#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 0.21 -5.08 0.00 0.13 -2.04 -3.43 132.00 121.79 2kh2 h PRO 2 Ca 0.00 -0.18 -0.61 0.00 -0.87 0.00 0.00 66.00 64.34 2kh2 h PRO 2 Cb 0.00 0.04 -0.33 0.00 0.13 0.00 0.00 31.00 30.84 2kh2 h PRO 2 CO 0.00 0.85 -0.85 0.54 -0.23 0.00 0.00 178.00 178.31 2kh2 s VAL 3 N -3.48 1.66 0.24 1.56 0.11 -1.26 -4.90 120.40 114.33 2kh2 s VAL 3 Ca -0.03 -0.79 0.09 0.00 -2.93 0.00 0.00 61.98 58.31 2kh2 s VAL 3 Cb 0.11 -1.45 -0.04 0.00 -1.53 0.00 0.00 36.38 33.47 2kh2 s VAL 3 CO 0.81 0.47 0.02 -0.13 -3.33 0.00 0.00 175.10 172.94 2kh2 s ARG 4 N 0.40 2.39 -0.05 1.54 0.52 -1.26 -5.00 118.95 117.49 2kh2 s ARG 4 Ca -0.15 -1.30 -0.16 0.00 -0.52 0.00 0.00 55.73 53.60 2kh2 s ARG 4 Cb -0.16 -2.26 0.03 0.00 0.52 0.00 0.00 34.95 33.08 2kh2 s ARG 4 CO 0.06 0.39 0.38 -1.12 0.02 0.00 0.00 175.30 175.03 2kh2 s SER 5 N -3.51 -0.30 0.31 0.23 0.01 -1.26 -1.13 113.70 108.04 2kh2 s SER 5 Ca 0.30 0.35 0.05 0.00 1.31 0.00 0.00 55.95 57.97 2kh2 s SER 5 Cb -0.07 0.47 -0.06 0.00 0.21 0.00 0.00 66.02 66.57 2kh2 s SER 5 CO 0.20 -0.38 -0.00 -1.48 0.41 0.00 0.00 173.24 171.99 2kh2 s LEU 6 N -0.90 2.37 -0.09 2.44 0.05 -0.69 -4.91 118.68 116.96 2kh2 s LEU 6 Ca -0.10 -1.29 0.02 0.00 0.05 0.00 0.00 54.13 52.81 2kh2 s LEU 6 Cb -0.04 -0.53 -0.02 0.00 -2.05 0.00 0.00 46.19 43.55 2kh2 s LEU 6 CO 0.04 -0.47 -0.13 0.20 -0.55 0.00 0.00 176.35 175.43 2kh2 s ASN 7 N -3.47 4.07 0.21 1.48 -0.87 -1.26 -0.20 114.94 114.91 2kh2 s ASN 7 Ca 0.33 -0.24 -0.18 0.00 -1.57 0.00 0.00 52.86 51.20 2kh2 s ASN 7 Cb 0.07 -1.23 0.02 0.00 -0.02 0.00 0.00 41.25 40.09 2kh2 s ASN 7 CO 0.14 0.26 0.55 0.00 -2.57 0.00 0.00 177.10 175.48 2kh2 s THR 9 N -3.90 1.89 -0.23 0.00 2.01 0.53 -0.57 115.64 115.37 2kh2 s THR 9 Ca 0.11 -0.96 -0.09 0.00 0.31 0.00 0.00 61.69 61.06 2kh2 s THR 9 Cb -0.02 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 2kh2 s THR 9 CO 0.00 0.53 0.12 -0.76 -0.69 0.00 0.00 174.62 173.82 2kh2 s LEU 10 N 0.06 3.87 -0.08 4.42 1.43 -1.26 -2.11 118.68 125.02 2kh2 s LEU 10 Ca -0.09 0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.07 2kh2 s LEU 10 Cb -0.15 -2.03 -0.00 0.00 0.03 0.00 0.00 46.19 44.04 2kh2 s LEU 10 CO 0.05 0.05 -0.22 -0.13 0.23 0.00 0.00 176.35 176.33 2kh2 s ARG 11 N 1.13 2.61 0.58 1.70 0.52 -1.26 -4.27 118.95 119.96 2kh2 s ARG 11 Ca 0.06 -0.80 -0.10 0.00 -0.52 0.00 0.00 55.73 54.38 2kh2 s ARG 11 Cb -0.14 -2.07 0.14 0.00 0.52 0.00 0.00 34.95 33.41 2kh2 s ARG 11 CO 0.04 0.22 0.58 -0.40 0.02 0.00 0.00 175.30 175.76 2kh2 n ASP 12 N 3.37 -1.09 0.07 0.23 3.85 -1.20 -1.79 116.55 119.99 2kh2 n ASP 12 Ca -0.19 -0.95 0.08 0.00 -0.71 0.00 0.00 54.79 53.02 2kh2 n ASP 12 Cb 0.53 -0.51 0.36 0.00 -1.35 0.00 0.00 41.12 40.15 2kh2 n ASP 12 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 2kh2 n SER 13 N -3.79 0.31 -1.00 -1.12 3.41 -1.23 -1.42 113.62 108.78 2kh2 n SER 13 Ca 0.08 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 2kh2 n SER 13 Cb 0.29 -0.65 0.13 0.00 -0.26 0.00 0.00 64.21 63.72 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 -1.86 2.34 -2.27 4.33 1.13 -1.26 -4.95 117.38 114.84 2kh2 n GLN 14 Ca 0.02 -2.00 -0.14 0.00 -1.94 0.00 0.00 57.00 52.94 2kh2 n GLN 14 Cb 0.15 -1.47 -0.01 0.00 0.11 0.00 0.00 30.24 29.02 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 1.37 -1.14 -2.50 -1.09 1.13 -0.51 -4.95 117.38 109.69 2kh2 n GLN 15 Ca 0.15 0.65 -0.30 0.00 -1.94 0.00 0.00 57.00 55.56 2kh2 n GLN 15 Cb 0.60 -4.91 -0.02 0.00 0.11 0.00 0.00 30.24 26.02 2kh2 n GLN 15 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2kh2 s LYS 16 N -4.69 3.75 0.15 -1.09 1.02 -1.26 -4.46 119.74 113.16 2kh2 s LYS 16 Ca 0.01 0.61 0.10 0.00 0.02 0.00 0.00 55.97 56.70 2kh2 s LYS 16 Cb -0.00 -2.26 -0.04 0.00 -0.52 0.00 0.00 37.83 35.01 2kh2 s LYS 16 CO 0.01 -0.23 -0.18 -1.12 -0.92 0.00 0.00 175.35 172.91 2kh2 s SER 17 N -3.51 3.85 -0.17 2.83 0.01 0.12 -3.25 113.70 113.58 2kh2 s SER 17 Ca 0.53 -0.65 -0.20 0.00 1.31 0.00 0.00 55.95 56.95 2kh2 s SER 17 Cb -0.10 -0.51 -0.03 0.00 0.21 0.00 0.00 66.02 65.59 2kh2 s SER 17 CO 0.38 0.15 0.56 -0.76 0.41 0.00 0.00 173.24 173.98 2kh2 s LEU 18 N -2.44 4.19 0.07 2.44 1.43 -1.26 -1.42 118.68 121.68 2kh2 s LEU 18 Ca 0.20 0.80 0.07 0.00 -1.03 0.00 0.00 54.13 54.18 2kh2 s LEU 18 Cb -0.09 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.30 2kh2 s LEU 18 CO 0.11 -0.17 -0.20 0.68 0.23 0.00 0.00 176.35 177.01 2kh2 s VAL 19 N 1.44 1.59 -0.36 -1.59 -7.23 0.78 -1.43 120.40 113.59 2kh2 s VAL 19 Ca 0.27 -1.30 -0.29 0.00 -1.81 0.00 0.00 61.98 58.85 2kh2 s VAL 19 Cb -0.16 -1.42 0.02 0.00 0.56 0.00 0.00 36.38 35.38 2kh2 s VAL 19 CO 0.11 0.07 1.17 -0.04 -0.31 0.00 0.00 175.10 176.09 2kh2 s MET 20 N -1.46 3.91 0.00 4.82 -1.94 -1.26 -0.53 119.30 122.84 2kh2 s MET 20 Ca 0.06 0.97 0.00 0.00 -1.71 0.00 0.00 55.69 55.01 2kh2 s MET 20 Cb -0.09 -3.84 0.00 0.00 2.01 0.00 0.00 34.83 32.91 2kh2 s MET 20 CO 0.03 -1.13 0.00 0.45 -0.01 0.00 0.00 175.02 174.36 2kh2 n SER 21 N 7.44 0.00 -0.95 3.03 2.88 0.59 -4.94 113.62 121.67 2kh2 n SER 21 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2kh2 n SER 21 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 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 2.68 1.67 0.21 0.46 0.00 -1.20 -4.93 105.19 104.08 2kh2 n GLY 22 Ca 0.00 -2.04 0.05 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.30 1.61 0.13 -2.04 -3.24 132.00 128.17 2kh2 h PRO 23 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.89 2kh2 h PRO 23 Cb 0.00 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 30.78 2kh2 h PRO 23 CO 0.00 0.28 -0.96 0.66 -0.23 0.00 0.00 178.00 177.75 2kh2 n TYR 24 N -4.12 0.97 -4.26 1.56 4.01 -1.26 -5.06 117.16 108.99 2kh2 n TYR 24 Ca -0.02 -1.57 -0.18 0.00 -0.16 0.00 0.00 57.90 55.97 2kh2 n TYR 24 Cb 0.33 -0.23 -0.15 0.00 -0.31 0.00 0.00 39.34 38.98 2kh2 n TYR 24 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2kh2 s GLU 25 N -2.54 0.68 -0.03 -0.72 2.12 -1.22 -4.56 118.70 112.42 2kh2 s GLU 25 Ca 0.35 -0.23 0.06 0.00 0.36 0.00 0.00 54.97 55.51 2kh2 s GLU 25 Cb 0.36 -0.66 -0.01 0.00 0.26 0.00 0.00 34.13 34.08 2kh2 s GLU 25 CO -0.07 0.10 -0.23 -0.51 -0.54 0.00 0.00 175.26 174.01 2kh2 s LEU 26 N 0.10 2.03 0.11 2.70 1.43 -1.26 -0.30 118.68 123.49 2kh2 s LEU 26 Ca -0.01 -0.44 0.09 0.00 -1.03 0.00 0.00 54.13 52.74 2kh2 s LEU 26 Cb -0.06 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 2kh2 s LEU 26 CO -0.00 0.25 -0.22 -0.54 0.23 0.00 0.00 176.35 176.08 2kh2 s LYS 27 N -0.35 1.16 -0.18 1.70 1.02 0.32 -1.90 119.74 121.50 2kh2 s LYS 27 Ca 0.04 -1.19 -0.02 0.00 0.02 0.00 0.00 55.97 54.82 2kh2 s LYS 27 Cb -0.11 -1.45 -0.00 0.00 -0.52 0.00 0.00 37.83 35.75 2kh2 s LYS 27 CO 0.01 0.34 -0.11 0.00 -0.92 0.00 0.00 175.35 174.67 2kh2 s ALA 28 N -1.17 2.63 0.07 5.17 0.00 0.86 -0.16 121.76 129.16 2kh2 s ALA 28 Ca 0.08 -1.10 -0.18 0.00 0.00 0.00 0.00 51.96 50.76 2kh2 s ALA 28 Cb -0.10 -1.42 0.04 0.00 0.00 0.00 0.00 23.12 21.63 2kh2 s ALA 28 CO 0.05 -0.21 0.42 -0.48 0.00 0.00 0.00 175.76 175.54 2kh2 s LEU 29 N 1.10 0.36 0.20 0.00 0.05 -0.51 -2.37 118.68 117.50 2kh2 s LEU 29 Ca 0.00 -0.10 -0.32 0.00 0.05 0.00 0.00 54.13 53.77 2kh2 s LEU 29 Cb -0.14 1.81 -0.12 0.00 -2.05 0.00 0.00 46.19 45.69 2kh2 s LEU 29 CO -0.03 -0.74 1.71 -1.00 -0.55 0.00 0.00 176.35 175.74 2kh2 s HIS 30 N -2.94 2.89 -0.49 3.48 3.76 -1.26 0.14 115.29 120.88 2kh2 s HIS 30 Ca -0.02 0.37 0.08 0.00 -0.15 0.00 0.00 55.06 55.33 2kh2 s HIS 30 Cb 0.00 -4.11 0.28 0.00 1.11 0.00 0.00 32.58 29.86 2kh2 s HIS 30 CO -0.06 -4.22 0.69 -0.11 -0.85 0.00 0.00 174.74 170.20 2kh2 n LEU 31 N 4.07 2.00 -4.43 0.89 7.94 -1.26 -4.87 117.00 121.34 2kh2 n LEU 31 Ca 0.16 -5.13 -0.41 0.00 -1.11 0.00 0.00 56.01 49.53 2kh2 n LEU 31 Cb 0.36 0.10 -0.11 0.00 0.53 0.00 0.00 43.42 44.30 2kh2 n LEU 31 CO 0.64 2.16 -0.15 -1.10 -1.11 0.00 0.00 177.39 177.83 2kh2 s GLN 32 N -2.16 3.07 0.00 1.96 -1.52 -1.26 -4.49 119.66 115.25 2kh2 s GLN 32 Ca 0.40 -0.92 0.00 0.00 -1.95 0.00 0.00 55.36 52.88 2kh2 s GLN 32 Cb 0.22 -3.75 0.00 0.00 -0.22 0.00 0.00 33.01 29.25 2kh2 s GLN 32 CO -0.08 -0.61 0.00 0.41 -0.25 0.00 0.00 175.29 174.76 2kh2 n GLY 33 N 5.04 0.97 0.00 3.09 0.00 -1.26 -4.81 105.19 108.23 2kh2 n GLY 33 Ca -0.12 -1.89 0.07 0.00 0.00 0.00 0.00 46.02 44.08 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 0.00 0.93 -0.01 1.61 -0.06 -1.26 -2.73 117.38 115.86 2kh2 n GLN 34 Ca 0.00 0.00 0.14 0.00 -2.00 0.00 0.00 57.00 55.14 2kh2 n GLN 34 Cb 0.00 -1.25 0.56 0.00 -4.06 0.00 0.00 30.24 25.49 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 -0.75 1.30 -0.67 1.69 9.92 -1.26 -4.14 116.55 122.64 2kh2 n ASP 35 Ca 0.11 -1.47 0.00 0.00 -0.53 0.00 0.00 54.79 52.91 2kh2 n ASP 35 Cb 0.05 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 2kh2 n ASP 35 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 2kh2 n MET 36 N 0.03 0.80 -0.00 -1.24 1.56 -1.11 -2.65 117.12 114.51 2kh2 n MET 36 Ca 0.19 0.00 0.07 0.00 -0.27 0.00 0.00 57.70 57.70 2kh2 n MET 36 Cb 0.31 -1.30 0.06 0.00 2.15 0.00 0.00 33.22 34.45 2kh2 n MET 36 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2kh2 n GLU 37 N 0.27 1.08 -0.08 2.12 -0.58 -1.26 -4.26 120.64 117.93 2kh2 n GLU 37 Ca 0.00 -1.39 0.10 0.00 -0.42 0.00 0.00 57.16 55.45 2kh2 n GLU 37 Cb 0.27 -1.29 0.13 0.00 -0.57 0.00 0.00 31.44 29.99 2kh2 n GLU 37 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2kh2 n GLN 38 N 0.84 2.06 -2.23 3.49 6.02 -1.09 -4.98 117.38 121.49 2kh2 n GLN 38 Ca 0.09 -1.91 -0.33 0.00 -0.01 0.00 0.00 57.00 54.83 2kh2 n GLN 38 Cb 0.37 -1.41 -0.01 0.00 1.02 0.00 0.00 30.24 30.21 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 -1.51 3.49 -0.07 -1.09 -2.07 -1.26 -4.50 119.66 112.66 2kh2 s GLN 39 Ca 0.28 1.27 -0.08 0.00 -1.82 0.00 0.00 55.36 55.02 2kh2 s GLN 39 Cb 0.18 -2.05 -0.04 0.00 -1.09 0.00 0.00 33.01 30.00 2kh2 s GLN 39 CO 0.26 -0.68 0.21 0.08 -1.32 0.00 0.00 175.29 173.84 2kh2 s VAL 40 N -2.26 5.39 -0.18 3.63 1.01 -0.51 -5.00 120.40 122.48 2kh2 s VAL 40 Ca 0.65 0.27 -0.07 0.00 0.00 0.00 0.00 61.98 62.83 2kh2 s VAL 40 Cb -0.16 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2kh2 s VAL 40 CO 0.31 0.54 0.05 -0.69 0.00 0.00 0.00 175.10 175.31 2kh2 s VAL 41 N -1.11 4.67 -0.13 2.92 1.01 -1.26 -4.76 120.40 121.74 2kh2 s VAL 41 Ca 0.20 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.05 2kh2 s VAL 41 Cb -0.13 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 2kh2 s VAL 41 CO 0.09 0.46 0.07 -0.36 0.00 0.00 0.00 175.10 175.37 2kh2 s PHE 42 N 0.37 3.35 -0.23 5.22 0.40 0.26 -1.39 117.98 125.96 2kh2 s PHE 42 Ca 0.02 0.29 -0.13 0.00 -0.60 0.00 0.00 56.93 56.52 2kh2 s PHE 42 Cb -0.13 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.43 2kh2 s PHE 42 CO 0.00 0.49 0.28 -1.12 0.70 0.00 0.00 175.22 175.57 2kh2 s SER 43 N -0.60 6.24 -0.40 1.36 0.01 0.97 -1.02 113.70 120.26 2kh2 s SER 43 Ca 0.11 0.27 -0.14 0.00 1.31 0.00 0.00 55.95 57.50 2kh2 s SER 43 Cb -0.12 -2.17 0.03 0.00 0.21 0.00 0.00 66.02 63.97 2kh2 s SER 43 CO 0.02 -0.03 0.28 -0.04 0.41 0.00 0.00 173.24 173.88 2kh2 s MET 44 N 1.35 2.92 -0.04 12.44 -1.94 0.73 -1.88 119.30 132.88 2kh2 s MET 44 Ca 0.13 -1.06 -0.19 0.00 -1.71 0.00 0.00 55.69 52.86 2kh2 s MET 44 Cb -0.14 -3.91 -0.05 0.00 2.01 0.00 0.00 34.83 32.73 2kh2 s MET 44 CO 0.07 -0.75 0.53 -1.12 -0.01 0.00 0.00 175.02 173.74 2kh2 s SER 45 N 1.69 6.86 -0.54 3.03 0.01 -1.08 -1.70 113.70 121.97 2kh2 s SER 45 Ca 0.04 1.03 -0.28 0.00 1.31 0.00 0.00 55.95 58.04 2kh2 s SER 45 Cb -0.19 -2.32 0.03 0.00 0.21 0.00 0.00 66.02 63.74 2kh2 s SER 45 CO 0.09 0.11 1.22 -0.36 0.41 0.00 0.00 173.24 174.71 2kh2 s PHE 46 N -0.09 2.61 0.50 2.43 0.08 -0.28 -0.72 117.98 122.51 2kh2 s PHE 46 Ca 0.28 0.52 0.08 0.00 0.12 0.00 0.00 56.93 57.94 2kh2 s PHE 46 Cb -0.17 -4.47 0.05 0.00 -0.57 0.00 0.00 43.02 37.86 2kh2 s PHE 46 CO 0.15 -1.58 0.69 0.14 -0.10 0.00 0.00 175.22 174.52 2kh2 s VAL 47 N 4.99 2.61 -0.28 -0.44 -7.23 -1.11 -4.64 120.40 114.30 2kh2 s VAL 47 Ca 0.47 -0.96 -0.06 0.00 -1.81 0.00 0.00 61.98 59.62 2kh2 s VAL 47 Cb -0.08 -2.65 0.01 0.00 0.56 0.00 0.00 36.38 34.22 2kh2 s VAL 47 CO 0.28 0.00 0.04 -1.58 -0.31 0.00 0.00 175.10 173.53 2kh2 s GLN 48 N -4.54 3.08 0.00 4.82 0.74 -1.13 -4.77 119.66 117.86 2kh2 s GLN 48 Ca 0.58 -0.85 0.00 0.00 0.05 0.00 0.00 55.36 55.14 2kh2 s GLN 48 Cb -0.08 -3.27 0.00 0.00 1.10 0.00 0.00 33.01 30.76 2kh2 s GLN 48 CO 0.36 -0.41 0.00 0.41 -0.55 0.00 0.00 175.29 175.10 2kh2 n GLY 49 N 4.82 2.01 3.54 2.59 0.00 -1.26 -4.94 105.19 111.95 2kh2 n GLY 49 Ca -0.15 0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 3.71 3.23 -0.07 1.61 8.01 -1.26 -5.00 118.70 128.93 2kh2 s GLU 50 Ca 0.00 -0.39 -0.03 0.00 0.01 0.00 0.00 54.97 54.56 2kh2 s GLU 50 Cb 0.00 -4.31 -0.04 0.00 -4.31 0.00 0.00 34.13 25.47 2kh2 s GLU 50 CO 0.00 -2.13 0.05 -2.00 0.01 0.00 0.00 175.26 171.20 2kh2 s GLU 51 N 5.50 3.10 0.06 1.61 2.12 -1.26 -3.87 118.70 125.95 2kh2 s GLU 51 Ca 0.35 -0.36 -0.02 0.00 0.36 0.00 0.00 54.97 55.30 2kh2 s GLU 51 Cb -0.08 -2.90 0.01 0.00 0.26 0.00 0.00 34.13 31.42 2kh2 s GLU 51 CO 0.12 0.71 0.11 -1.13 -0.54 0.00 0.00 175.26 174.53 2kh2 n SER 52 N 1.88 -0.33 0.10 -1.70 3.41 -0.87 -5.00 113.62 111.11 2kh2 n SER 52 Ca -0.18 -1.24 0.09 0.00 -0.26 0.00 0.00 58.87 57.29 2kh2 n SER 52 Cb 0.54 0.55 0.00 0.00 -0.26 0.00 0.00 64.21 65.04 2kh2 n SER 52 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2kh2 h ASN 53 N 0.29 0.00 -0.17 4.04 -1.24 -2.01 -3.34 115.58 113.15 2kh2 h ASN 53 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.96 2kh2 h ASN 53 Cb 0.18 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.23 2kh2 h ASN 53 CO 0.06 0.12 0.00 -0.90 -1.29 0.00 0.00 177.43 175.43 2kh2 n ASP 54 N -2.77 2.44 -3.78 1.15 5.75 -1.26 -4.94 116.55 113.13 2kh2 n ASP 54 Ca -0.01 -1.72 -0.13 0.00 -0.01 0.00 0.00 54.79 52.92 2kh2 n ASP 54 Cb 0.61 -0.11 -0.12 0.00 -1.03 0.00 0.00 41.12 40.47 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 -1.01 0.30 -0.14 0.11 1.02 -1.25 -0.86 119.74 117.91 2kh2 s LYS 55 Ca 0.19 0.39 -0.00 0.00 0.02 0.00 0.00 55.97 56.57 2kh2 s LYS 55 Cb 0.11 0.12 0.03 0.00 -0.52 0.00 0.00 37.83 37.57 2kh2 s LYS 55 CO 0.16 -0.05 -0.10 0.42 -0.92 0.00 0.00 175.35 174.86 2kh2 s ILE 56 N 0.27 1.26 -0.39 2.17 -1.09 0.44 -2.05 121.20 121.81 2kh2 s ILE 56 Ca -0.01 -0.51 -0.29 0.00 -2.23 0.00 0.00 60.65 57.61 2kh2 s ILE 56 Cb -0.03 -1.27 0.02 0.00 -1.58 0.00 0.00 42.46 39.60 2kh2 s ILE 56 CO -0.01 0.34 1.21 -2.16 -1.23 0.00 0.00 174.94 173.09 2kh2 s PRO 57 N 1.60 3.82 0.19 2.79 0.04 -1.25 -1.05 135.00 141.15 2kh2 s PRO 57 Ca 0.04 0.90 -0.01 0.00 0.04 0.00 0.00 61.00 61.96 2kh2 s PRO 57 Cb -0.13 -3.88 -0.04 0.00 0.04 0.00 0.00 34.50 30.49 2kh2 s PRO 57 CO -0.09 -1.24 0.13 0.14 0.04 0.00 0.00 177.00 175.98 2kh2 s VAL 58 N 4.42 0.01 0.16 -0.36 -7.23 -0.70 -2.76 120.40 113.93 2kh2 s VAL 58 Ca 0.51 -1.96 0.06 0.00 -1.81 0.00 0.00 61.98 58.78 2kh2 s VAL 58 Cb -0.11 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 2kh2 s VAL 58 CO 0.26 -0.06 0.06 0.00 -0.31 0.00 0.00 175.10 175.04 2kh2 s ALA 59 N -4.14 3.38 -0.30 1.32 0.00 0.10 -0.43 121.76 121.69 2kh2 s ALA 59 Ca 0.36 -1.26 0.03 0.00 0.00 0.00 0.00 51.96 51.10 2kh2 s ALA 59 Cb 0.07 -1.19 0.08 0.00 0.00 0.00 0.00 23.12 22.08 2kh2 s ALA 59 CO 0.10 0.53 -0.02 -0.51 0.00 0.00 0.00 175.76 175.87 2kh2 s LEU 60 N -2.90 4.06 0.35 0.00 1.43 -1.25 -2.62 118.68 117.74 2kh2 s LEU 60 Ca 0.29 -1.79 0.05 0.00 -1.03 0.00 0.00 54.13 51.65 2kh2 s LEU 60 Cb -0.10 -1.56 -0.07 0.00 0.03 0.00 0.00 46.19 44.49 2kh2 s LEU 60 CO 0.21 -0.30 0.04 -0.83 0.23 0.00 0.00 176.35 175.70 2kh2 s GLY 61 N 1.02 2.20 0.08 -3.19 0.00 -0.79 -0.70 107.32 105.95 2kh2 s GLY 61 Ca 0.02 -2.13 -0.15 0.00 0.00 0.00 0.00 44.72 42.46 2kh2 s GLY 61 CO -0.07 -1.90 0.49 1.08 0.00 0.00 0.00 173.10 172.70 2kh2 s LEU 62 N -3.55 4.42 0.07 0.66 1.02 -0.41 -0.02 118.68 120.86 2kh2 s LEU 62 Ca 0.36 1.03 -0.34 0.00 0.02 0.00 0.00 54.13 55.20 2kh2 s LEU 62 Cb 0.09 -2.95 -0.14 0.00 0.02 0.00 0.00 46.19 43.21 2kh2 s LEU 62 CO 0.16 0.21 1.65 1.17 0.02 0.00 0.00 176.35 179.56 2kh2 n LYS 63 N 1.28 2.03 -2.97 1.70 4.81 -0.49 -2.07 118.16 122.46 2kh2 n LYS 63 Ca -0.09 0.74 -0.17 0.00 -0.87 0.00 0.00 58.31 57.92 2kh2 n LYS 63 Cb 0.52 -2.51 -0.01 0.00 0.02 0.00 0.00 35.03 33.05 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 4.31 -2.87 -4.18 1.64 0.28 -1.26 -4.95 120.64 113.62 2kh2 n GLU 64 Ca 0.19 0.44 -0.15 0.00 -0.16 0.00 0.00 57.16 57.49 2kh2 n GLU 64 Cb 0.28 -5.08 -0.11 0.00 1.43 0.00 0.00 31.44 27.96 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 -5.58 0.84 -0.32 3.44 1.02 -0.88 -5.03 119.74 113.24 2kh2 s LYS 65 Ca 0.22 -1.14 0.04 0.00 0.02 0.00 0.00 55.97 55.11 2kh2 s LYS 65 Cb -0.12 -0.55 0.52 0.00 -0.52 0.00 0.00 37.83 37.16 2kh2 s LYS 65 CO 0.27 0.09 1.66 0.27 -0.92 0.00 0.00 175.35 176.72 2kh2 n ASN 66 N 0.61 3.69 -4.45 2.83 6.94 -1.26 -4.52 115.26 119.10 2kh2 n ASN 66 Ca -0.16 -3.15 -0.35 0.00 -0.02 0.00 0.00 54.58 50.90 2kh2 n ASN 66 Cb 0.57 -0.74 -0.12 0.00 -2.36 0.00 0.00 39.78 37.13 2kh2 n ASN 66 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2kh2 s LEU 67 N -2.43 3.29 0.10 -4.53 1.43 -1.26 -0.70 118.68 114.59 2kh2 s LEU 67 Ca 0.43 -0.20 0.08 0.00 -1.03 0.00 0.00 54.13 53.41 2kh2 s LEU 67 Cb 0.35 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 2kh2 s LEU 67 CO 0.09 0.05 -0.21 -0.31 0.23 0.00 0.00 176.35 176.19 2kh2 s TYR 68 N 1.09 1.82 -0.17 0.29 1.51 -0.20 -1.29 117.35 120.40 2kh2 s TYR 68 Ca 0.03 -0.42 -0.29 0.00 -1.01 0.00 0.00 57.07 55.38 2kh2 s TYR 68 Cb -0.14 -1.00 -0.02 0.00 -0.11 0.00 0.00 41.96 40.69 2kh2 s TYR 68 CO 0.02 0.21 1.37 -0.51 -1.11 0.00 0.00 175.55 175.53 2kh2 s LEU 69 N -1.91 4.14 -0.10 -1.29 1.43 0.13 -0.53 118.68 120.54 2kh2 s LEU 69 Ca 0.07 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 54.89 2kh2 s LEU 69 Cb -0.10 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 2kh2 s LEU 69 CO 0.04 -0.88 -0.10 -0.55 0.23 0.00 0.00 176.35 175.09 2kh2 s SER 70 N 2.56 4.32 -0.38 2.29 0.15 0.10 -4.49 113.70 118.25 2kh2 s SER 70 Ca 0.60 -0.19 -0.12 0.00 0.70 0.00 0.00 55.95 56.94 2kh2 s SER 70 Cb -0.23 -1.38 0.02 0.00 -1.71 0.00 0.00 66.02 62.72 2kh2 s SER 70 CO 0.20 0.25 0.24 0.00 1.20 0.00 0.00 173.24 175.13 2kh2 s VAL 72 N 1.62 0.38 -0.24 0.00 -7.23 -0.93 -4.70 120.40 109.30 2kh2 s VAL 72 Ca 0.04 -1.98 -0.12 0.00 -1.81 0.00 0.00 61.98 58.10 2kh2 s VAL 72 Cb -0.19 -2.42 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 2kh2 s VAL 72 CO 0.08 -0.16 0.25 -0.76 -0.31 0.00 0.00 175.10 174.21 2kh2 s LEU 73 N -3.21 4.10 -0.20 1.32 1.43 -1.26 0.26 118.68 121.12 2kh2 s LEU 73 Ca 0.34 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 2kh2 s LEU 73 Cb 0.07 -2.25 0.05 0.00 0.03 0.00 0.00 46.19 44.09 2kh2 s LEU 73 CO 0.10 -0.01 -0.06 -0.54 0.23 0.00 0.00 176.35 176.06 2kh2 s LYS 74 N 1.33 1.61 -0.87 1.70 1.02 0.75 -4.77 119.74 120.51 2kh2 s LYS 74 Ca 0.11 -0.74 -0.01 0.00 0.02 0.00 0.00 55.97 55.35 2kh2 s LYS 74 Cb -0.14 -2.30 -0.02 0.00 -0.52 0.00 0.00 37.83 34.85 2kh2 s LYS 74 CO 0.07 -0.49 0.74 -3.47 -0.92 0.00 0.00 175.35 171.27 2kh2 n ASP 75 N 4.77 -3.10 -1.63 2.83 4.64 -1.26 -2.79 116.55 120.01 2kh2 n ASP 75 Ca -0.13 -0.49 -0.17 0.00 -1.38 0.00 0.00 54.79 52.63 2kh2 n ASP 75 Cb 0.46 -4.02 -0.06 0.00 -1.04 0.00 0.00 41.12 36.46 2kh2 n ASP 75 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2kh2 n ASP 76 N -2.67 -4.54 -3.83 1.67 10.43 -1.26 -4.95 116.55 111.41 2kh2 n ASP 76 Ca -0.17 0.37 -0.16 0.00 2.57 0.00 0.00 54.79 57.40 2kh2 n ASP 76 Cb 0.62 -4.05 -0.16 0.00 1.84 0.00 0.00 41.12 39.36 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 -3.68 0.25 -0.03 -1.24 2.47 -1.12 -5.11 119.74 111.28 2kh2 s LYS 77 Ca 0.00 0.06 -0.30 0.00 -1.56 0.00 0.00 55.97 54.18 2kh2 s LYS 77 Cb 0.00 -0.41 -0.07 0.00 -1.46 0.00 0.00 37.83 35.89 2kh2 s LYS 77 CO 0.00 -0.11 1.85 -2.14 0.16 0.00 0.00 175.35 175.11 2kh2 s PRO 78 N 0.87 4.06 -0.01 4.03 0.02 -1.26 -0.18 135.00 142.53 2kh2 s PRO 78 Ca -0.09 2.36 0.03 0.00 0.02 0.00 0.00 61.00 63.33 2kh2 s PRO 78 Cb -0.12 -4.11 -0.01 0.00 0.02 0.00 0.00 34.50 30.29 2kh2 s PRO 78 CO -0.02 -1.02 -0.11 0.99 -0.33 0.00 0.00 177.00 176.51 2kh2 s THR 79 N 4.63 0.90 0.30 0.99 2.01 0.14 -4.68 115.64 119.93 2kh2 s THR 79 Ca 0.83 -0.48 -0.20 0.00 0.31 0.00 0.00 61.69 62.15 2kh2 s THR 79 Cb -0.37 -0.75 -0.09 0.00 0.01 0.00 0.00 72.50 71.29 2kh2 s THR 79 CO 0.36 0.26 0.80 -0.22 -0.69 0.00 0.00 174.62 175.13 2kh2 s LEU 80 N -0.21 4.21 0.25 4.42 2.96 -1.26 -2.19 118.68 126.86 2kh2 s LEU 80 Ca 0.03 1.51 -0.15 0.00 -0.22 0.00 0.00 54.13 55.30 2kh2 s LEU 80 Cb -0.05 -3.94 0.00 0.00 0.50 0.00 0.00 46.19 42.70 2kh2 s LEU 80 CO -0.00 -0.11 0.53 0.00 -1.32 0.00 0.00 176.35 175.45 2kh2 s GLN 81 N -2.43 1.58 -0.30 1.98 -2.07 -0.13 -4.89 119.66 113.39 2kh2 s GLN 81 Ca 0.50 -1.17 -0.11 0.00 -1.82 0.00 0.00 55.36 52.77 2kh2 s GLN 81 Cb -0.14 0.50 -0.03 0.00 -1.09 0.00 0.00 33.01 32.25 2kh2 s GLN 81 CO 0.19 -0.67 0.19 -0.51 -1.32 0.00 0.00 175.29 173.17 2kh2 s LEU 82 N -2.99 4.15 -0.12 2.60 2.01 -1.26 0.01 118.68 123.09 2kh2 s LEU 82 Ca 0.19 -0.26 -0.02 0.00 0.01 0.00 0.00 54.13 54.05 2kh2 s LEU 82 Cb -0.02 -2.09 -0.03 0.00 0.01 0.00 0.00 46.19 44.07 2kh2 s LEU 82 CO 0.08 -0.14 -0.05 -0.70 1.01 0.00 0.00 176.35 176.55 2kh2 s GLU 83 N 1.71 3.30 -0.25 1.70 2.12 0.31 -4.92 118.70 122.65 2kh2 s GLU 83 Ca 0.06 -0.52 -0.23 0.00 0.36 0.00 0.00 54.97 54.64 2kh2 s GLU 83 Cb -0.17 -2.79 -0.01 0.00 0.26 0.00 0.00 34.13 31.43 2kh2 s GLU 83 CO 0.09 0.43 0.75 -1.12 -0.54 0.00 0.00 175.26 174.87 2kh2 s SER 84 N -0.15 6.71 0.27 -1.70 0.01 -1.26 -1.03 113.70 116.55 2kh2 s SER 84 Ca 0.03 0.86 0.08 0.00 1.31 0.00 0.00 55.95 58.23 2kh2 s SER 84 Cb -0.13 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 2kh2 s SER 84 CO 0.03 -0.47 0.12 0.68 0.41 0.00 0.00 173.24 174.01 2kh2 s VAL 85 N 2.73 3.83 0.02 3.43 -7.23 0.12 -5.01 120.40 118.29 2kh2 s VAL 85 Ca 0.31 -1.62 -0.32 0.00 -1.81 0.00 0.00 61.98 58.54 2kh2 s VAL 85 Cb -0.15 -3.13 -0.11 0.00 0.56 0.00 0.00 36.38 33.55 2kh2 s VAL 85 CO 0.08 -0.32 1.87 -0.67 -0.31 0.00 0.00 175.10 175.75 2kh2 n ASP 86 N -1.09 3.75 0.18 4.85 2.03 -1.26 -4.84 116.55 120.18 2kh2 n ASP 86 Ca -0.06 0.97 0.14 0.00 0.52 0.00 0.00 54.79 56.35 2kh2 n ASP 86 Cb 0.59 -1.46 0.61 0.00 -0.72 0.00 0.00 41.12 40.14 2kh2 n ASP 86 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2kh2 h PRO 87 N 9.17 0.00 0.00 -0.67 0.13 -1.92 -2.34 132.00 136.37 2kh2 h PRO 87 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.94 0.00 -1.52 0.36 -0.23 0.00 0.00 178.00 177.55 2kh2 n LYS 88 N -2.48 0.71 -0.16 0.86 2.85 -1.26 -4.43 118.16 114.25 2kh2 n LYS 88 Ca 0.01 -0.11 0.10 0.00 -1.05 0.00 0.00 58.31 57.25 2kh2 n LYS 88 Cb 0.19 -1.32 0.18 0.00 -0.65 0.00 0.00 35.03 33.43 2kh2 n LYS 88 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2kh2 n ASN 89 N -1.91 3.21 -4.07 -5.58 3.02 -1.12 -4.94 115.26 103.86 2kh2 n ASN 89 Ca -0.02 -1.93 -0.15 0.00 -0.03 0.00 0.00 54.58 52.46 2kh2 n ASN 89 Cb 0.36 -0.21 -0.12 0.00 -0.61 0.00 0.00 39.78 39.19 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 -1.36 0.77 0.68 3.10 1.51 -0.89 -4.55 117.35 116.61 2kh2 s TYR 90 Ca 0.33 -0.43 -0.07 0.00 -1.01 0.00 0.00 57.07 55.90 2kh2 s TYR 90 Cb 0.20 -0.46 0.15 0.00 -0.11 0.00 0.00 41.96 41.74 2kh2 s TYR 90 CO 0.27 -0.04 0.93 -0.35 -1.11 0.00 0.00 175.55 175.25 2kh2 n PRO 91 N 1.68 -0.49 -3.94 -1.71 -0.04 -1.26 -4.82 135.00 124.42 2kh2 n PRO 91 Ca -0.21 -1.92 -0.09 0.00 -0.04 0.00 0.00 63.50 61.24 2kh2 n PRO 91 Cb 0.55 -0.81 -0.07 0.00 -0.04 0.00 0.00 33.50 33.13 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 -4.94 1.06 -0.01 0.54 -2.85 -1.26 -5.07 119.74 107.21 2kh2 s LYS 92 Ca 0.57 -1.12 -0.26 0.00 -1.00 0.00 0.00 55.97 54.16 2kh2 s LYS 92 Cb -0.02 0.36 -0.20 0.00 -2.06 0.00 0.00 37.83 35.91 2kh2 s LYS 92 CO 0.39 -0.37 1.31 -0.22 0.10 0.00 0.00 175.35 176.55 2kh2 h LYS 93 N 2.61 -0.00 -4.04 1.78 3.64 -1.91 -3.36 116.57 115.29 2kh2 h LYS 93 Ca -0.32 0.00 -0.77 0.00 -1.27 0.00 0.00 60.65 58.28 2kh2 h LYS 93 Cb 1.22 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.80 2kh2 h LYS 93 CO 0.51 0.44 0.47 0.21 -2.27 0.00 0.00 179.45 178.81 2kh2 s LYS 94 N -4.42 3.85 0.95 1.90 2.47 -1.26 -2.82 119.74 120.41 2kh2 s LYS 94 Ca -0.16 -2.61 -0.15 0.00 -1.56 0.00 0.00 55.97 51.50 2kh2 s LYS 94 Cb 0.02 -4.62 0.20 0.00 -1.46 0.00 0.00 37.83 31.97 2kh2 s LYS 94 CO 0.67 -1.41 1.31 -1.64 0.16 0.00 0.00 175.35 174.44 2kh2 s MET 95 N 0.28 0.63 0.57 4.03 -1.94 -1.26 -5.04 119.30 116.56 2kh2 s MET 95 Ca 0.27 -0.51 -0.17 0.00 -1.71 0.00 0.00 55.69 53.56 2kh2 s MET 95 Cb -0.08 -1.88 -0.05 0.00 2.01 0.00 0.00 34.83 34.83 2kh2 s MET 95 CO -0.08 -2.40 1.07 -1.21 -0.01 0.00 0.00 175.02 172.40 2kh2 s GLU 96 N -5.85 3.37 0.55 2.03 8.01 -1.26 -4.91 118.70 120.64 2kh2 s GLU 96 Ca 0.74 1.35 0.21 0.00 0.01 0.00 0.00 54.97 57.28 2kh2 s GLU 96 Cb -0.03 -2.03 1.47 0.00 -4.31 0.00 0.00 34.13 29.23 2kh2 s GLU 96 CO 0.53 -0.79 2.17 -0.22 0.01 0.00 0.00 175.26 176.96 2kh2 h LYS 97 N 0.81 0.00 0.00 1.61 1.63 -1.96 0.23 116.57 118.88 2kh2 h LYS 97 Ca -0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 2kh2 h LYS 97 Cb 1.23 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 2kh2 h LYS 97 CO 0.57 0.00 0.00 2.89 -3.45 0.00 0.00 179.45 179.46 2kh2 n ARG 98 N -4.27 0.14 0.00 1.90 1.85 -1.26 -3.11 116.66 111.90 2kh2 n ARG 98 Ca -0.02 0.01 0.05 0.00 -1.00 0.00 0.00 57.85 56.89 2kh2 n ARG 98 Cb 0.12 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 30.07 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 0.00 -3.48 2.89 3.72 0.03 -1.19 117.46 118.01 2kh2 n PHE 99 Ca 0.09 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.11 2kh2 n PHE 99 Cb 0.30 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.75 2kh2 n PHE 99 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2kh2 s VAL 100 N -0.94 5.24 0.11 -4.37 1.01 -0.99 -3.96 120.40 116.51 2kh2 s VAL 100 Ca 0.11 0.46 0.08 0.00 0.00 0.00 0.00 61.98 62.63 2kh2 s VAL 100 Cb 0.08 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 2kh2 s VAL 100 CO 0.15 0.24 -0.14 -0.36 0.00 0.00 0.00 175.10 174.99 2kh2 s PHE 101 N 1.57 2.63 -0.46 5.22 0.40 0.43 -2.45 117.98 125.32 2kh2 s PHE 101 Ca 0.13 -0.21 -0.11 0.00 -0.60 0.00 0.00 56.93 56.14 2kh2 s PHE 101 Cb -0.15 -1.38 0.10 0.00 0.51 0.00 0.00 43.02 42.10 2kh2 s PHE 101 CO 0.08 0.41 0.34 -0.80 0.70 0.00 0.00 175.22 175.95 2kh2 s ASN 102 N -2.20 5.80 -0.48 1.36 0.02 0.21 -1.72 114.94 117.93 2kh2 s ASN 102 Ca 0.20 -1.68 -0.29 0.00 -1.02 0.00 0.00 52.86 50.07 2kh2 s ASN 102 Cb -0.11 -2.05 0.02 0.00 0.02 0.00 0.00 41.25 39.13 2kh2 s ASN 102 CO 0.12 -0.65 1.31 -0.75 0.02 0.00 0.00 177.10 177.14 2kh2 s LYS 103 N 1.45 3.55 -0.08 -0.60 2.20 -0.21 -1.14 119.74 124.91 2kh2 s LYS 103 Ca 0.04 0.64 -0.19 0.00 -0.36 0.00 0.00 55.97 56.10 2kh2 s LYS 103 Cb -0.25 -4.01 -0.04 0.00 -1.51 0.00 0.00 37.83 32.01 2kh2 s LYS 103 CO 0.02 -1.61 0.54 0.42 -0.36 0.00 0.00 175.35 174.35 2kh2 s ILE 104 N 5.25 5.09 -0.79 5.43 1.01 0.14 -0.42 121.20 136.92 2kh2 s ILE 104 Ca 0.53 1.09 0.02 0.00 0.00 0.00 0.00 60.65 62.30 2kh2 s ILE 104 Cb -0.10 -3.87 0.21 0.00 0.01 0.00 0.00 42.46 38.70 2kh2 s ILE 104 CO 0.30 0.35 0.71 -0.62 0.00 0.00 0.00 174.94 175.68 2kh2 n GLU 105 N 3.36 2.42 0.41 2.79 4.71 -0.04 -0.51 120.64 133.79 2kh2 n GLU 105 Ca -0.06 -4.53 -0.16 0.00 -0.01 0.00 0.00 57.16 52.40 2kh2 n GLU 105 Cb 0.51 -2.34 -0.08 0.00 -1.01 0.00 0.00 31.44 28.53 2kh2 n GLU 105 CO 0.00 0.00 0.00 -0.84 0.09 0.00 0.00 177.13 176.38 2kh2 h ILE 106 N 3.98 0.00 0.00 -3.67 3.07 -1.82 -3.46 117.51 115.60 2kh2 h ILE 106 Ca 0.17 -0.04 0.00 0.00 1.55 0.00 0.00 64.86 66.54 2kh2 h ILE 106 Cb 0.75 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.30 2kh2 h ILE 106 CO 0.83 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.47 2kh2 n ASN 107 N -4.91 0.00 0.14 2.16 0.23 -1.26 -4.99 115.26 106.63 2kh2 n ASN 107 Ca -0.13 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.04 2kh2 n ASN 107 Cb 0.41 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.17 2kh2 n ASN 107 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 2kh2 h ASN 108 N 0.00 0.00 -2.56 0.53 -0.00 -1.98 -3.46 115.58 108.11 2kh2 h ASN 108 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 56.30 55.71 2kh2 h ASN 108 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 38.32 38.20 2kh2 h ASN 108 CO 0.00 0.00 -0.69 -0.54 -0.00 0.00 0.00 177.43 176.20 2kh2 s LYS 109 N -3.31 2.12 0.03 6.67 -0.14 -1.26 -4.94 119.74 118.90 2kh2 s LYS 109 Ca 0.02 -1.39 0.08 0.00 -1.36 0.00 0.00 55.97 53.32 2kh2 s LYS 109 Cb 0.08 -2.12 -0.03 0.00 -1.68 0.00 0.00 37.83 34.09 2kh2 s LYS 109 CO 0.75 0.39 -0.25 -0.48 -0.76 0.00 0.00 175.35 175.01 2kh2 s LEU 110 N -3.28 2.14 0.16 3.17 2.34 0.15 -3.52 118.68 119.84 2kh2 s LEU 110 Ca 0.28 -0.54 0.08 0.00 0.06 0.00 0.00 54.13 54.02 2kh2 s LEU 110 Cb -0.07 -1.21 -0.04 0.00 -0.56 0.00 0.00 46.19 44.31 2kh2 s LEU 110 CO 0.17 0.25 -0.08 -1.61 -1.06 0.00 0.00 176.35 174.02 2kh2 s GLU 111 N -1.06 2.14 -0.33 1.48 2.02 0.34 0.57 118.70 123.85 2kh2 s GLU 111 Ca 0.10 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 53.91 2kh2 s GLU 111 Cb -0.10 -2.23 0.08 0.00 0.10 0.00 0.00 34.13 31.98 2kh2 s GLU 111 CO 0.01 0.45 0.04 -0.06 0.02 0.00 0.00 175.26 175.73 2kh2 s PHE 112 N -1.59 3.47 0.01 1.61 0.08 -1.25 0.28 117.98 120.60 2kh2 s PHE 112 Ca 0.24 -2.38 -0.11 0.00 0.12 0.00 0.00 56.93 54.80 2kh2 s PHE 112 Cb -0.09 -2.55 -0.05 0.00 -0.57 0.00 0.00 43.02 39.75 2kh2 s PHE 112 CO 0.15 -0.90 0.36 -2.00 -0.10 0.00 0.00 175.22 172.74 2kh2 s GLU 113 N 1.11 3.76 0.03 0.44 2.12 -0.29 -1.72 118.70 124.15 2kh2 s GLU 113 Ca 0.01 0.21 -0.25 0.00 0.36 0.00 0.00 54.97 55.30 2kh2 s GLU 113 Cb -0.20 -3.12 -0.05 0.00 0.26 0.00 0.00 34.13 31.02 2kh2 s GLU 113 CO -0.04 0.65 0.77 0.45 -0.54 0.00 0.00 175.26 176.55 2kh2 s SER 114 N -1.39 7.20 0.21 -1.70 0.15 0.11 0.68 113.70 118.96 2kh2 s SER 114 Ca 0.26 1.43 0.02 0.00 0.70 0.00 0.00 55.95 58.37 2kh2 s SER 114 Cb -0.15 -2.47 0.18 0.00 -1.71 0.00 0.00 66.02 61.87 2kh2 s SER 114 CO 0.14 -0.02 1.51 0.00 1.20 0.00 0.00 173.24 176.08 2kh2 h ALA 115 N 5.86 0.76 -0.22 5.45 0.00 -1.73 -2.94 119.26 126.44 2kh2 h ALA 115 Ca -0.43 -0.57 -0.09 0.00 0.00 0.00 0.00 54.91 53.82 2kh2 h ALA 115 Cb 1.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2kh2 h ALA 115 CO 0.72 0.74 -0.24 0.37 0.00 0.00 0.00 179.25 180.84 2kh2 h GLN 116 N 0.22 0.41 -3.01 0.00 5.75 -1.76 -3.39 115.11 113.33 2kh2 h GLN 116 Ca -0.01 -0.14 -0.58 0.00 -0.15 0.00 0.00 58.65 57.76 2kh2 h GLN 116 Cb 1.17 -0.03 -0.40 0.00 1.07 0.00 0.00 27.48 29.30 2kh2 h GLN 116 CO 0.10 0.63 -0.78 -0.06 -2.65 0.00 0.00 178.83 176.07 2kh2 s PHE 117 N -4.51 1.32 0.56 3.99 0.08 -1.12 -5.09 117.98 113.21 2kh2 s PHE 117 Ca -0.06 -1.79 -0.21 0.00 0.12 0.00 0.00 56.93 54.99 2kh2 s PHE 117 Cb 0.14 -1.43 -0.04 0.00 -0.57 0.00 0.00 43.02 41.12 2kh2 s PHE 117 CO 0.78 -0.83 1.35 -2.14 -0.10 0.00 0.00 175.22 174.28 2kh2 s PRO 118 N 1.16 3.06 0.00 0.24 0.02 -1.18 -2.27 135.00 136.03 2kh2 s PRO 118 Ca 0.14 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.38 2kh2 s PRO 118 Cb -0.21 -2.21 0.00 0.00 0.02 0.00 0.00 34.50 32.11 2kh2 s PRO 118 CO -0.12 -1.25 0.00 0.09 -0.33 0.00 0.00 177.00 175.39 2kh2 n ASN 119 N -1.14 -0.50 -4.35 2.53 5.03 -1.26 -4.98 115.26 110.59 2kh2 n ASN 119 Ca 0.11 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.21 2kh2 n ASN 119 Cb 0.45 -0.73 -0.14 0.00 -1.02 0.00 0.00 39.78 38.35 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 -3.03 2.97 0.22 3.10 0.52 -0.96 -4.48 118.94 117.28 2kh2 s TRP 120 Ca 0.00 -0.80 0.11 0.00 0.02 0.00 0.00 56.10 55.43 2kh2 s TRP 120 Cb 0.00 -2.09 -0.05 0.00 -1.15 0.00 0.00 33.47 30.18 2kh2 s TRP 120 CO 0.00 -0.46 -0.20 0.71 0.02 0.00 0.00 176.95 177.02 2kh2 s TYR 121 N 1.32 2.12 0.02 -1.98 1.51 0.66 -0.71 117.35 120.29 2kh2 s TYR 121 Ca 0.04 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.40 2kh2 s TYR 121 Cb -0.14 -0.99 -0.07 0.00 -0.11 0.00 0.00 41.96 40.65 2kh2 s TYR 121 CO -0.01 0.53 1.71 0.42 -1.11 0.00 0.00 175.55 177.09 2kh2 s ILE 122 N -2.26 3.22 0.18 2.71 1.01 -0.70 0.09 121.20 125.45 2kh2 s ILE 122 Ca 0.24 0.48 0.10 0.00 0.00 0.00 0.00 60.65 61.47 2kh2 s ILE 122 Cb -0.05 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 2kh2 s ILE 122 CO 0.11 -0.02 -0.21 -0.44 0.00 0.00 0.00 174.94 174.37 2kh2 s SER 123 N 3.07 3.08 -0.10 3.58 0.01 0.82 -4.28 113.70 119.88 2kh2 s SER 123 Ca 0.76 -0.86 -0.05 0.00 1.31 0.00 0.00 55.95 57.11 2kh2 s SER 123 Cb -0.38 -0.21 0.04 0.00 0.21 0.00 0.00 66.02 65.68 2kh2 s SER 123 CO 0.33 0.05 0.23 0.42 0.41 0.00 0.00 173.24 174.68 2kh2 s THR 124 N -1.84 -0.04 0.92 1.44 -4.23 -0.79 -2.50 115.64 108.60 2kh2 s THR 124 Ca 0.18 0.13 -0.12 0.00 -1.18 0.00 0.00 61.69 60.70 2kh2 s THR 124 Cb -0.07 -0.36 0.14 0.00 1.34 0.00 0.00 72.50 73.55 2kh2 s THR 124 CO 0.08 0.05 1.10 -0.44 -0.54 0.00 0.00 174.62 174.88 2kh2 s SER 125 N 1.10 3.36 0.30 3.99 0.01 -1.26 -0.27 113.70 120.93 2kh2 s SER 125 Ca -0.08 1.29 0.11 0.00 1.31 0.00 0.00 55.95 58.59 2kh2 s SER 125 Cb -0.09 -1.96 0.44 0.00 0.21 0.00 0.00 66.02 64.61 2kh2 s SER 125 CO -0.07 -2.68 1.66 1.56 0.41 0.00 0.00 173.24 174.11 2kh2 h GLN 126 N -1.58 0.00 -6.92 12.44 1.08 -1.96 -3.46 115.11 114.71 2kh2 h GLN 126 Ca -0.51 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.13 2kh2 h GLN 126 Cb 1.30 0.00 0.16 0.00 -0.05 0.00 0.00 27.48 28.89 2kh2 h GLN 126 CO 0.57 0.56 0.25 0.00 -0.95 0.00 0.00 178.83 179.26 2kh2 n ALA 127 N -2.42 0.49 -1.79 3.87 0.00 -1.26 -4.97 120.51 114.43 2kh2 n ALA 127 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.05 2kh2 n ALA 127 Cb 0.57 -2.18 -0.06 0.00 0.00 0.00 0.00 19.45 17.78 2kh2 n ALA 127 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2kh2 s GLU 128 N -2.95 4.68 -0.77 0.00 2.56 -1.26 -3.80 118.70 117.16 2kh2 s GLU 128 Ca 0.78 1.37 -0.00 0.00 0.00 0.00 0.00 54.97 57.12 2kh2 s GLU 128 Cb -0.40 -3.01 0.00 0.00 2.00 0.00 0.00 34.13 32.71 2kh2 s GLU 128 CO 0.45 0.39 0.05 -1.71 -0.56 0.00 0.00 175.26 173.88 2kh2 n ASN 129 N 0.98 -3.25 -4.80 -1.70 5.15 -1.00 -5.02 115.26 105.62 2kh2 n ASN 129 Ca -0.00 -0.03 -0.38 0.00 -0.60 0.00 0.00 54.58 53.56 2kh2 n ASN 129 Cb 0.49 -2.46 -0.06 0.00 -0.53 0.00 0.00 39.78 37.22 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 -4.57 4.18 0.98 1.20 -1.94 -1.15 -4.78 119.30 113.22 2kh2 s MET 130 Ca 0.03 0.66 -0.12 0.00 -1.71 0.00 0.00 55.69 54.54 2kh2 s MET 130 Cb -0.01 -3.26 0.18 0.00 2.01 0.00 0.00 34.83 33.74 2kh2 s MET 130 CO 0.03 0.57 1.09 -2.14 -0.01 0.00 0.00 175.02 174.57 2kh2 s PRO 131 N -0.84 0.54 -0.30 2.03 0.02 -1.26 -0.10 135.00 135.09 2kh2 s PRO 131 Ca 0.28 0.60 -0.12 0.00 0.02 0.00 0.00 61.00 61.78 2kh2 s PRO 131 Cb -0.18 -1.74 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 2kh2 s PRO 131 CO 0.17 -2.68 0.21 0.08 -0.33 0.00 0.00 177.00 174.46 2kh2 s VAL 132 N -2.94 5.30 0.38 3.83 1.01 -0.80 -4.68 120.40 122.51 2kh2 s VAL 132 Ca 0.65 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.75 2kh2 s VAL 132 Cb -0.19 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 2kh2 s VAL 132 CO 0.58 0.16 0.20 0.72 0.00 0.00 0.00 175.10 176.76 2kh2 s PHE 133 N 1.77 1.77 -0.18 5.22 -0.71 -1.04 -4.84 117.98 119.96 2kh2 s PHE 133 Ca 0.07 -1.47 -0.12 0.00 -1.04 0.00 0.00 56.93 54.37 2kh2 s PHE 133 Cb -0.16 -0.96 -0.05 0.00 -1.21 0.00 0.00 43.02 40.64 2kh2 s PHE 133 CO 0.11 -0.57 0.23 -1.17 -1.34 0.00 0.00 175.22 172.48 2kh2 s LEU 134 N -3.52 4.22 0.05 -1.99 2.96 -1.26 -0.12 118.68 119.01 2kh2 s LEU 134 Ca 0.30 0.38 0.09 0.00 -0.22 0.00 0.00 54.13 54.68 2kh2 s LEU 134 Cb 0.02 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 2kh2 s LEU 134 CO 0.20 0.12 -0.26 -0.83 -1.32 0.00 0.00 176.35 174.26 2kh2 s GLY 135 N 0.49 1.38 -0.16 7.98 0.00 0.11 -4.82 107.32 112.30 2kh2 s GLY 135 Ca 0.13 -1.25 0.16 0.00 0.00 0.00 0.00 44.72 43.75 2kh2 s GLY 135 CO 0.02 -1.14 1.50 0.61 0.00 0.00 0.00 173.10 174.09 2kh2 n GLY 136 N 1.77 3.50 2.85 0.20 0.00 -1.26 -0.24 105.19 112.01 2kh2 n GLY 136 Ca -0.17 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 2kh2 n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kh2 s THR 137 N -2.48 1.35 0.27 2.61 -4.23 -1.26 -4.87 115.64 107.03 2kh2 s THR 137 Ca 0.44 -1.57 -0.21 0.00 -1.18 0.00 0.00 61.69 59.17 2kh2 s THR 137 Cb 0.33 -1.92 -0.09 0.00 1.34 0.00 0.00 72.50 72.16 2kh2 s THR 137 CO 0.13 -0.52 0.81 -0.75 -0.54 0.00 0.00 174.62 173.74 2kh2 s LYS 138 N 1.40 4.33 -1.24 3.99 2.20 -1.26 -3.83 119.74 125.34 2kh2 s LYS 138 Ca 0.07 1.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.69 2kh2 s LYS 138 Cb -0.18 -2.78 0.00 0.00 -1.51 0.00 0.00 37.83 33.36 2kh2 s LYS 138 CO -0.16 0.32 0.00 0.41 -0.36 0.00 0.00 175.35 175.56 2kh2 n GLY 139 N 0.51 0.58 0.00 5.54 0.00 -1.26 -4.99 105.19 105.57 2kh2 n GLY 139 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2kh2 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kh2 n GLY 140 N -1.20 2.26 0.16 -0.02 0.00 -1.25 -5.01 105.19 100.13 2kh2 n GLY 140 Ca -0.14 -1.66 -0.22 0.00 0.00 0.00 0.00 46.02 44.00 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 0.54 -7.35 1.61 7.50 -1.94 -3.46 115.11 112.02 2kh2 h GLN 141 Ca 0.00 -0.75 -0.51 0.00 0.50 0.00 0.00 58.65 57.89 2kh2 h GLN 141 Cb 0.00 0.25 0.11 0.00 0.05 0.00 0.00 27.48 27.89 2kh2 h GLN 141 CO 0.00 1.33 0.35 -0.51 -1.50 0.00 0.00 178.83 178.50 2kh2 s ASP 142 N -7.29 4.94 -0.17 1.46 1.01 -1.26 -4.44 116.67 110.92 2kh2 s ASP 142 Ca -0.11 1.57 -0.08 0.00 0.71 0.00 0.00 52.55 54.65 2kh2 s ASP 142 Cb 0.04 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.55 2kh2 s ASP 142 CO 0.91 -1.72 0.08 -0.63 0.21 0.00 0.00 175.17 174.02 2kh2 s ILE 143 N -3.04 4.98 -0.19 0.77 1.01 0.63 -4.66 121.20 120.69 2kh2 s ILE 143 Ca 0.59 0.03 0.06 0.00 0.00 0.00 0.00 60.65 61.33 2kh2 s ILE 143 Cb -0.15 -3.23 -0.08 0.00 0.01 0.00 0.00 42.46 39.01 2kh2 s ILE 143 CO 0.55 0.48 0.21 0.35 0.00 0.00 0.00 174.94 176.54 2kh2 n THR 144 N 3.27 0.00 -3.66 2.92 -2.24 -1.26 -1.88 114.28 111.43 2kh2 n THR 144 Ca -0.17 -0.28 -0.37 0.00 -2.27 0.00 0.00 64.05 60.96 2kh2 n THR 144 Cb 0.53 0.78 -0.06 0.00 -2.10 0.00 0.00 70.33 69.47 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 -1.97 6.63 0.09 3.42 -4.77 -1.26 -3.86 116.67 114.95 2kh2 s ASP 145 Ca 0.01 0.75 0.02 0.00 -3.30 0.00 0.00 52.55 50.03 2kh2 s ASP 145 Cb 0.04 -2.17 -0.01 0.00 -1.09 0.00 0.00 42.92 39.70 2kh2 s ASP 145 CO 0.25 0.34 0.06 0.49 0.70 0.00 0.00 175.17 177.02 2kh2 n PHE 146 N 1.78 -0.15 -4.51 2.11 3.72 0.19 -3.55 117.46 117.05 2kh2 n PHE 146 Ca -0.16 -0.69 -0.23 0.00 -0.05 0.00 0.00 57.45 56.32 2kh2 n PHE 146 Cb 0.53 0.06 -0.05 0.00 -0.94 0.00 0.00 39.48 39.08 2kh2 n PHE 146 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2kh2 n THR 147 N -0.17 0.00 -3.05 4.37 -2.24 -0.74 -0.68 114.28 111.77 2kh2 n THR 147 Ca 0.01 -1.81 -0.15 0.00 -2.27 0.00 0.00 64.05 59.83 2kh2 n THR 147 Cb 0.15 0.45 -0.00 0.00 -2.10 0.00 0.00 70.33 68.83 2kh2 n THR 147 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2kh2 n MET 148 N -0.88 1.00 -2.15 -0.78 1.56 -1.25 -4.23 117.12 110.39 2kh2 n MET 148 Ca -0.12 -3.09 -0.42 0.00 -0.27 0.00 0.00 57.70 53.80 2kh2 n MET 148 Cb 0.48 -1.51 -0.03 0.00 2.15 0.00 0.00 33.22 34.31 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 -1.98 4.29 0.03 2.12 1.11 -0.89 -4.76 119.66 119.58 2kh2 s GLN 149 Ca 0.35 2.08 -0.18 0.00 0.01 0.00 0.00 55.36 57.62 2kh2 s GLN 149 Cb 0.35 -3.40 -0.06 0.00 -1.01 0.00 0.00 33.01 28.89 2kh2 s GLN 149 CO -0.06 -0.53 0.51 -0.06 0.01 0.00 0.00 175.29 175.16 2kh2 s PHE 150 N 1.75 3.76 0.52 0.91 0.08 -1.26 -0.35 117.98 123.39 2kh2 s PHE 150 Ca 0.66 1.16 0.02 0.00 0.12 0.00 0.00 56.93 58.88 2kh2 s PHE 150 Cb -0.35 -2.44 0.02 0.00 -0.57 0.00 0.00 43.02 39.67 2kh2 s PHE 150 CO 0.29 0.56 0.12 1.33 -0.10 0.00 0.00 175.22 177.43 2kh2 n VAL 151 N 1.94 0.00 -3.18 -0.44 0.24 -1.23 -4.98 118.33 110.69 2kh2 n VAL 151 Ca -0.11 -2.35 -0.45 0.00 -2.04 0.00 0.00 64.34 59.38 2kh2 n VAL 151 Cb 0.51 0.33 -0.02 0.00 -1.47 0.00 0.00 33.84 33.20 2kh2 n VAL 151 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2kh2 s SER 152 N -3.95 6.88 0.00 -1.34 1.04 -1.26 -4.88 113.70 110.20 2kh2 s SER 152 Ca 0.09 -2.74 0.00 0.00 0.48 0.00 0.00 55.95 53.78 2kh2 s SER 152 Cb -0.01 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.83 2kh2 s SER 152 CO 0.06 -0.67 0.00 -1.20 0.98 0.00 0.00 173.24 172.41