 2kh2 s SER 17 CO 0.20 0.08 0.62 -0.76 0.41 0.00 0.00 173.24 173.79 2kh2 s LEU 18 N -3.06 4.11 0.14 2.44 1.43 -1.25 -1.07 118.68 121.42 2kh2 s LEU 18 Ca 0.26 0.78 0.10 0.00 -1.03 0.00 0.00 54.13 54.24 2kh2 s LEU 18 Cb -0.08 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 2kh2 s LEU 18 CO 0.15 -0.31 -0.24 0.68 0.23 0.00 0.00 176.35 176.86 2kh2 s VAL 19 N 2.13 2.13 -0.53 -1.59 -7.23 0.67 -3.58 120.40 112.39 2kh2 s VAL 19 Ca 0.27 -1.78 -0.28 0.00 -1.81 0.00 0.00 61.98 58.38 2kh2 s VAL 19 Cb -0.16 -1.92 0.03 0.00 0.56 0.00 0.00 36.38 34.89 2kh2 s VAL 19 CO 0.10 -0.01 1.22 -0.04 -0.31 0.00 0.00 175.10 176.05 2kh2 s MET 20 N -2.20 3.56 0.00 4.82 -1.94 -1.26 -1.05 119.30 121.23 2kh2 s MET 20 Ca 0.14 0.44 0.00 0.00 -1.71 0.00 0.00 55.69 54.55 2kh2 s MET 20 Cb -0.09 -3.99 0.00 0.00 2.01 0.00 0.00 34.83 32.75 2kh2 s MET 20 CO 0.06 -1.61 0.10 0.45 -0.01 0.00 0.00 175.02 174.02 2kh2 n SER 21 N 8.41 0.00 -2.83 3.03 2.88 -0.22 -4.96 113.62 119.94 2kh2 n SER 21 Ca 0.11 0.26 -0.08 0.00 -1.33 0.00 0.00 58.87 57.83 2kh2 n SER 21 Cb 0.49 -0.19 -0.01 0.00 -0.75 0.00 0.00 64.21 63.75 2kh2 n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kh2 n GLY 22 N 1.87 3.32 0.27 0.46 0.00 -1.08 -4.95 105.19 105.08 2kh2 n GLY 22 Ca 0.00 -2.23 0.08 0.00 0.00 0.00 0.00 46.02 43.87 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 0.10 -0.14 1.61 0.13 -2.04 -2.90 132.00 128.77 2kh2 h PRO 23 Ca -0.11 -0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.85 2kh2 h PRO 23 Cb 0.38 -0.02 -0.25 0.00 0.13 0.00 0.00 31.00 31.24 2kh2 h PRO 23 CO 0.18 0.07 -0.82 0.66 -0.23 0.00 0.00 178.00 177.85 2kh2 n TYR 24 N -4.52 0.46 -3.99 1.56 4.01 -1.26 -5.01 117.16 108.41 2kh2 n TYR 24 Ca -0.02 -1.27 -0.15 0.00 -0.16 0.00 0.00 57.90 56.31 2kh2 n TYR 24 Cb 0.10 -0.22 -0.15 0.00 -0.31 0.00 0.00 39.34 38.76 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 -2.08 0.25 -0.02 -0.72 2.12 -1.10 -4.34 118.70 112.81 2kh2 s GLU 25 Ca 0.37 -0.04 0.07 0.00 0.36 0.00 0.00 54.97 55.73 2kh2 s GLU 25 Cb 0.38 -0.31 -0.02 0.00 0.26 0.00 0.00 34.13 34.44 2kh2 s GLU 25 CO -0.09 -0.01 -0.23 -0.51 -0.54 0.00 0.00 175.26 173.87 2kh2 s LEU 26 N 0.33 2.04 0.14 2.70 1.43 -1.26 -1.05 118.68 123.00 2kh2 s LEU 26 Ca -0.03 -0.43 0.09 0.00 -1.03 0.00 0.00 54.13 52.72 2kh2 s LEU 26 Cb -0.06 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 2kh2 s LEU 26 CO -0.01 0.28 -0.20 -0.54 0.23 0.00 0.00 176.35 176.11 2kh2 s LYS 27 N -0.48 1.22 -0.25 1.70 1.02 -0.22 -1.89 119.74 120.85 2kh2 s LYS 27 Ca 0.07 -1.30 -0.02 0.00 0.02 0.00 0.00 55.97 54.74 2kh2 s LYS 27 Cb -0.10 -1.39 0.02 0.00 -0.52 0.00 0.00 37.83 35.84 2kh2 s LYS 27 CO -0.00 0.30 -0.05 0.00 -0.92 0.00 0.00 175.35 174.68 2kh2 s ALA 28 N -1.62 2.73 0.12 5.17 0.00 0.48 -0.24 121.76 128.39 2kh2 s ALA 28 Ca 0.12 -1.43 -0.13 0.00 0.00 0.00 0.00 51.96 50.52 2kh2 s ALA 28 Cb -0.08 -1.71 0.02 0.00 0.00 0.00 0.00 23.12 21.35 2kh2 s ALA 28 CO 0.06 -0.77 0.32 -0.48 0.00 0.00 0.00 175.76 174.88 2kh2 s LEU 29 N 1.35 0.83 0.35 0.00 0.05 -0.23 -3.46 118.68 117.56 2kh2 s LEU 29 Ca 0.01 -0.49 -0.28 0.00 0.05 0.00 0.00 54.13 53.42 2kh2 s LEU 29 Cb -0.16 1.50 -0.11 0.00 -2.05 0.00 0.00 46.19 45.37 2kh2 s LEU 29 CO -0.04 -0.81 1.38 -1.00 -0.55 0.00 0.00 176.35 175.32 2kh2 s HIS 30 N -3.84 2.87 -0.09 3.48 3.76 -1.26 0.12 115.29 120.32 2kh2 s HIS 30 Ca 0.05 1.32 -0.01 0.00 -0.15 0.00 0.00 55.06 56.27 2kh2 s HIS 30 Cb 0.03 -3.81 0.03 0.00 1.11 0.00 0.00 32.58 29.93 2kh2 s HIS 30 CO -0.11 -2.30 -0.03 -1.17 -0.85 0.00 0.00 174.74 170.28 2kh2 s LEU 31 N -1.90 0.88 0.00 0.89 2.96 -1.26 -4.86 118.68 115.39 2kh2 s LEU 31 Ca 0.50 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.21 2kh2 s LEU 31 Cb -0.42 -0.63 0.00 0.00 0.50 0.00 0.00 46.19 45.63 2kh2 s LEU 31 CO 0.57 -0.16 0.00 0.00 -1.32 0.00 0.00 176.35 175.44 2kh2 n GLN 32 N 5.05 0.00 0.00 1.98 6.02 -1.26 -4.94 117.38 124.23 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 0.50 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 1.73 0.05 1.08 0.00 -1.26 -3.13 105.19 103.66 2kh2 n GLY 33 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 12.77 1.42 -0.34 1.61 -0.06 -1.26 -4.63 117.38 126.88 2kh2 n GLN 34 Ca 0.00 -1.14 0.03 0.00 -2.00 0.00 0.00 57.00 53.89 2kh2 n GLN 34 Cb 0.00 -1.02 0.16 0.00 -4.06 0.00 0.00 30.24 25.32 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 -0.22 2.77 0.30 1.69 9.92 -1.18 -4.21 116.55 125.61 2kh2 n ASP 35 Ca 0.01 -2.33 0.16 0.00 -0.53 0.00 0.00 54.79 52.10 2kh2 n ASP 35 Cb 0.17 -0.53 0.94 0.00 -0.64 0.00 0.00 41.12 41.06 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 1.65 0.00 0.00 -1.24 4.05 -1.82 -1.76 114.93 115.81 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 1.02 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.82 2kh2 h MET 36 CO 0.18 0.02 0.00 0.39 0.23 0.00 0.00 176.91 177.72 2kh2 n GLU 37 N -3.70 0.08 0.00 0.39 -0.58 -1.26 -1.78 120.64 113.79 2kh2 n GLU 37 Ca -0.03 0.44 0.14 0.00 -0.42 0.00 0.00 57.16 57.29 2kh2 n GLU 37 Cb 0.10 -1.70 0.83 0.00 -0.57 0.00 0.00 31.44 30.09 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 -1.87 0.83 -2.01 3.49 6.02 -0.66 -4.85 117.38 118.33 2kh2 n GLN 38 Ca 0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.60 2kh2 n GLN 38 Cb 0.12 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.86 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 -2.06 4.27 -0.11 -1.09 -2.07 -0.74 -4.75 119.66 113.11 2kh2 s GLN 39 Ca 0.41 2.32 -0.14 0.00 -1.82 0.00 0.00 55.36 56.13 2kh2 s GLN 39 Cb 0.19 -3.06 -0.05 0.00 -1.09 0.00 0.00 33.01 29.00 2kh2 s GLN 39 CO 0.34 -0.34 0.32 0.08 -1.32 0.00 0.00 175.29 174.37 2kh2 s VAL 40 N -0.71 5.24 -0.17 3.63 1.01 -1.23 -5.07 120.40 123.10 2kh2 s VAL 40 Ca 0.54 0.63 -0.08 0.00 0.00 0.00 0.00 61.98 63.06 2kh2 s VAL 40 Cb -0.42 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 2kh2 s VAL 40 CO 0.51 0.47 0.12 -0.69 0.00 0.00 0.00 175.10 175.51 2kh2 s VAL 41 N -0.14 5.32 -0.13 2.92 1.01 -1.26 -4.71 120.40 123.41 2kh2 s VAL 41 Ca 0.19 0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.29 2kh2 s VAL 41 Cb -0.14 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 2kh2 s VAL 41 CO 0.07 0.50 0.00 -0.36 0.00 0.00 0.00 175.10 175.32 2kh2 s PHE 42 N -0.12 3.14 -0.22 5.22 0.08 -0.43 -0.91 117.98 124.73 2kh2 s PHE 42 Ca 0.10 0.00 -0.16 0.00 0.12 0.00 0.00 56.93 57.00 2kh2 s PHE 42 Cb -0.11 -1.91 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 2kh2 s PHE 42 CO 0.00 0.23 0.39 -1.12 -0.10 0.00 0.00 175.22 174.62 2kh2 s SER 43 N -0.19 6.38 -0.46 1.36 0.01 0.12 -2.10 113.70 118.82 2kh2 s SER 43 Ca 0.05 0.44 -0.12 0.00 1.31 0.00 0.00 55.95 57.64 2kh2 s SER 43 Cb -0.12 -2.22 0.09 0.00 0.21 0.00 0.00 66.02 63.97 2kh2 s SER 43 CO 0.02 -0.11 0.34 -0.04 0.41 0.00 0.00 173.24 173.86 2kh2 s MET 44 N 1.56 2.71 0.14 12.44 1.00 0.91 -1.93 119.30 136.13 2kh2 s MET 44 Ca 0.18 -1.54 -0.24 0.00 0.00 0.00 0.00 55.69 54.09 2kh2 s MET 44 Cb -0.15 -3.96 -0.08 0.00 0.00 0.00 0.00 34.83 30.64 2kh2 s MET 44 CO 0.08 -1.08 0.72 -1.12 0.00 0.00 0.00 175.02 173.62 2kh2 s SER 45 N 2.55 7.30 -0.43 3.03 0.01 -1.06 -1.47 113.70 123.64 2kh2 s SER 45 Ca 0.04 1.54 -0.24 0.00 1.31 0.00 0.00 55.95 58.60 2kh2 s SER 45 Cb -0.25 -2.46 0.02 0.00 0.21 0.00 0.00 66.02 63.54 2kh2 s SER 45 CO 0.03 0.23 0.82 0.12 0.41 0.00 0.00 173.24 174.84 2kh2 s PHE 46 N -1.13 3.01 0.53 2.43 5.36 0.32 -0.57 117.98 127.93 2kh2 s PHE 46 Ca 0.34 0.34 0.06 0.00 -0.96 0.00 0.00 56.93 56.70 2kh2 s PHE 46 Cb -0.22 -3.66 0.03 0.00 -0.34 0.00 0.00 43.02 38.83 2kh2 s PHE 46 CO 0.24 -0.94 0.38 0.14 -1.46 0.00 0.00 175.22 173.59 2kh2 s VAL 47 N 3.35 1.74 -0.14 3.12 -7.23 -0.98 -4.47 120.40 115.80 2kh2 s VAL 47 Ca 0.32 -1.50 -0.04 0.00 -1.81 0.00 0.00 61.98 58.95 2kh2 s VAL 47 Cb -0.12 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 2kh2 s VAL 47 CO 0.22 0.00 0.00 -1.10 -0.31 0.00 0.00 175.10 173.91 2kh2 s GLN 48 N -4.24 3.49 0.00 4.82 1.11 -1.25 -4.65 119.66 118.94 2kh2 s GLN 48 Ca 0.35 -0.43 0.00 0.00 0.01 0.00 0.00 55.36 55.29 2kh2 s GLN 48 Cb -0.02 -2.95 0.00 0.00 -1.01 0.00 0.00 33.01 29.03 2kh2 s GLN 48 CO 0.21 0.43 0.00 0.41 0.01 0.00 0.00 175.29 176.35 2kh2 n GLY 49 N 2.99 -0.31 3.57 3.09 0.00 -1.26 -4.96 105.19 108.31 2kh2 n GLY 49 Ca -0.18 0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 2kh2 n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kh2 s GLU 50 N 0.00 2.73 -0.13 1.61 8.01 -1.26 -4.93 118.70 124.73 2kh2 s GLU 50 Ca 0.00 -0.90 -0.04 0.00 0.01 0.00 0.00 54.97 54.05 2kh2 s GLU 50 Cb 0.00 -5.21 -0.03 0.00 -4.31 0.00 0.00 34.13 24.58 2kh2 s GLU 50 CO 0.00 -3.46 0.00 -1.21 0.01 0.00 0.00 175.26 170.60 2kh2 s GLU 51 N 6.37 3.41 0.00 1.61 2.02 -1.26 -3.40 118.70 127.45 2kh2 s GLU 51 Ca 0.66 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 55.23 2kh2 s GLU 51 Cb -0.03 -2.93 0.00 0.00 0.10 0.00 0.00 34.13 31.28 2kh2 s GLU 51 CO 0.06 0.47 0.00 -1.13 0.02 0.00 0.00 175.26 174.68 2kh2 n SER 52 N 2.86 0.00 -0.04 -0.19 3.41 -0.25 -4.95 113.62 114.45 2kh2 n SER 52 Ca -0.18 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.55 2kh2 n SER 52 Cb 0.53 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.77 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 0.00 0.56 0.00 4.04 5.15 -1.26 -4.37 115.26 119.38 2kh2 n ASN 53 Ca 0.00 -0.33 0.00 0.00 -0.60 0.00 0.00 54.58 53.65 2kh2 n ASN 53 Cb 0.00 0.20 0.00 0.00 -0.53 0.00 0.00 39.78 39.45 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 -1.36 2.88 -4.70 1.20 5.75 -1.26 -4.97 116.55 114.09 2kh2 n ASP 54 Ca 0.07 0.00 -0.36 0.00 -0.01 0.00 0.00 54.79 54.49 2kh2 n ASP 54 Cb 0.34 0.20 -0.08 0.00 -1.03 0.00 0.00 41.12 40.54 2kh2 n ASP 54 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2kh2 s LYS 55 N -1.62 4.17 -0.09 0.11 2.20 -1.26 -1.88 119.74 121.36 2kh2 s LYS 55 Ca 0.00 -0.12 0.01 0.00 -0.36 0.00 0.00 55.97 55.50 2kh2 s LYS 55 Cb 0.00 -3.47 0.02 0.00 -1.51 0.00 0.00 37.83 32.87 2kh2 s LYS 55 CO 0.00 0.17 -0.10 0.42 -0.36 0.00 0.00 175.35 175.48 2kh2 s ILE 56 N 0.72 1.09 -0.37 5.43 -1.09 -0.96 -1.09 121.20 124.92 2kh2 s ILE 56 Ca 0.11 -0.38 -0.29 0.00 -2.23 0.00 0.00 60.65 57.86 2kh2 s ILE 56 Cb -0.13 -1.06 0.02 0.00 -1.58 0.00 0.00 42.46 39.72 2kh2 s ILE 56 CO 0.02 0.37 1.08 -2.16 -1.23 0.00 0.00 174.94 173.02 2kh2 s PRO 57 N 1.25 3.93 0.12 2.79 0.04 -1.22 -0.96 135.00 140.95 2kh2 s PRO 57 Ca -0.03 0.86 0.02 0.00 0.04 0.00 0.00 61.00 61.88 2kh2 s PRO 57 Cb -0.14 -3.80 -0.04 0.00 0.04 0.00 0.00 34.50 30.56 2kh2 s PRO 57 CO -0.03 -1.06 -0.05 0.14 0.04 0.00 0.00 177.00 176.03 2kh2 s VAL 58 N 3.88 0.73 0.13 -0.36 -7.23 0.17 -2.32 120.40 115.40 2kh2 s VAL 58 Ca 0.45 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.70 2kh2 s VAL 58 Cb -0.11 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 2kh2 s VAL 58 CO 0.21 -0.77 0.17 0.00 -0.31 0.00 0.00 175.10 174.40 2kh2 s ALA 59 N -3.61 3.73 -0.29 1.32 0.00 0.27 -0.11 121.76 123.07 2kh2 s ALA 59 Ca 0.15 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 51.05 2kh2 s ALA 59 Cb 0.05 -1.55 0.08 0.00 0.00 0.00 0.00 23.12 21.71 2kh2 s ALA 59 CO -0.02 0.61 0.02 -0.51 0.00 0.00 0.00 175.76 175.85 2kh2 s LEU 60 N -2.91 3.29 0.31 0.00 1.43 -1.26 -2.55 118.68 116.99 2kh2 s LEU 60 Ca 0.32 -1.64 0.04 0.00 -1.03 0.00 0.00 54.13 51.82 2kh2 s LEU 60 Cb -0.11 -1.27 -0.06 0.00 0.03 0.00 0.00 46.19 44.77 2kh2 s LEU 60 CO 0.25 -0.33 0.04 -0.83 0.23 0.00 0.00 176.35 175.71 2kh2 s GLY 61 N 1.26 1.98 0.16 -3.19 0.00 -0.81 -0.45 107.32 106.27 2kh2 s GLY 61 Ca 0.04 -2.01 -0.26 0.00 0.00 0.00 0.00 44.72 42.49 2kh2 s GLY 61 CO -0.12 -1.79 0.81 1.08 0.00 0.00 0.00 173.10 173.08 2kh2 s LEU 62 N -3.46 4.58 -0.23 0.66 1.02 0.10 0.14 118.68 121.48 2kh2 s LEU 62 Ca 0.35 1.67 -0.38 0.00 0.02 0.00 0.00 54.13 55.79 2kh2 s LEU 62 Cb 0.08 -3.35 -0.14 0.00 0.02 0.00 0.00 46.19 42.80 2kh2 s LEU 62 CO 0.14 0.16 1.83 1.17 0.02 0.00 0.00 176.35 179.68 2kh2 n LYS 63 N 1.82 1.46 -3.05 1.70 4.81 -0.09 -1.33 118.16 123.47 2kh2 n LYS 63 Ca -0.04 0.52 -0.21 0.00 -0.87 0.00 0.00 58.31 57.72 2kh2 n LYS 63 Cb 0.49 -2.30 0.01 0.00 0.02 0.00 0.00 35.03 33.24 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 6.07 -3.48 -4.14 1.64 0.28 -1.26 -4.97 120.64 114.78 2kh2 n GLU 64 Ca 0.27 0.62 -0.15 0.00 -0.16 0.00 0.00 57.16 57.74 2kh2 n GLU 64 Cb 0.19 -5.35 -0.11 0.00 1.43 0.00 0.00 31.44 27.60 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 -5.70 0.74 -0.07 3.44 1.02 -0.44 -5.02 119.74 113.71 2kh2 s LYS 65 Ca 0.28 -0.95 0.07 0.00 0.02 0.00 0.00 55.97 55.38 2kh2 s LYS 65 Cb -0.14 -0.57 0.32 0.00 -0.52 0.00 0.00 37.83 36.92 2kh2 s LYS 65 CO 0.34 0.11 1.08 0.27 -0.92 0.00 0.00 175.35 176.24 2kh2 n ASN 66 N 1.12 2.55 -4.59 2.83 6.94 -1.26 -4.39 115.26 118.47 2kh2 n ASN 66 Ca -0.20 -2.27 -0.40 0.00 -0.02 0.00 0.00 54.58 51.69 2kh2 n ASN 66 Cb 0.55 -0.46 -0.08 0.00 -2.36 0.00 0.00 39.78 37.43 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 -1.10 4.19 0.09 -4.53 1.43 -1.26 -1.19 118.68 116.31 2kh2 s LEU 67 Ca 0.22 0.18 0.08 0.00 -1.03 0.00 0.00 54.13 53.58 2kh2 s LEU 67 Cb 0.15 -2.52 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 2kh2 s LEU 67 CO 0.09 -0.32 -0.21 -0.31 0.23 0.00 0.00 176.35 175.82 2kh2 s TYR 68 N 2.23 1.83 -0.03 0.29 1.51 -0.53 -0.73 117.35 121.91 2kh2 s TYR 68 Ca 0.17 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.53 2kh2 s TYR 68 Cb -0.16 -1.03 -0.05 0.00 -0.11 0.00 0.00 41.96 40.62 2kh2 s TYR 68 CO 0.11 0.18 1.37 -0.51 -1.11 0.00 0.00 175.55 175.59 2kh2 s LEU 69 N -1.69 4.30 -0.02 -1.29 1.43 0.40 -0.98 118.68 120.82 2kh2 s LEU 69 Ca 0.07 2.03 0.07 0.00 -1.03 0.00 0.00 54.13 55.27 2kh2 s LEU 69 Cb -0.10 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 2kh2 s LEU 69 CO 0.04 -0.72 -0.24 -0.55 0.23 0.00 0.00 176.35 175.11 2kh2 s SER 70 N 1.94 2.82 -0.35 2.29 0.15 0.10 -4.56 113.70 116.09 2kh2 s SER 70 Ca 0.62 -0.44 -0.09 0.00 0.70 0.00 0.00 55.95 56.74 2kh2 s SER 70 Cb -0.29 -0.40 0.03 0.00 -1.71 0.00 0.00 66.02 63.64 2kh2 s SER 70 CO 0.25 0.28 0.16 0.00 1.20 0.00 0.00 173.24 175.13 2kh2 s VAL 72 N 1.51 0.70 -0.25 0.00 -7.23 -0.71 -4.73 120.40 109.68 2kh2 s VAL 72 Ca 0.01 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.06 2kh2 s VAL 72 Cb -0.19 -2.34 -0.05 0.00 0.56 0.00 0.00 36.38 34.37 2kh2 s VAL 72 CO 0.05 -0.28 0.25 -0.76 -0.31 0.00 0.00 175.10 174.05 2kh2 s LEU 73 N -3.25 4.08 -0.26 1.32 1.43 -1.26 0.31 118.68 121.06 2kh2 s LEU 73 Ca 0.30 0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.60 2kh2 s LEU 73 Cb 0.07 -2.23 0.06 0.00 0.03 0.00 0.00 46.19 44.11 2kh2 s LEU 73 CO 0.08 -0.04 -0.11 -0.54 0.23 0.00 0.00 176.35 175.97 2kh2 s LYS 74 N 1.49 2.26 -0.98 1.70 1.02 0.61 -4.73 119.74 121.11 2kh2 s LYS 74 Ca 0.11 -1.32 -0.04 0.00 0.02 0.00 0.00 55.97 54.73 2kh2 s LYS 74 Cb -0.15 -2.87 -0.05 0.00 -0.52 0.00 0.00 37.83 34.24 2kh2 s LYS 74 CO 0.08 -0.55 0.85 -3.47 -0.92 0.00 0.00 175.35 171.33 2kh2 n ASP 75 N 4.44 -5.05 -1.67 2.83 -0.08 -1.26 -2.83 116.55 112.94 2kh2 n ASP 75 Ca -0.14 -0.62 -0.18 0.00 -1.51 0.00 0.00 54.79 52.34 2kh2 n ASP 75 Cb 0.42 -4.73 -0.06 0.00 2.34 0.00 0.00 41.12 39.09 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 -3.02 -4.76 -3.77 1.67 9.92 -1.26 -4.96 116.55 110.37 2kh2 n ASP 76 Ca -0.12 0.38 -0.18 0.00 -0.53 0.00 0.00 54.79 54.33 2kh2 n ASP 76 Cb 0.62 -4.23 -0.17 0.00 -0.64 0.00 0.00 41.12 36.71 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 -3.76 0.21 0.08 -1.24 2.47 -1.13 -5.12 119.74 111.25 2kh2 s LYS 77 Ca 0.00 0.17 -0.31 0.00 -1.56 0.00 0.00 55.97 54.27 2kh2 s LYS 77 Cb 0.00 -0.53 -0.09 0.00 -1.46 0.00 0.00 37.83 35.75 2kh2 s LYS 77 CO 0.00 -0.21 1.78 -2.14 0.16 0.00 0.00 175.35 174.94 2kh2 s PRO 78 N 1.44 4.16 0.04 4.03 0.02 -1.26 -0.29 135.00 143.14 2kh2 s PRO 78 Ca -0.04 2.49 0.02 0.00 0.02 0.00 0.00 61.00 63.49 2kh2 s PRO 78 Cb -0.13 -3.70 -0.02 0.00 0.02 0.00 0.00 34.50 30.67 2kh2 s PRO 78 CO -0.03 -0.82 -0.07 0.99 -0.33 0.00 0.00 177.00 176.73 2kh2 s THR 79 N 3.02 0.51 0.14 0.99 2.01 0.15 -4.71 115.64 117.75 2kh2 s THR 79 Ca 0.79 -1.07 -0.10 0.00 0.31 0.00 0.00 61.69 61.63 2kh2 s THR 79 Cb -0.43 -0.58 -0.06 0.00 0.01 0.00 0.00 72.50 71.44 2kh2 s THR 79 CO 0.35 -0.39 0.47 -0.22 -0.69 0.00 0.00 174.62 174.14 2kh2 s LEU 80 N -1.57 4.29 0.35 4.42 2.96 -1.26 -1.75 118.68 126.13 2kh2 s LEU 80 Ca -0.10 0.86 -0.13 0.00 -0.22 0.00 0.00 54.13 54.54 2kh2 s LEU 80 Cb -0.10 -3.26 0.03 0.00 0.50 0.00 0.00 46.19 43.36 2kh2 s LEU 80 CO 0.00 0.08 0.68 0.00 -1.32 0.00 0.00 176.35 175.79 2kh2 s GLN 81 N -2.24 2.05 -0.14 1.98 -2.07 -0.07 -4.91 119.66 114.26 2kh2 s GLN 81 Ca 0.39 -1.45 -0.02 0.00 -1.82 0.00 0.00 55.36 52.45 2kh2 s GLN 81 Cb -0.13 0.57 -0.02 0.00 -1.09 0.00 0.00 33.01 32.33 2kh2 s GLN 81 CO 0.20 -0.93 -0.06 -0.51 -1.32 0.00 0.00 175.29 172.67 2kh2 s LEU 82 N -3.09 3.11 -0.06 2.60 2.01 -1.26 0.00 118.68 121.99 2kh2 s LEU 82 Ca 0.19 -0.16 0.06 0.00 0.01 0.00 0.00 54.13 54.23 2kh2 s LEU 82 Cb -0.04 -1.73 -0.01 0.00 0.01 0.00 0.00 46.19 44.43 2kh2 s LEU 82 CO 0.13 0.19 -0.24 -1.61 1.01 0.00 0.00 176.35 175.84 2kh2 s GLU 83 N 0.20 2.51 -0.85 1.70 2.02 -0.16 -4.92 118.70 119.20 2kh2 s GLU 83 Ca -0.04 -0.86 -0.20 0.00 0.02 0.00 0.00 54.97 53.90 2kh2 s GLU 83 Cb -0.14 -2.09 0.11 0.00 0.10 0.00 0.00 34.13 32.11 2kh2 s GLU 83 CO 0.03 0.33 1.08 -1.12 0.02 0.00 0.00 175.26 175.61 2kh2 s SER 84 N -0.06 6.50 0.62 -0.19 0.01 -1.26 -1.46 113.70 117.86 2kh2 s SER 84 Ca -0.06 -1.75 -0.07 0.00 1.31 0.00 0.00 55.95 55.38 2kh2 s SER 84 Cb -0.14 -2.40 0.01 0.00 0.21 0.00 0.00 66.02 63.70 2kh2 s SER 84 CO 0.04 -1.17 0.95 0.68 0.41 0.00 0.00 173.24 174.15 2kh2 s VAL 85 N 3.09 3.55 -0.10 3.43 -7.23 -0.33 -4.98 120.40 117.82 2kh2 s VAL 85 Ca 0.30 0.09 -0.31 0.00 -1.81 0.00 0.00 61.98 60.25 2kh2 s VAL 85 Cb -0.08 -3.43 -0.09 0.00 0.56 0.00 0.00 36.38 33.34 2kh2 s VAL 85 CO -0.04 -0.47 2.05 -0.67 -0.31 0.00 0.00 175.10 175.65 2kh2 n ASP 86 N -2.69 3.57 0.29 4.85 4.64 -1.26 -4.82 116.55 121.14 2kh2 n ASP 86 Ca 0.05 0.66 0.16 0.00 -1.38 0.00 0.00 54.79 54.28 2kh2 n ASP 86 Cb 0.58 -1.48 0.89 0.00 -1.04 0.00 0.00 41.12 40.06 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 11.82 0.00 0.00 -0.67 0.13 -1.92 -1.54 132.00 139.81 2kh2 h PRO 87 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2kh2 h PRO 87 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2kh2 h PRO 87 CO 0.95 0.05 -1.10 0.36 -0.23 0.00 0.00 178.00 178.03 2kh2 n LYS 88 N -3.60 0.34 -0.06 0.86 2.85 -1.26 -4.05 118.16 113.23 2kh2 n LYS 88 Ca -0.02 -0.01 0.09 0.00 -1.05 0.00 0.00 58.31 57.32 2kh2 n LYS 88 Cb 0.15 -1.61 0.11 0.00 -0.65 0.00 0.00 35.03 33.04 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 -2.04 2.70 -4.01 -5.58 3.02 -0.80 -4.96 115.26 103.59 2kh2 n ASN 89 Ca 0.01 -1.80 -0.15 0.00 -0.03 0.00 0.00 54.58 52.61 2kh2 n ASN 89 Cb 0.45 -0.08 -0.13 0.00 -0.61 0.00 0.00 39.78 39.41 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 -1.38 0.63 0.90 3.10 1.51 -0.65 -4.39 117.35 117.07 2kh2 s TYR 90 Ca 0.24 -0.26 -0.13 0.00 -1.01 0.00 0.00 57.07 55.92 2kh2 s TYR 90 Cb 0.16 -0.39 0.17 0.00 -0.11 0.00 0.00 41.96 41.79 2kh2 s TYR 90 CO 0.23 -0.03 1.24 -1.25 -1.11 0.00 0.00 175.55 174.63 2kh2 s PRO 91 N -0.72 0.96 0.15 -1.71 0.04 -1.26 -4.78 135.00 127.68 2kh2 s PRO 91 Ca -0.02 -0.51 -0.05 0.00 0.04 0.00 0.00 61.00 60.46 2kh2 s PRO 91 Cb -0.05 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 2kh2 s PRO 91 CO 0.00 -2.15 0.17 -1.59 0.04 0.00 0.00 177.00 173.48 2kh2 s LYS 92 N -5.71 1.04 0.16 4.56 -2.85 -1.26 -5.06 119.74 110.63 2kh2 s LYS 92 Ca 0.71 -1.30 -0.15 0.00 -1.00 0.00 0.00 55.97 54.23 2kh2 s LYS 92 Cb -0.05 0.31 0.06 0.00 -2.06 0.00 0.00 37.83 36.09 2kh2 s LYS 92 CO 0.51 -0.34 1.80 -0.22 0.10 0.00 0.00 175.35 177.19 2kh2 h LYS 93 N 2.70 0.47 -4.85 1.78 1.63 -1.93 -3.38 116.57 113.00 2kh2 h LYS 93 Ca -0.33 -0.03 -0.67 0.00 -0.85 0.00 0.00 60.65 58.76 2kh2 h LYS 93 Cb 1.21 -0.11 -0.35 0.00 -0.60 0.00 0.00 32.23 32.38 2kh2 h LYS 93 CO 0.53 0.31 -0.77 0.21 -3.45 0.00 0.00 179.45 176.29 2kh2 s LYS 94 N -6.15 2.36 0.27 1.90 2.47 -1.26 -3.89 119.74 115.43 2kh2 s LYS 94 Ca -0.13 -1.29 0.06 0.00 -1.56 0.00 0.00 55.97 53.05 2kh2 s LYS 94 Cb 0.12 -2.98 -0.03 0.00 -1.46 0.00 0.00 37.83 33.48 2kh2 s LYS 94 CO 0.72 -0.57 0.34 -1.64 0.16 0.00 0.00 175.35 174.37 2kh2 s MET 95 N 1.17 3.18 0.45 4.03 -1.94 -1.26 -5.07 119.30 119.86 2kh2 s MET 95 Ca -0.07 -0.93 -0.24 0.00 -1.71 0.00 0.00 55.69 52.73 2kh2 s MET 95 Cb -0.20 -2.76 -0.09 0.00 2.01 0.00 0.00 34.83 33.80 2kh2 s MET 95 CO -0.04 0.32 1.29 0.39 -0.01 0.00 0.00 175.02 176.97 2kh2 n GLU 96 N -1.40 1.88 0.34 2.03 4.71 -1.26 -4.85 120.64 122.10 2kh2 n GLU 96 Ca -0.06 0.67 0.22 0.00 -0.01 0.00 0.00 57.16 57.98 2kh2 n GLU 96 Cb 0.58 -2.43 1.16 0.00 -1.01 0.00 0.00 31.44 29.73 2kh2 n GLU 96 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 2kh2 h LYS 97 N 1.93 0.00 -0.00 3.49 1.57 -1.97 0.88 116.57 122.47 2kh2 h LYS 97 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2kh2 h LYS 97 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 2kh2 h LYS 97 CO 0.59 0.00 -0.03 2.89 -0.57 0.00 0.00 179.45 182.33 2kh2 n ARG 98 N -3.05 0.12 -0.03 3.15 1.85 -1.26 -2.98 116.66 114.46 2kh2 n ARG 98 Ca -0.03 -0.01 0.05 0.00 -1.00 0.00 0.00 57.85 56.86 2kh2 n ARG 98 Cb 0.12 -1.50 0.06 0.00 -1.05 0.00 0.00 32.46 30.10 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 -1.43 0.09 -3.61 2.89 3.72 0.29 -0.72 117.46 118.69 2kh2 n PHE 99 Ca 0.09 -0.10 -0.37 0.00 -0.05 0.00 0.00 57.45 57.02 2kh2 n PHE 99 Cb 0.32 -0.01 -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 -0.88 5.33 0.14 -4.37 1.01 -1.13 -4.17 120.40 116.33 2kh2 s VAL 100 Ca 0.14 0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.49 2kh2 s VAL 100 Cb 0.09 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 2kh2 s VAL 100 CO 0.13 0.33 -0.12 -0.36 0.00 0.00 0.00 175.10 175.09 2kh2 s PHE 101 N 1.05 2.64 -0.32 5.22 0.40 0.84 -1.69 117.98 126.12 2kh2 s PHE 101 Ca 0.10 -0.21 -0.06 0.00 -0.60 0.00 0.00 56.93 56.15 2kh2 s PHE 101 Cb -0.14 -1.34 0.03 0.00 0.51 0.00 0.00 43.02 42.08 2kh2 s PHE 101 CO 0.05 0.46 0.09 -0.80 0.70 0.00 0.00 175.22 175.71 2kh2 s ASN 102 N -2.48 5.22 -0.62 1.36 0.02 0.23 -0.66 114.94 118.02 2kh2 s ASN 102 Ca 0.22 -1.03 -0.24 0.00 -1.02 0.00 0.00 52.86 50.78 2kh2 s ASN 102 Cb -0.10 -1.86 0.05 0.00 0.02 0.00 0.00 41.25 39.36 2kh2 s ASN 102 CO 0.13 -0.29 1.02 -0.75 0.02 0.00 0.00 177.10 177.24 2kh2 s LYS 103 N 1.42 3.24 0.17 -0.60 2.20 -0.14 -0.98 119.74 125.05 2kh2 s LYS 103 Ca -0.01 -0.44 -0.20 0.00 -0.36 0.00 0.00 55.97 54.96 2kh2 s LYS 103 Cb -0.19 -4.14 -0.08 0.00 -1.51 0.00 0.00 37.83 31.92 2kh2 s LYS 103 CO 0.02 -1.73 0.68 0.42 -0.36 0.00 0.00 175.35 174.38 2kh2 s ILE 104 N 4.36 4.60 -0.90 5.43 1.01 0.84 -2.27 121.20 134.27 2kh2 s ILE 104 Ca 0.29 1.31 -0.01 0.00 0.00 0.00 0.00 60.65 62.23 2kh2 s ILE 104 Cb -0.13 -3.92 0.22 0.00 0.01 0.00 0.00 42.46 38.65 2kh2 s ILE 104 CO 0.16 0.36 0.79 -0.62 0.00 0.00 0.00 174.94 175.63 2kh2 n GLU 105 N 1.16 2.65 0.09 2.79 -0.58 -0.79 -1.89 120.64 124.08 2kh2 n GLU 105 Ca -0.05 -4.48 -0.13 0.00 -0.42 0.00 0.00 57.16 52.07 2kh2 n GLU 105 Cb 0.51 -2.41 -0.08 0.00 -0.57 0.00 0.00 31.44 28.89 2kh2 n GLU 105 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 2kh2 h ILE 106 N 4.02 0.94 0.00 -3.67 3.07 -1.91 -3.48 117.51 116.48 2kh2 h ILE 106 Ca 0.16 -0.29 0.00 0.00 1.55 0.00 0.00 64.86 66.29 2kh2 h ILE 106 Cb 0.80 1.12 0.00 0.00 -0.27 0.00 0.00 36.82 38.47 2kh2 h ILE 106 CO 0.86 0.07 0.00 -0.46 -1.05 0.00 0.00 178.15 177.57 2kh2 n ASN 107 N -5.11 0.00 -0.00 2.16 0.23 -1.26 -4.99 115.26 106.29 2kh2 n ASN 107 Ca -0.09 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.03 2kh2 n ASN 107 Cb 0.15 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.76 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 1.50 -4.91 0.53 4.05 -1.26 -4.97 115.26 110.20 2kh2 n ASN 108 Ca 0.00 -0.31 -0.28 0.00 0.45 0.00 0.00 54.58 54.43 2kh2 n ASN 108 Cb 0.00 1.35 -0.04 0.00 1.23 0.00 0.00 39.78 42.32 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 -2.59 3.36 0.02 1.20 -0.14 -1.26 -4.86 119.74 115.47 2kh2 s LYS 109 Ca -0.01 -0.57 0.04 0.00 -1.36 0.00 0.00 55.97 54.07 2kh2 s LYS 109 Cb 0.09 -2.95 -0.03 0.00 -1.68 0.00 0.00 37.83 33.25 2kh2 s LYS 109 CO 0.51 0.55 -0.08 -0.51 -0.76 0.00 0.00 175.35 175.06 2kh2 s LEU 110 N -2.91 3.09 -0.10 3.17 1.43 -0.51 -3.68 118.68 119.17 2kh2 s LEU 110 Ca 0.34 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.23 2kh2 s LEU 110 Cb -0.12 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 2kh2 s LEU 110 CO 0.27 0.27 -0.06 -1.61 0.23 0.00 0.00 176.35 175.45 2kh2 s GLU 111 N -1.50 3.11 -0.40 1.70 2.02 -0.79 -0.99 118.70 121.85 2kh2 s GLU 111 Ca 0.17 -0.55 -0.02 0.00 0.02 0.00 0.00 54.97 54.59 2kh2 s GLU 111 Cb -0.11 -2.70 0.11 0.00 0.10 0.00 0.00 34.13 31.53 2kh2 s GLU 111 CO 0.08 0.49 0.19 -0.06 0.02 0.00 0.00 175.26 175.97 2kh2 s PHE 112 N -0.32 3.61 0.24 1.61 0.08 -1.26 -0.11 117.98 121.82 2kh2 s PHE 112 Ca 0.05 -2.50 -0.03 0.00 0.12 0.00 0.00 56.93 54.57 2kh2 s PHE 112 Cb -0.13 -3.19 -0.05 0.00 -0.57 0.00 0.00 43.02 39.09 2kh2 s PHE 112 CO 0.02 -0.97 0.46 -2.00 -0.10 0.00 0.00 175.22 172.64 2kh2 s GLU 113 N 1.09 3.57 -0.07 0.44 2.12 -0.15 -1.79 118.70 123.91 2kh2 s GLU 113 Ca 0.09 -0.18 -0.17 0.00 0.36 0.00 0.00 54.97 55.07 2kh2 s GLU 113 Cb -0.22 -2.76 -0.05 0.00 0.26 0.00 0.00 34.13 31.36 2kh2 s GLU 113 CO -0.05 0.32 0.44 0.45 -0.54 0.00 0.00 175.26 175.89 2kh2 s SER 114 N -3.14 6.73 0.22 -1.70 0.15 -0.13 0.78 113.70 116.62 2kh2 s SER 114 Ca 0.41 0.87 -0.01 0.00 0.70 0.00 0.00 55.95 57.92 2kh2 s SER 114 Cb -0.11 -2.27 0.22 0.00 -1.71 0.00 0.00 66.02 62.15 2kh2 s SER 114 CO 0.29 0.14 1.58 0.00 1.20 0.00 0.00 173.24 176.45 2kh2 h ALA 115 N 5.89 0.84 -0.48 5.45 0.00 -1.53 -3.01 119.26 126.42 2kh2 h ALA 115 Ca -0.45 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 53.88 2kh2 h ALA 115 Cb 1.19 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2kh2 h ALA 115 CO 0.70 0.66 -0.17 0.37 0.00 0.00 0.00 179.25 180.80 2kh2 h GLN 116 N 0.41 0.94 -3.97 0.00 5.75 -1.74 -3.39 115.11 113.10 2kh2 h GLN 116 Ca 0.03 -0.37 -0.63 0.00 -0.15 0.00 0.00 58.65 57.52 2kh2 h GLN 116 Cb 0.96 -0.05 -0.40 0.00 1.07 0.00 0.00 27.48 29.06 2kh2 h GLN 116 CO 0.08 1.03 -0.71 -0.06 -2.65 0.00 0.00 178.83 176.53 2kh2 s PHE 117 N -4.72 3.02 0.28 3.99 0.08 -1.14 -5.08 117.98 114.41 2kh2 s PHE 117 Ca -0.11 -2.73 -0.30 0.00 0.12 0.00 0.00 56.93 53.91 2kh2 s PHE 117 Cb 0.13 -2.54 -0.11 0.00 -0.57 0.00 0.00 43.02 39.92 2kh2 s PHE 117 CO 0.86 -0.87 1.56 -2.14 -0.10 0.00 0.00 175.22 174.53 2kh2 s PRO 118 N 0.71 4.15 0.00 0.24 0.02 -1.22 -2.08 135.00 136.82 2kh2 s PRO 118 Ca 0.13 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.67 2kh2 s PRO 118 Cb -0.21 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.27 2kh2 s PRO 118 CO -0.09 -0.59 0.00 0.09 -0.33 0.00 0.00 177.00 176.08 2kh2 n ASN 119 N 2.22 -2.19 -4.37 2.53 5.03 -1.26 -5.00 115.26 112.22 2kh2 n ASN 119 Ca 0.08 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.15 2kh2 n ASN 119 Cb 0.38 -0.65 -0.12 0.00 -1.02 0.00 0.00 39.78 38.37 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 -2.50 3.18 0.28 3.10 0.52 -0.88 -4.44 118.94 118.21 2kh2 s TRP 120 Ca 0.00 -0.91 0.09 0.00 0.02 0.00 0.00 56.10 55.30 2kh2 s TRP 120 Cb 0.00 -2.31 -0.04 0.00 -1.15 0.00 0.00 33.47 29.96 2kh2 s TRP 120 CO 0.00 -0.57 0.01 0.71 0.02 0.00 0.00 176.95 177.12 2kh2 s TYR 121 N 1.53 2.67 -0.15 -1.98 1.51 0.50 -0.96 117.35 120.47 2kh2 s TYR 121 Ca 0.03 -0.26 -0.29 0.00 -1.01 0.00 0.00 57.07 55.53 2kh2 s TYR 121 Cb -0.18 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.37 2kh2 s TYR 121 CO 0.04 0.58 1.49 0.42 -1.11 0.00 0.00 175.55 176.97 2kh2 s ILE 122 N -2.36 3.88 0.15 2.71 1.01 -0.74 -0.58 121.20 125.27 2kh2 s ILE 122 Ca 0.32 1.04 0.11 0.00 0.00 0.00 0.00 60.65 62.12 2kh2 s ILE 122 Cb -0.05 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 2kh2 s ILE 122 CO 0.20 -0.17 -0.25 -0.44 0.00 0.00 0.00 174.94 174.27 2kh2 s SER 123 N 3.09 3.27 0.04 3.58 0.01 0.02 -4.59 113.70 119.11 2kh2 s SER 123 Ca 0.66 -0.78 0.05 0.00 1.31 0.00 0.00 55.95 57.18 2kh2 s SER 123 Cb -0.26 -0.22 -0.02 0.00 0.21 0.00 0.00 66.02 65.72 2kh2 s SER 123 CO 0.24 0.14 -0.13 0.42 0.41 0.00 0.00 173.24 174.32 2kh2 s THR 124 N -1.29 1.06 0.68 1.44 -4.23 -0.75 -2.77 115.64 109.78 2kh2 s THR 124 Ca 0.16 -0.97 -0.08 0.00 -1.18 0.00 0.00 61.69 59.61 2kh2 s THR 124 Cb -0.09 -0.97 0.04 0.00 1.34 0.00 0.00 72.50 72.82 2kh2 s THR 124 CO 0.07 -0.01 1.01 -0.44 -0.54 0.00 0.00 174.62 174.72 2kh2 s SER 125 N -1.12 5.09 0.24 3.99 0.01 -1.26 -0.12 113.70 120.53 2kh2 s SER 125 Ca 0.01 0.66 0.10 0.00 1.31 0.00 0.00 55.95 58.03 2kh2 s SER 125 Cb -0.08 -1.42 0.24 0.00 0.21 0.00 0.00 66.02 64.97 2kh2 s SER 125 CO 0.01 -1.45 1.54 1.56 0.41 0.00 0.00 173.24 175.32 2kh2 h GLN 126 N -0.54 0.00 -7.19 12.44 1.08 -1.98 -3.45 115.11 115.47 2kh2 h GLN 126 Ca -0.45 -0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.23 2kh2 h GLN 126 Cb 1.29 0.00 0.13 0.00 -0.05 0.00 0.00 27.48 28.85 2kh2 h GLN 126 CO 0.62 0.70 0.38 0.00 -0.95 0.00 0.00 178.83 179.58 2kh2 s ALA 127 N -3.42 2.31 0.28 3.87 0.00 -1.26 -5.01 121.76 118.52 2kh2 s ALA 127 Ca -0.01 0.71 -0.17 0.00 0.00 0.00 0.00 51.96 52.49 2kh2 s ALA 127 Cb 0.12 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 2kh2 s ALA 127 CO 0.78 -1.54 0.74 -2.00 0.00 0.00 0.00 175.76 173.73 2kh2 s GLU 128 N -3.98 4.12 -0.84 0.00 2.56 -1.26 -4.06 118.70 115.25 2kh2 s GLU 128 Ca 0.70 0.77 -0.00 0.00 0.00 0.00 0.00 54.97 56.44 2kh2 s GLU 128 Cb -0.24 -2.63 0.00 0.00 2.00 0.00 0.00 34.13 33.25 2kh2 s GLU 128 CO 0.43 0.26 0.05 -1.71 -0.56 0.00 0.00 175.26 173.72 2kh2 n ASN 129 N 0.13 -3.41 -4.88 -1.70 5.15 -1.22 -5.02 115.26 104.30 2kh2 n ASN 129 Ca 0.01 -0.03 -0.36 0.00 -0.60 0.00 0.00 54.58 53.60 2kh2 n ASN 129 Cb 0.52 -2.62 -0.06 0.00 -0.53 0.00 0.00 39.78 37.10 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 -4.59 3.57 0.98 1.20 -1.94 -1.22 -4.89 119.30 112.40 2kh2 s MET 130 Ca 0.02 -0.05 -0.13 0.00 -1.71 0.00 0.00 55.69 53.82 2kh2 s MET 130 Cb -0.01 -3.14 0.18 0.00 2.01 0.00 0.00 34.83 33.87 2kh2 s MET 130 CO 0.03 0.70 1.14 -1.25 -0.01 0.00 0.00 175.02 175.63 2kh2 s PRO 131 N -1.43 0.59 -0.14 2.03 0.04 -1.26 -0.39 135.00 134.44 2kh2 s PRO 131 Ca 0.23 0.24 -0.12 0.00 0.04 0.00 0.00 61.00 61.39 2kh2 s PRO 131 Cb -0.13 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 2kh2 s PRO 131 CO 0.12 -2.56 0.25 0.08 0.04 0.00 0.00 177.00 174.93 2kh2 s VAL 132 N -3.21 5.33 0.29 -0.36 1.01 -0.79 -4.66 120.40 118.01 2kh2 s VAL 132 Ca 0.66 0.46 0.04 0.00 0.00 0.00 0.00 61.98 63.14 2kh2 s VAL 132 Cb -0.14 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 2kh2 s VAL 132 CO 0.55 0.46 0.26 0.72 0.00 0.00 0.00 175.10 177.09 2kh2 s PHE 133 N 0.00 1.52 -0.17 5.22 -0.12 -1.11 -4.83 117.98 118.49 2kh2 s PHE 133 Ca 0.16 -1.54 -0.07 0.00 -0.05 0.00 0.00 56.93 55.42 2kh2 s PHE 133 Cb -0.13 -0.61 -0.04 0.00 -0.63 0.00 0.00 43.02 41.61 2kh2 s PHE 133 CO 0.04 -0.83 0.08 -1.17 -0.05 0.00 0.00 175.22 173.28 2kh2 s LEU 134 N -3.30 3.92 0.15 -1.99 2.96 -1.26 -0.80 118.68 118.35 2kh2 s LEU 134 Ca 0.39 0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.46 2kh2 s LEU 134 Cb 0.03 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 2kh2 s LEU 134 CO 0.23 0.22 0.02 -0.83 -1.32 0.00 0.00 176.35 174.66 2kh2 s GLY 135 N 0.12 1.09 -0.06 7.98 0.00 0.25 -4.88 107.32 111.82 2kh2 s GLY 135 Ca 0.06 -1.52 0.09 0.00 0.00 0.00 0.00 44.72 43.35 2kh2 s GLY 135 CO 0.00 -1.46 1.06 0.61 0.00 0.00 0.00 173.10 173.32 2kh2 n GLY 136 N -0.17 3.73 2.77 0.20 0.00 -1.26 -0.37 105.19 110.10 2kh2 n GLY 136 Ca -0.07 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 2kh2 n GLY 136 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kh2 n THR 137 N -0.94 5.71 -2.15 2.61 -1.04 -1.26 -4.97 114.28 112.24 2kh2 n THR 137 Ca 0.08 -5.80 -0.42 0.00 -2.04 0.00 0.00 64.05 55.86 2kh2 n THR 137 Cb 0.46 -1.81 -0.03 0.00 -1.82 0.00 0.00 70.33 67.13 2kh2 n THR 137 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2kh2 s LYS 138 N -3.38 4.25 0.00 -2.82 2.20 -1.26 -2.20 119.74 116.54 2kh2 s LYS 138 Ca 0.37 2.05 0.00 0.00 -0.36 0.00 0.00 55.97 58.03 2kh2 s LYS 138 Cb 0.13 -3.62 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 2kh2 s LYS 138 CO -0.03 -0.64 0.00 0.41 -0.36 0.00 0.00 175.35 174.73 2kh2 n GLY 139 N 3.76 0.61 0.00 5.54 0.00 -1.26 -5.03 105.19 108.79 2kh2 n GLY 139 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.73 1.94 0.06 -0.02 0.00 -0.93 -5.02 105.19 98.49 2kh2 n GLY 140 Ca 0.00 -1.69 -0.13 0.00 0.00 0.00 0.00 46.02 44.20 2kh2 n GLY 140 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kh2 h GLN 141 N 0.00 -0.00 -6.73 1.61 7.50 -1.96 -3.44 115.11 112.08 2kh2 h GLN 141 Ca 0.00 0.00 -0.52 0.00 0.50 0.00 0.00 58.65 58.63 2kh2 h GLN 141 Cb 0.00 0.00 0.02 0.00 0.05 0.00 0.00 27.48 27.55 2kh2 h GLN 141 CO 0.00 0.67 0.54 -0.51 -1.50 0.00 0.00 178.83 178.04 2kh2 s ASP 142 N -5.88 7.10 0.12 1.46 1.01 -1.26 -4.69 116.67 114.52 2kh2 s ASP 142 Ca -0.17 2.30 -0.31 0.00 0.71 0.00 0.00 52.55 55.08 2kh2 s ASP 142 Cb -0.00 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.22 2kh2 s ASP 142 CO 0.68 -0.32 1.56 -0.63 0.21 0.00 0.00 175.17 176.67 2kh2 s ILE 143 N -0.52 2.92 0.00 0.77 1.01 0.83 -4.61 121.20 121.59 2kh2 s ILE 143 Ca 0.50 0.56 0.00 0.00 0.00 0.00 0.00 60.65 61.71 2kh2 s ILE 143 Cb -0.33 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 38.78 2kh2 s ILE 143 CO 0.40 0.03 0.84 0.41 0.00 0.00 0.00 174.94 176.61 2kh2 n THR 144 N 4.27 0.69 -4.69 2.92 -1.04 -1.26 -1.82 114.28 113.35 2kh2 n THR 144 Ca 0.14 -0.82 -0.28 0.00 -2.04 0.00 0.00 64.05 61.05 2kh2 n THR 144 Cb 0.40 0.67 -0.14 0.00 -1.82 0.00 0.00 70.33 69.44 2kh2 n THR 144 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 2kh2 s ASP 145 N -0.69 2.90 0.25 8.00 -4.77 -1.26 -4.46 116.67 116.63 2kh2 s ASP 145 Ca 0.00 -0.60 0.02 0.00 -3.30 0.00 0.00 52.55 48.67 2kh2 s ASP 145 Cb 0.00 -0.24 -0.05 0.00 -1.09 0.00 0.00 42.92 41.54 2kh2 s ASP 145 CO 0.00 0.20 0.07 -0.36 0.70 0.00 0.00 175.17 175.77 2kh2 s PHE 146 N -0.87 1.54 0.02 2.11 0.08 -0.16 -3.67 117.98 117.03 2kh2 s PHE 146 Ca 0.10 -1.11 0.05 0.00 0.12 0.00 0.00 56.93 56.10 2kh2 s PHE 146 Cb -0.10 -0.91 -0.03 0.00 -0.57 0.00 0.00 43.02 41.41 2kh2 s PHE 146 CO 0.03 -0.25 -0.13 0.95 -0.10 0.00 0.00 175.22 175.71 2kh2 s THR 147 N -3.66 3.14 -0.33 0.64 -4.23 0.63 -1.42 115.64 110.41 2kh2 s THR 147 Ca 0.35 -0.99 -0.09 0.00 -1.18 0.00 0.00 61.69 59.77 2kh2 s THR 147 Cb 0.07 -2.33 0.01 0.00 1.34 0.00 0.00 72.50 71.59 2kh2 s THR 147 CO 0.12 0.38 0.15 -0.32 -0.54 0.00 0.00 174.62 174.41 2kh2 s MET 148 N -1.38 3.11 -0.35 3.99 1.75 -1.26 -3.05 119.30 122.11 2kh2 s MET 148 Ca 0.15 -0.87 -0.01 0.00 -1.25 0.00 0.00 55.69 53.71 2kh2 s MET 148 Cb -0.11 -3.58 0.09 0.00 2.84 0.00 0.00 34.83 34.07 2kh2 s MET 148 CO 0.06 -0.52 0.10 -0.65 -0.65 0.00 0.00 175.02 173.36 2kh2 s GLN 149 N 1.57 2.08 0.13 4.11 1.11 -0.91 -4.97 119.66 122.77 2kh2 s GLN 149 Ca 0.03 -1.61 -0.31 0.00 0.01 0.00 0.00 55.36 53.48 2kh2 s GLN 149 Cb -0.18 -3.36 -0.08 0.00 -1.01 0.00 0.00 33.01 28.38 2kh2 s GLN 149 CO 0.06 -0.87 1.42 -0.06 0.01 0.00 0.00 175.29 175.85 2kh2 s PHE 150 N 1.14 3.21 0.49 0.91 0.08 -1.26 -0.89 117.98 121.66 2kh2 s PHE 150 Ca 0.03 0.89 0.06 0.00 0.12 0.00 0.00 56.93 58.03 2kh2 s PHE 150 Cb -0.21 -3.73 -0.00 0.00 -0.57 0.00 0.00 43.02 38.51 2kh2 s PHE 150 CO -0.04 -2.58 0.28 0.14 -0.10 0.00 0.00 175.22 172.93 2kh2 s VAL 151 N 1.10 1.88 -1.38 -0.44 -7.23 -1.20 -4.95 120.40 108.19 2kh2 s VAL 151 Ca 0.66 -1.60 -0.15 0.00 -1.81 0.00 0.00 61.98 59.07 2kh2 s VAL 151 Cb -0.38 -2.48 0.07 0.00 0.56 0.00 0.00 36.38 34.14 2kh2 s VAL 151 CO 0.30 0.00 1.99 -1.20 -0.31 0.00 0.00 175.10 175.88 2kh2 n SER 152 N -1.52 4.42 0.00 4.85 7.64 -1.26 -4.90 113.62 122.84 2kh2 n SER 152 Ca -0.03 -2.90 0.00 0.00 1.01 0.00 0.00 58.87 56.95 2kh2 n SER 152 Cb 0.64 -1.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83