#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 0.81 -5.22 0.00 0.11 -2.07 -3.43 132.00 122.21 2kh2 h PRO 2 Ca 0.00 -0.59 -0.67 0.00 0.11 0.00 0.00 66.00 64.85 2kh2 h PRO 2 Cb 0.00 0.10 -0.32 0.00 0.11 0.00 0.00 31.00 30.89 2kh2 h PRO 2 CO 0.00 1.21 -0.83 0.54 -0.21 0.00 0.00 178.00 178.71 2kh2 s VAL 3 N -3.92 2.43 0.15 3.15 0.11 -1.26 -5.05 120.40 116.01 2kh2 s VAL 3 Ca -0.11 -0.86 -0.24 0.00 -2.93 0.00 0.00 61.98 57.85 2kh2 s VAL 3 Cb 0.09 -2.00 -0.08 0.00 -1.53 0.00 0.00 36.38 32.86 2kh2 s VAL 3 CO 0.89 0.53 0.73 -0.13 -3.33 0.00 0.00 175.10 173.79 2kh2 s ARG 4 N 0.74 4.48 -0.01 1.54 0.52 -1.26 -4.92 118.95 120.04 2kh2 s ARG 4 Ca -0.07 1.06 0.00 0.00 -0.52 0.00 0.00 55.73 56.20 2kh2 s ARG 4 Cb -0.16 -3.25 0.02 0.00 0.52 0.00 0.00 34.95 32.09 2kh2 s ARG 4 CO 0.00 0.58 0.02 0.45 0.02 0.00 0.00 175.30 176.37 2kh2 s SER 5 N -1.15 0.10 -0.05 0.23 0.15 -1.26 -0.56 113.70 111.15 2kh2 s SER 5 Ca 0.34 0.02 0.02 0.00 0.70 0.00 0.00 55.95 57.03 2kh2 s SER 5 Cb -0.22 -0.06 0.01 0.00 -1.71 0.00 0.00 66.02 64.03 2kh2 s SER 5 CO 0.25 -0.08 -0.11 -1.48 1.20 0.00 0.00 173.24 173.01 2kh2 s LEU 6 N 0.70 1.67 -0.11 3.45 2.34 -0.58 -4.89 118.68 121.27 2kh2 s LEU 6 Ca -0.06 -0.27 -0.21 0.00 0.06 0.00 0.00 54.13 53.66 2kh2 s LEU 6 Cb -0.09 -0.76 -0.04 0.00 -0.56 0.00 0.00 46.19 44.75 2kh2 s LEU 6 CO -0.02 0.05 0.59 0.20 -1.06 0.00 0.00 176.35 176.10 2kh2 s ASN 7 N 0.53 6.80 0.15 1.48 0.01 -1.26 -0.27 114.94 122.39 2kh2 s ASN 7 Ca -0.11 0.96 -0.09 0.00 -0.71 0.00 0.00 52.86 52.91 2kh2 s ASN 7 Cb -0.14 -2.34 -0.01 0.00 0.41 0.00 0.00 41.25 39.17 2kh2 s ASN 7 CO 0.03 -0.09 0.28 0.00 -1.51 0.00 0.00 177.10 175.81 2kh2 s THR 9 N -3.94 2.76 -0.21 0.00 2.01 0.80 -0.96 115.64 116.09 2kh2 s THR 9 Ca 0.15 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.25 2kh2 s THR 9 Cb 0.03 -2.10 -0.05 0.00 0.01 0.00 0.00 72.50 70.40 2kh2 s THR 9 CO -0.02 0.56 0.12 -0.76 -0.69 0.00 0.00 174.62 173.83 2kh2 s LEU 10 N -0.07 4.03 -0.07 4.42 1.43 -1.25 -1.93 118.68 125.24 2kh2 s LEU 10 Ca -0.04 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.22 2kh2 s LEU 10 Cb -0.14 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.03 2kh2 s LEU 10 CO 0.04 0.12 -0.15 -0.13 0.23 0.00 0.00 176.35 176.46 2kh2 s ARG 11 N 0.69 1.94 1.04 1.70 0.52 -1.22 -4.21 118.95 119.42 2kh2 s ARG 11 Ca 0.06 -0.53 -0.18 0.00 -0.52 0.00 0.00 55.73 54.57 2kh2 s ARG 11 Cb -0.12 -1.58 0.25 0.00 0.52 0.00 0.00 34.95 34.01 2kh2 s ARG 11 CO 0.01 0.10 1.16 -0.40 0.02 0.00 0.00 175.30 176.19 2kh2 n ASP 12 N 3.62 -0.90 0.12 0.23 5.68 -1.17 -0.90 116.55 123.22 2kh2 n ASP 12 Ca -0.21 -1.31 0.10 0.00 -0.50 0.00 0.00 54.79 52.87 2kh2 n ASP 12 Cb 0.52 -0.96 0.46 0.00 -1.14 0.00 0.00 41.12 40.00 2kh2 n ASP 12 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2kh2 n SER 13 N -4.27 0.48 -0.85 -1.12 3.41 -1.23 -0.65 113.62 109.39 2kh2 n SER 13 Ca 0.15 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.56 2kh2 n SER 13 Cb 0.55 -0.76 0.26 0.00 -0.26 0.00 0.00 64.21 64.01 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 -2.10 2.15 -2.31 4.33 1.13 -1.26 -4.93 117.38 114.40 2kh2 n GLN 14 Ca 0.00 -1.70 -0.15 0.00 -1.94 0.00 0.00 57.00 53.22 2kh2 n GLN 14 Cb 0.11 -1.47 -0.00 0.00 0.11 0.00 0.00 30.24 28.99 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 0.99 -1.30 -2.64 -1.09 1.13 0.17 -4.97 117.38 109.67 2kh2 n GLN 15 Ca 0.17 0.70 -0.29 0.00 -1.94 0.00 0.00 57.00 55.64 2kh2 n GLN 15 Cb 0.51 -5.01 -0.01 0.00 0.11 0.00 0.00 30.24 25.83 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 -4.77 3.67 0.23 -1.09 1.02 -1.26 -4.25 119.74 113.30 2kh2 s LYS 16 Ca 0.01 0.41 0.12 0.00 0.02 0.00 0.00 55.97 56.53 2kh2 s LYS 16 Cb -0.01 -2.34 -0.05 0.00 -0.52 0.00 0.00 37.83 34.92 2kh2 s LYS 16 CO 0.02 -0.17 -0.22 -1.12 -0.92 0.00 0.00 175.35 172.94 2kh2 s SER 17 N -3.66 3.46 -0.19 2.83 0.01 0.82 -3.07 113.70 113.92 2kh2 s SER 17 Ca 0.50 -0.95 -0.15 0.00 1.31 0.00 0.00 55.95 56.66 2kh2 s SER 17 Cb -0.10 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 2kh2 s SER 17 CO 0.39 0.07 0.35 -0.76 0.41 0.00 0.00 173.24 173.71 2kh2 s LEU 18 N -3.10 4.18 0.16 2.44 1.43 -1.26 -1.57 118.68 120.96 2kh2 s LEU 18 Ca 0.25 0.49 0.10 0.00 -1.03 0.00 0.00 54.13 53.94 2kh2 s LEU 18 Cb -0.06 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 2kh2 s LEU 18 CO 0.12 -0.01 -0.21 0.68 0.23 0.00 0.00 176.35 177.16 2kh2 s VAL 19 N 1.02 2.00 -0.52 -1.59 -7.23 0.35 -0.82 120.40 113.61 2kh2 s VAL 19 Ca 0.18 -1.87 -0.28 0.00 -1.81 0.00 0.00 61.98 58.20 2kh2 s VAL 19 Cb -0.14 -1.89 0.03 0.00 0.56 0.00 0.00 36.38 34.94 2kh2 s VAL 19 CO 0.07 -0.17 1.10 -0.04 -0.31 0.00 0.00 175.10 175.74 2kh2 s MET 20 N -2.52 3.57 0.00 4.82 -1.94 -1.26 -0.99 119.30 120.97 2kh2 s MET 20 Ca 0.15 0.30 0.00 0.00 -1.71 0.00 0.00 55.69 54.43 2kh2 s MET 20 Cb -0.08 -3.96 0.00 0.00 2.01 0.00 0.00 34.83 32.80 2kh2 s MET 20 CO 0.07 -1.47 0.00 0.45 -0.01 0.00 0.00 175.02 174.06 2kh2 n SER 21 N 7.90 0.00 -4.64 3.03 2.88 0.01 -4.96 113.62 117.84 2kh2 n SER 21 Ca 0.09 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.40 2kh2 n SER 21 Cb 0.49 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.06 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 2.73 0.82 0.31 0.46 0.00 -1.17 -4.91 105.19 103.43 2kh2 n GLY 22 Ca 0.00 -2.06 0.15 0.00 0.00 0.00 0.00 46.02 44.11 2kh2 n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kh2 h PRO 23 N 0.00 0.00 -0.33 1.61 0.13 -2.04 -2.62 132.00 128.75 2kh2 h PRO 23 Ca -0.33 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.55 2kh2 h PRO 23 Cb 1.24 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.01 2kh2 h PRO 23 CO 0.36 0.00 -0.98 0.66 -0.23 0.00 0.00 178.00 177.81 2kh2 n TYR 24 N -4.05 1.07 -4.05 1.56 4.01 -1.26 -5.07 117.16 109.37 2kh2 n TYR 24 Ca -0.00 -1.66 -0.15 0.00 -0.16 0.00 0.00 57.90 55.93 2kh2 n TYR 24 Cb 0.22 -0.23 -0.14 0.00 -0.31 0.00 0.00 39.34 38.88 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 -2.73 0.28 -0.03 -0.72 2.12 -0.99 -4.50 118.70 112.14 2kh2 s GLU 25 Ca 0.34 -0.11 0.06 0.00 0.36 0.00 0.00 54.97 55.63 2kh2 s GLU 25 Cb 0.36 -0.28 -0.01 0.00 0.26 0.00 0.00 34.13 34.45 2kh2 s GLU 25 CO -0.06 0.06 -0.21 -0.51 -0.54 0.00 0.00 175.26 173.99 2kh2 s LEU 26 N 0.01 2.02 0.13 2.70 1.43 -1.26 -0.81 118.68 122.90 2kh2 s LEU 26 Ca 0.00 -0.40 0.10 0.00 -1.03 0.00 0.00 54.13 52.81 2kh2 s LEU 26 Cb -0.02 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 2kh2 s LEU 26 CO -0.00 0.23 -0.25 -0.54 0.23 0.00 0.00 176.35 176.02 2kh2 s LYS 27 N -0.31 1.36 -0.20 1.70 1.02 -0.16 -2.20 119.74 120.94 2kh2 s LYS 27 Ca 0.03 -1.34 -0.02 0.00 0.02 0.00 0.00 55.97 54.66 2kh2 s LYS 27 Cb -0.10 -1.78 -0.00 0.00 -0.52 0.00 0.00 37.83 35.43 2kh2 s LYS 27 CO 0.01 0.41 -0.09 0.00 -0.92 0.00 0.00 175.35 174.76 2kh2 s ALA 28 N -1.18 2.68 0.09 5.17 0.00 0.42 -0.50 121.76 128.45 2kh2 s ALA 28 Ca 0.13 -1.15 -0.11 0.00 0.00 0.00 0.00 51.96 50.84 2kh2 s ALA 28 Cb -0.10 -1.52 0.01 0.00 0.00 0.00 0.00 23.12 21.51 2kh2 s ALA 28 CO 0.06 -0.33 0.25 -0.48 0.00 0.00 0.00 175.76 175.26 2kh2 s LEU 29 N 1.30 1.15 0.09 0.00 0.05 -0.61 -2.75 118.68 117.91 2kh2 s LEU 29 Ca 0.04 -0.54 -0.31 0.00 0.05 0.00 0.00 54.13 53.37 2kh2 s LEU 29 Cb -0.14 1.25 -0.09 0.00 -2.05 0.00 0.00 46.19 45.15 2kh2 s LEU 29 CO -0.04 -0.75 1.69 -1.00 -0.55 0.00 0.00 176.35 175.69 2kh2 s HIS 30 N -3.75 2.43 -0.45 3.48 3.76 -1.26 -0.12 115.29 119.37 2kh2 s HIS 30 Ca 0.04 0.27 0.03 0.00 -0.15 0.00 0.00 55.06 55.24 2kh2 s HIS 30 Cb 0.04 -4.01 0.13 0.00 1.11 0.00 0.00 32.58 29.84 2kh2 s HIS 30 CO -0.11 -4.06 0.22 -1.17 -0.85 0.00 0.00 174.74 168.77 2kh2 s LEU 31 N 2.49 3.29 -0.09 0.89 2.96 -1.26 -4.88 118.68 122.07 2kh2 s LEU 31 Ca 0.75 -2.65 0.14 0.00 -0.22 0.00 0.00 54.13 52.15 2kh2 s LEU 31 Cb -0.42 -1.25 0.29 0.00 0.50 0.00 0.00 46.19 45.31 2kh2 s LEU 31 CO 0.33 -0.27 1.14 1.67 -1.32 0.00 0.00 176.35 177.90 2kh2 n GLN 32 N 3.54 0.80 0.00 1.98 7.27 -1.26 -4.88 117.38 124.83 2kh2 n GLN 32 Ca 0.06 -2.29 0.00 0.00 0.07 0.00 0.00 57.00 54.84 2kh2 n GLN 32 Cb 0.35 -0.98 0.00 0.00 2.41 0.00 0.00 30.24 32.01 2kh2 n GLN 32 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kh2 n GLY 33 N -0.61 5.56 0.24 1.69 0.00 -1.26 -5.02 105.19 105.79 2kh2 n GLY 33 Ca 0.11 -1.77 0.14 0.00 0.00 0.00 0.00 46.02 44.50 2kh2 n GLY 33 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2kh2 h GLN 34 N 0.00 0.00 -0.59 1.61 5.75 -2.02 -3.17 115.11 116.68 2kh2 h GLN 34 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2kh2 h GLN 34 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 2kh2 h GLN 34 CO 0.00 0.01 0.00 -0.25 -2.65 0.00 0.00 178.83 175.94 2kh2 n ASP 35 N -3.10 0.59 -0.22 -0.69 9.92 -1.26 -4.00 116.55 117.78 2kh2 n ASP 35 Ca 0.03 -1.75 -0.01 0.00 -0.53 0.00 0.00 54.79 52.53 2kh2 n ASP 35 Cb 0.46 -0.30 0.22 0.00 -0.64 0.00 0.00 41.12 40.85 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 0.09 1.01 -0.01 -1.24 4.05 -1.89 -1.69 114.93 115.25 2kh2 h MET 36 Ca 0.00 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 2kh2 h MET 36 Cb 0.30 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 2kh2 h MET 36 CO 0.00 0.71 0.00 0.39 0.23 0.00 0.00 176.91 178.24 2kh2 n GLU 37 N -4.39 1.02 -0.17 0.39 -0.58 -1.26 -2.87 120.64 112.79 2kh2 n GLU 37 Ca 0.08 -0.04 0.12 0.00 -0.42 0.00 0.00 57.16 56.90 2kh2 n GLU 37 Cb 0.06 -1.04 0.23 0.00 -0.57 0.00 0.00 31.44 30.12 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 -0.50 2.41 -1.68 3.49 6.02 -0.64 -4.96 117.38 121.52 2kh2 n GLN 38 Ca 0.02 -2.12 -0.31 0.00 -0.01 0.00 0.00 57.00 54.58 2kh2 n GLN 38 Cb 0.02 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 29.82 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 -1.56 3.05 -0.02 -1.09 -2.07 -1.14 -4.57 119.66 112.26 2kh2 s GLN 39 Ca 0.37 0.83 -0.15 0.00 -1.82 0.00 0.00 55.36 54.59 2kh2 s GLN 39 Cb 0.22 -2.01 -0.05 0.00 -1.09 0.00 0.00 33.01 30.07 2kh2 s GLN 39 CO 0.31 -0.98 0.41 0.08 -1.32 0.00 0.00 175.29 173.79 2kh2 s VAL 40 N -3.12 5.06 -0.15 3.63 1.01 0.00 -4.98 120.40 121.86 2kh2 s VAL 40 Ca 0.57 0.84 -0.03 0.00 0.00 0.00 0.00 61.98 63.36 2kh2 s VAL 40 Cb -0.13 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 2kh2 s VAL 40 CO 0.54 0.54 -0.03 -0.69 0.00 0.00 0.00 175.10 175.46 2kh2 s VAL 41 N -0.81 3.93 -0.04 2.92 1.01 -1.26 -4.65 120.40 121.49 2kh2 s VAL 41 Ca 0.24 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 2kh2 s VAL 41 Cb -0.16 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 2kh2 s VAL 41 CO 0.13 0.50 0.05 -0.36 0.00 0.00 0.00 175.10 175.42 2kh2 s PHE 42 N 0.24 3.23 -0.23 5.22 0.08 -0.13 -1.72 117.98 124.67 2kh2 s PHE 42 Ca -0.02 0.21 -0.15 0.00 0.12 0.00 0.00 56.93 57.08 2kh2 s PHE 42 Cb -0.14 -1.76 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 2kh2 s PHE 42 CO 0.03 0.53 0.37 0.45 -0.10 0.00 0.00 175.22 176.49 2kh2 s SER 43 N -1.39 6.35 -0.50 1.36 0.15 0.13 -1.05 113.70 118.75 2kh2 s SER 43 Ca 0.19 0.40 -0.12 0.00 0.70 0.00 0.00 55.95 57.12 2kh2 s SER 43 Cb -0.12 -2.21 0.12 0.00 -1.71 0.00 0.00 66.02 62.10 2kh2 s SER 43 CO 0.09 -0.10 0.41 -0.04 1.20 0.00 0.00 173.24 174.79 2kh2 s MET 44 N 1.56 2.70 0.05 5.44 -1.94 0.63 -2.66 119.30 125.07 2kh2 s MET 44 Ca 0.17 -1.73 -0.21 0.00 -1.71 0.00 0.00 55.69 52.21 2kh2 s MET 44 Cb -0.15 -4.08 -0.06 0.00 2.01 0.00 0.00 34.83 32.55 2kh2 s MET 44 CO 0.08 -1.24 0.62 -1.12 -0.01 0.00 0.00 175.02 173.35 2kh2 s SER 45 N 3.04 7.08 -0.77 3.03 0.01 -1.22 -1.52 113.70 123.35 2kh2 s SER 45 Ca 0.05 1.28 -0.25 0.00 1.31 0.00 0.00 55.95 58.34 2kh2 s SER 45 Cb -0.28 -2.39 0.05 0.00 0.21 0.00 0.00 66.02 63.61 2kh2 s SER 45 CO 0.01 0.17 1.21 0.12 0.41 0.00 0.00 173.24 175.16 2kh2 s PHE 46 N -0.62 2.46 1.01 2.43 2.19 0.27 -1.23 117.98 124.50 2kh2 s PHE 46 Ca 0.32 -0.36 -0.15 0.00 0.33 0.00 0.00 56.93 57.06 2kh2 s PHE 46 Cb -0.19 -4.53 0.20 0.00 -1.31 0.00 0.00 43.02 37.18 2kh2 s PHE 46 CO 0.19 -1.92 1.19 0.14 1.83 0.00 0.00 175.22 176.65 2kh2 s VAL 47 N 5.04 1.88 -0.76 3.12 -7.23 -1.19 -4.66 120.40 116.60 2kh2 s VAL 47 Ca 0.33 0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 60.37 2kh2 s VAL 47 Cb -0.09 -2.75 0.20 0.00 0.56 0.00 0.00 36.38 34.29 2kh2 s VAL 47 CO 0.09 0.00 0.69 -1.58 -0.31 0.00 0.00 175.10 173.99 2kh2 s GLN 48 N -5.51 3.39 0.00 4.82 2.00 -0.31 -4.88 119.66 119.16 2kh2 s GLN 48 Ca 0.69 -2.37 0.00 0.00 -2.00 0.00 0.00 55.36 51.68 2kh2 s GLN 48 Cb -0.10 -4.32 0.00 0.00 0.80 0.00 0.00 33.01 29.39 2kh2 s GLN 48 CO 0.54 -1.28 0.00 0.41 -0.50 0.00 0.00 175.29 174.46 2kh2 n GLY 49 N 4.09 5.14 3.41 2.59 0.00 -1.26 -4.94 105.19 114.22 2kh2 n GLY 49 Ca 0.09 -0.80 -0.44 0.00 0.00 0.00 0.00 46.02 44.87 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 4.48 3.31 -1.00 1.61 2.56 -1.26 -4.98 118.70 123.42 2kh2 s GLU 50 Ca 0.00 -1.50 -0.18 0.00 0.00 0.00 0.00 54.97 53.29 2kh2 s GLU 50 Cb 0.00 -4.50 0.12 0.00 2.00 0.00 0.00 34.13 31.75 2kh2 s GLU 50 CO 0.00 -1.66 1.24 -1.21 -0.56 0.00 0.00 175.26 173.08 2kh2 s GLU 51 N 2.71 3.69 0.00 4.30 2.02 -1.26 -4.18 118.70 125.98 2kh2 s GLU 51 Ca 0.22 -1.82 0.00 0.00 0.02 0.00 0.00 54.97 53.39 2kh2 s GLU 51 Cb -0.14 -5.03 0.00 0.00 0.10 0.00 0.00 34.13 29.06 2kh2 s GLU 51 CO -0.00 -1.85 0.00 0.43 0.02 0.00 0.00 175.26 173.86 2kh2 n SER 52 N 6.78 0.00 0.00 -0.19 7.64 -0.63 -5.04 113.62 122.18 2kh2 n SER 52 Ca 0.28 -0.77 -0.14 0.00 1.01 0.00 0.00 58.87 59.25 2kh2 n SER 52 Cb 0.48 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.54 2kh2 n SER 52 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 2kh2 h ASN 53 N 0.00 0.20 0.02 6.43 -0.73 -2.00 -3.41 115.58 116.09 2kh2 h ASN 53 Ca 0.00 -0.41 -0.39 0.00 1.87 0.00 0.00 56.30 57.37 2kh2 h ASN 53 Cb 0.00 -0.06 -0.06 0.00 0.27 0.00 0.00 38.32 38.47 2kh2 h ASN 53 CO 0.00 1.36 -2.33 -0.90 -0.37 0.00 0.00 177.43 175.19 2kh2 n ASP 54 N -3.26 2.00 -4.54 1.15 5.75 -1.26 -4.87 116.55 111.51 2kh2 n ASP 54 Ca -0.21 0.06 -0.41 0.00 -0.01 0.00 0.00 54.79 54.22 2kh2 n ASP 54 Cb 1.05 -0.62 -0.09 0.00 -1.03 0.00 0.00 41.12 40.43 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 -2.51 3.56 -0.23 0.11 2.20 -1.26 -2.26 119.74 119.35 2kh2 s LYS 55 Ca -0.33 -0.38 -0.03 0.00 -0.36 0.00 0.00 55.97 54.87 2kh2 s LYS 55 Cb 0.10 -3.81 0.01 0.00 -1.51 0.00 0.00 37.83 32.61 2kh2 s LYS 55 CO 0.61 -0.56 -0.06 0.42 -0.36 0.00 0.00 175.35 175.40 2kh2 s ILE 56 N 2.09 3.09 -0.36 5.43 -1.09 0.21 -1.61 121.20 128.97 2kh2 s ILE 56 Ca 0.13 -0.72 -0.27 0.00 -2.23 0.00 0.00 60.65 57.55 2kh2 s ILE 56 Cb -0.16 -2.46 0.02 0.00 -1.58 0.00 0.00 42.46 38.27 2kh2 s ILE 56 CO 0.12 0.35 1.01 -2.16 -1.23 0.00 0.00 174.94 173.02 2kh2 s PRO 57 N 1.41 3.91 0.10 2.79 0.04 -1.26 0.07 135.00 142.07 2kh2 s PRO 57 Ca 0.04 0.76 -0.02 0.00 0.04 0.00 0.00 61.00 61.81 2kh2 s PRO 57 Cb -0.15 -3.79 -0.04 0.00 0.04 0.00 0.00 34.50 30.56 2kh2 s PRO 57 CO -0.05 -0.99 0.05 0.14 0.04 0.00 0.00 177.00 176.20 2kh2 s VAL 58 N 3.67 0.14 0.15 -0.36 -7.23 -0.31 -3.15 120.40 113.30 2kh2 s VAL 58 Ca 0.42 -1.79 0.03 0.00 -1.81 0.00 0.00 61.98 58.83 2kh2 s VAL 58 Cb -0.11 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 2kh2 s VAL 58 CO 0.19 -0.64 0.23 0.00 -0.31 0.00 0.00 175.10 174.57 2kh2 s ALA 59 N -3.99 3.85 -0.31 1.32 0.00 -0.36 -0.40 121.76 121.86 2kh2 s ALA 59 Ca 0.17 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.08 2kh2 s ALA 59 Cb 0.07 -1.66 0.09 0.00 0.00 0.00 0.00 23.12 21.63 2kh2 s ALA 59 CO -0.03 0.55 0.04 -0.51 0.00 0.00 0.00 175.76 175.81 2kh2 s LEU 60 N -3.14 3.75 0.18 0.00 1.43 -1.26 -3.37 118.68 116.27 2kh2 s LEU 60 Ca 0.33 -1.86 0.06 0.00 -1.03 0.00 0.00 54.13 51.64 2kh2 s LEU 60 Cb -0.11 -1.36 -0.05 0.00 0.03 0.00 0.00 46.19 44.70 2kh2 s LEU 60 CO 0.27 -0.36 -0.13 -0.83 0.23 0.00 0.00 176.35 175.53 2kh2 s GLY 61 N 1.16 1.27 0.32 -3.19 0.00 -1.09 -0.81 107.32 104.99 2kh2 s GLY 61 Ca 0.08 -1.58 -0.28 0.00 0.00 0.00 0.00 44.72 42.94 2kh2 s GLY 61 CO -0.12 -1.68 1.09 1.08 0.00 0.00 0.00 173.10 173.47 2kh2 s LEU 62 N -3.23 4.41 0.16 0.66 1.02 -0.40 0.17 118.68 121.46 2kh2 s LEU 62 Ca 0.20 2.21 -0.31 0.00 0.02 0.00 0.00 54.13 56.24 2kh2 s LEU 62 Cb 0.00 -3.82 -0.11 0.00 0.02 0.00 0.00 46.19 42.29 2kh2 s LEU 62 CO 0.04 -0.28 1.69 -0.75 0.02 0.00 0.00 176.35 177.06 2kh2 s LYS 63 N -1.81 4.17 -1.48 1.70 2.20 -0.70 -2.73 119.74 121.08 2kh2 s LYS 63 Ca 0.49 2.49 -0.06 0.00 -0.36 0.00 0.00 55.97 58.54 2kh2 s LYS 63 Cb -0.29 -3.27 0.05 0.00 -1.51 0.00 0.00 37.83 32.80 2kh2 s LYS 63 CO 0.37 -0.72 0.56 -0.85 -0.36 0.00 0.00 175.35 174.35 2kh2 n GLU 64 N 4.54 -3.51 -4.10 4.03 0.28 -1.26 -4.97 120.64 115.65 2kh2 n GLU 64 Ca 0.16 0.42 -0.10 0.00 -0.16 0.00 0.00 57.16 57.48 2kh2 n GLU 64 Cb 0.38 -4.77 -0.09 0.00 1.43 0.00 0.00 31.44 28.39 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 -6.63 1.04 -0.24 3.44 -0.14 -1.11 -5.04 119.74 111.06 2kh2 s LYS 65 Ca 0.23 -1.39 0.14 0.00 -1.36 0.00 0.00 55.97 53.59 2kh2 s LYS 65 Cb -0.12 0.29 0.68 0.00 -1.68 0.00 0.00 37.83 36.99 2kh2 s LYS 65 CO 0.89 -0.33 1.62 0.27 -0.76 0.00 0.00 175.35 177.04 2kh2 n ASN 66 N -0.15 4.65 -4.40 2.83 6.94 -1.26 -4.74 115.26 119.12 2kh2 n ASN 66 Ca -0.05 -3.09 -0.34 0.00 -0.02 0.00 0.00 54.58 51.09 2kh2 n ASN 66 Cb 0.64 -0.64 -0.13 0.00 -2.36 0.00 0.00 39.78 37.28 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 -2.88 2.98 0.08 -4.53 1.43 -1.26 -1.90 118.68 112.60 2kh2 s LEU 67 Ca 0.50 -0.27 0.07 0.00 -1.03 0.00 0.00 54.13 53.40 2kh2 s LEU 67 Cb 0.39 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.87 2kh2 s LEU 67 CO 0.12 0.11 -0.18 -0.31 0.23 0.00 0.00 176.35 176.31 2kh2 s TYR 68 N 0.69 1.59 0.01 0.29 1.51 -0.20 -1.28 117.35 119.97 2kh2 s TYR 68 Ca -0.03 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.31 2kh2 s TYR 68 Cb -0.15 -0.89 -0.05 0.00 -0.11 0.00 0.00 41.96 40.76 2kh2 s TYR 68 CO 0.02 0.13 1.29 -0.51 -1.11 0.00 0.00 175.55 175.38 2kh2 s LEU 69 N -1.66 4.33 -0.01 -1.29 1.43 0.01 -0.48 118.68 121.01 2kh2 s LEU 69 Ca 0.04 2.03 0.06 0.00 -1.03 0.00 0.00 54.13 55.23 2kh2 s LEU 69 Cb -0.10 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.54 2kh2 s LEU 69 CO 0.03 -0.61 -0.20 -0.55 0.23 0.00 0.00 176.35 175.25 2kh2 s SER 70 N 1.48 2.32 -0.39 2.29 0.15 0.52 -4.61 113.70 115.45 2kh2 s SER 70 Ca 0.60 -0.38 -0.11 0.00 0.70 0.00 0.00 55.95 56.76 2kh2 s SER 70 Cb -0.30 -0.25 0.04 0.00 -1.71 0.00 0.00 66.02 63.81 2kh2 s SER 70 CO 0.26 0.23 0.24 0.00 1.20 0.00 0.00 173.24 175.17 2kh2 s VAL 72 N 1.55 0.97 -0.25 0.00 -7.23 -0.72 -4.72 120.40 110.00 2kh2 s VAL 72 Ca 0.02 -2.02 -0.12 0.00 -1.81 0.00 0.00 61.98 58.05 2kh2 s VAL 72 Cb -0.20 -2.36 -0.05 0.00 0.56 0.00 0.00 36.38 34.33 2kh2 s VAL 72 CO 0.06 -0.30 0.22 -0.76 -0.31 0.00 0.00 175.10 174.01 2kh2 s LEU 73 N -3.30 4.08 -0.19 1.32 1.43 -1.26 0.57 118.68 121.33 2kh2 s LEU 73 Ca 0.29 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.53 2kh2 s LEU 73 Cb 0.06 -2.19 0.04 0.00 0.03 0.00 0.00 46.19 44.13 2kh2 s LEU 73 CO 0.09 -0.01 -0.09 -0.54 0.23 0.00 0.00 176.35 176.02 2kh2 s LYS 74 N 1.43 1.92 -1.09 1.70 1.02 0.23 -4.81 119.74 120.13 2kh2 s LYS 74 Ca 0.09 -0.75 -0.06 0.00 0.02 0.00 0.00 55.97 55.28 2kh2 s LYS 74 Cb -0.15 -2.30 -0.05 0.00 -0.52 0.00 0.00 37.83 34.81 2kh2 s LYS 74 CO 0.08 -0.41 0.92 -3.47 -0.92 0.00 0.00 175.35 171.54 2kh2 n ASP 75 N 4.73 -5.48 -2.20 2.83 4.64 -1.26 -2.91 116.55 116.91 2kh2 n ASP 75 Ca -0.14 -0.72 -0.20 0.00 -1.38 0.00 0.00 54.79 52.35 2kh2 n ASP 75 Cb 0.47 -5.02 -0.03 0.00 -1.04 0.00 0.00 41.12 35.50 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 -3.16 -5.65 -3.69 1.67 9.92 -1.26 -4.97 116.55 109.41 2kh2 n ASP 76 Ca -0.12 0.13 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 2kh2 n ASP 76 Cb 0.63 -4.78 -0.10 0.00 -0.64 0.00 0.00 41.12 36.24 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2kh2 s LYS 77 N -4.71 0.51 0.10 -1.24 2.47 -1.15 -5.13 119.74 110.59 2kh2 s LYS 77 Ca 0.00 0.86 -0.31 0.00 -1.56 0.00 0.00 55.97 54.96 2kh2 s LYS 77 Cb 0.00 0.09 -0.09 0.00 -1.46 0.00 0.00 37.83 36.37 2kh2 s LYS 77 CO 0.00 -0.13 1.72 -2.14 0.16 0.00 0.00 175.35 174.95 2kh2 s PRO 78 N 1.16 4.17 0.08 4.03 0.02 -1.26 -0.60 135.00 142.60 2kh2 s PRO 78 Ca -0.07 2.44 0.04 0.00 0.02 0.00 0.00 61.00 63.43 2kh2 s PRO 78 Cb -0.06 -3.56 -0.03 0.00 0.02 0.00 0.00 34.50 30.87 2kh2 s PRO 78 CO -0.11 -0.77 -0.11 0.95 -0.33 0.00 0.00 177.00 176.64 2kh2 s THR 79 N 2.55 0.91 -0.02 0.99 -4.23 0.19 -4.81 115.64 111.22 2kh2 s THR 79 Ca 0.76 -1.49 -0.09 0.00 -1.18 0.00 0.00 61.69 59.70 2kh2 s THR 79 Cb -0.43 -1.19 -0.05 0.00 1.34 0.00 0.00 72.50 72.18 2kh2 s THR 79 CO 0.34 -0.47 0.28 -0.22 -0.54 0.00 0.00 174.62 174.01 2kh2 s LEU 80 N -2.17 4.40 0.30 4.79 2.96 -1.26 -1.75 118.68 125.94 2kh2 s LEU 80 Ca 0.02 0.66 -0.14 0.00 -0.22 0.00 0.00 54.13 54.44 2kh2 s LEU 80 Cb -0.05 -2.53 0.02 0.00 0.50 0.00 0.00 46.19 44.12 2kh2 s LEU 80 CO 0.01 0.30 0.61 0.00 -1.32 0.00 0.00 176.35 175.95 2kh2 s GLN 81 N -1.43 1.81 -0.26 1.98 -2.07 -0.62 -4.94 119.66 114.14 2kh2 s GLN 81 Ca 0.24 -1.28 -0.07 0.00 -1.82 0.00 0.00 55.36 52.42 2kh2 s GLN 81 Cb -0.14 0.54 -0.02 0.00 -1.09 0.00 0.00 33.01 32.30 2kh2 s GLN 81 CO 0.13 -0.80 0.07 -0.51 -1.32 0.00 0.00 175.29 172.86 2kh2 s LEU 82 N -3.03 3.51 0.00 2.60 2.01 -1.26 -0.36 118.68 122.15 2kh2 s LEU 82 Ca 0.19 -0.28 -0.00 0.00 0.01 0.00 0.00 54.13 54.05 2kh2 s LEU 82 Cb -0.03 -1.92 -0.04 0.00 0.01 0.00 0.00 46.19 44.21 2kh2 s LEU 82 CO 0.10 -0.06 0.09 -1.61 1.01 0.00 0.00 176.35 175.88 2kh2 s GLU 83 N 1.60 3.08 -0.26 1.70 2.02 0.37 -4.89 118.70 122.32 2kh2 s GLU 83 Ca 0.06 -0.49 -0.10 0.00 0.02 0.00 0.00 54.97 54.46 2kh2 s GLU 83 Cb -0.15 -2.86 -0.05 0.00 0.10 0.00 0.00 34.13 31.17 2kh2 s GLU 83 CO 0.04 0.64 0.15 -1.12 0.02 0.00 0.00 175.26 174.99 2kh2 s SER 84 N -1.80 5.86 0.24 -0.19 0.01 -1.26 -1.03 113.70 115.52 2kh2 s SER 84 Ca 0.24 -0.01 0.08 0.00 1.31 0.00 0.00 55.95 57.57 2kh2 s SER 84 Cb -0.12 -2.07 -0.05 0.00 0.21 0.00 0.00 66.02 63.99 2kh2 s SER 84 CO 0.15 -0.00 -0.12 0.68 0.41 0.00 0.00 173.24 174.36 2kh2 s VAL 85 N 1.45 1.80 -0.25 3.43 -7.23 -0.80 -5.04 120.40 113.76 2kh2 s VAL 85 Ca 0.07 -2.21 -0.34 0.00 -1.81 0.00 0.00 61.98 57.69 2kh2 s VAL 85 Cb -0.15 -2.22 -0.11 0.00 0.56 0.00 0.00 36.38 34.46 2kh2 s VAL 85 CO 0.07 -0.47 2.06 -0.67 -0.31 0.00 0.00 175.10 175.78 2kh2 n ASP 86 N -0.48 2.68 0.31 4.85 4.64 -1.26 -4.84 116.55 122.45 2kh2 n ASP 86 Ca -0.07 0.61 0.20 0.00 -1.38 0.00 0.00 54.79 54.15 2kh2 n ASP 86 Cb 0.61 -1.32 1.01 0.00 -1.04 0.00 0.00 41.12 40.38 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 11.33 0.00 0.00 -0.67 0.13 -1.92 -1.68 132.00 139.19 2kh2 h PRO 87 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2kh2 h PRO 87 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2kh2 h PRO 87 CO 0.99 0.01 -1.09 0.36 -0.23 0.00 0.00 178.00 178.04 2kh2 n LYS 88 N -3.19 0.28 -0.03 0.86 2.85 -1.26 -4.05 118.16 113.62 2kh2 n LYS 88 Ca -0.02 -0.02 0.08 0.00 -1.05 0.00 0.00 58.31 57.30 2kh2 n LYS 88 Cb 0.15 -1.57 0.08 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 -1.92 2.46 -4.10 -5.58 3.02 -0.76 -4.97 115.26 103.42 2kh2 n ASN 89 Ca 0.02 -1.71 -0.17 0.00 -0.03 0.00 0.00 54.58 52.69 2kh2 n ASN 89 Cb 0.43 -0.03 -0.12 0.00 -0.61 0.00 0.00 39.78 39.44 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 -1.33 0.93 0.34 3.10 1.51 -0.71 -4.54 117.35 116.65 2kh2 s TYR 90 Ca 0.21 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.83 2kh2 s TYR 90 Cb 0.14 -0.55 0.07 0.00 -0.11 0.00 0.00 41.96 41.52 2kh2 s TYR 90 CO 0.21 -0.01 0.46 -0.35 -1.11 0.00 0.00 175.55 174.75 2kh2 n PRO 91 N 1.75 -0.19 -3.88 -1.71 -0.04 -1.26 -4.78 135.00 124.87 2kh2 n PRO 91 Ca -0.20 -0.87 -0.09 0.00 -0.04 0.00 0.00 63.50 62.30 2kh2 n PRO 91 Cb 0.55 -0.42 -0.05 0.00 -0.04 0.00 0.00 33.50 33.54 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 -3.85 1.34 0.05 0.54 -2.85 -1.26 -5.07 119.74 108.64 2kh2 s LYS 92 Ca 0.27 -1.07 -0.21 0.00 -1.00 0.00 0.00 55.97 53.96 2kh2 s LYS 92 Cb -0.01 0.46 -0.13 0.00 -2.06 0.00 0.00 37.83 36.09 2kh2 s LYS 92 CO 0.19 -0.54 1.45 -0.22 0.10 0.00 0.00 175.35 176.33 2kh2 h LYS 93 N 2.34 0.29 -3.70 1.78 3.11 -1.97 -3.36 116.57 115.06 2kh2 h LYS 93 Ca -0.29 -0.11 -0.79 0.00 -2.81 0.00 0.00 60.65 56.65 2kh2 h LYS 93 Cb 1.25 -0.02 -0.27 0.00 -1.00 0.00 0.00 32.23 32.18 2kh2 h LYS 93 CO 0.41 0.56 0.22 0.21 -2.81 0.00 0.00 179.45 178.03 2kh2 s LYS 94 N -4.79 3.80 0.69 1.90 2.47 -1.26 -1.16 119.74 121.39 2kh2 s LYS 94 Ca -0.14 -2.79 -0.08 0.00 -1.56 0.00 0.00 55.97 51.40 2kh2 s LYS 94 Cb 0.06 -4.45 0.04 0.00 -1.46 0.00 0.00 37.83 32.02 2kh2 s LYS 94 CO 0.72 -1.27 1.03 -1.64 0.16 0.00 0.00 175.35 174.35 2kh2 s MET 95 N -0.45 2.53 0.65 4.03 -1.94 -1.26 -5.03 119.30 117.83 2kh2 s MET 95 Ca 0.23 0.05 -0.17 0.00 -1.71 0.00 0.00 55.69 54.09 2kh2 s MET 95 Cb -0.10 -2.13 -0.01 0.00 2.01 0.00 0.00 34.83 34.60 2kh2 s MET 95 CO -0.09 -1.09 1.22 -1.21 -0.01 0.00 0.00 175.02 173.85 2kh2 s GLU 96 N -5.25 2.62 0.52 2.03 8.01 -1.26 -4.86 118.70 120.51 2kh2 s GLU 96 Ca 0.58 1.84 0.19 0.00 0.01 0.00 0.00 54.97 57.59 2kh2 s GLU 96 Cb -0.11 -1.88 1.30 0.00 -4.31 0.00 0.00 34.13 29.13 2kh2 s GLU 96 CO 0.47 -1.48 2.10 -0.22 0.01 0.00 0.00 175.26 176.14 2kh2 h LYS 97 N 0.42 0.01 0.00 1.61 1.63 -1.96 0.26 116.57 118.54 2kh2 h LYS 97 Ca -0.50 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 2kh2 h LYS 97 Cb 1.30 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 2kh2 h LYS 97 CO 0.53 0.01 0.00 2.89 -3.45 0.00 0.00 179.45 179.43 2kh2 n ARG 98 N -4.49 0.02 0.00 1.90 1.85 -1.26 -2.99 116.66 111.69 2kh2 n ARG 98 Ca 0.01 0.01 0.08 0.00 -1.00 0.00 0.00 57.85 56.95 2kh2 n ARG 98 Cb 0.26 -1.50 0.06 0.00 -1.05 0.00 0.00 32.46 30.22 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 -1.49 0.00 -3.48 2.89 3.72 0.05 -1.44 117.46 117.71 2kh2 n PHE 99 Ca 0.07 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.09 2kh2 n PHE 99 Cb 0.33 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.78 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 -1.41 5.24 0.05 -4.37 1.01 -1.02 -4.10 120.40 115.81 2kh2 s VAL 100 Ca 0.18 0.43 0.04 0.00 0.00 0.00 0.00 61.98 62.63 2kh2 s VAL 100 Cb 0.13 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 2kh2 s VAL 100 CO 0.23 0.22 -0.05 -0.36 0.00 0.00 0.00 175.10 175.14 2kh2 s PHE 101 N 1.76 2.90 -0.48 5.22 0.40 0.46 -2.45 117.98 125.78 2kh2 s PHE 101 Ca 0.12 -0.05 -0.13 0.00 -0.60 0.00 0.00 56.93 56.27 2kh2 s PHE 101 Cb -0.15 -1.55 0.10 0.00 0.51 0.00 0.00 43.02 41.93 2kh2 s PHE 101 CO 0.09 0.42 0.39 -0.80 0.70 0.00 0.00 175.22 176.03 2kh2 s ASN 102 N -1.89 5.96 -0.66 1.36 0.02 0.27 -1.16 114.94 118.85 2kh2 s ASN 102 Ca 0.21 -1.65 -0.26 0.00 -1.02 0.00 0.00 52.86 50.14 2kh2 s ASN 102 Cb -0.11 -2.11 0.04 0.00 0.02 0.00 0.00 41.25 39.08 2kh2 s ASN 102 CO 0.12 -0.71 1.13 -0.75 0.02 0.00 0.00 177.10 176.92 2kh2 s LYS 103 N 1.52 3.26 -0.08 -0.60 2.20 0.11 -0.74 119.74 125.41 2kh2 s LYS 103 Ca 0.04 -0.29 -0.06 0.00 -0.36 0.00 0.00 55.97 55.30 2kh2 s LYS 103 Cb -0.26 -4.14 -0.04 0.00 -1.51 0.00 0.00 37.83 31.88 2kh2 s LYS 103 CO 0.03 -1.86 0.17 0.42 -0.36 0.00 0.00 175.35 173.74 2kh2 s ILE 104 N 4.88 5.46 -0.50 5.43 1.01 -0.05 -0.62 121.20 136.80 2kh2 s ILE 104 Ca 0.33 0.12 0.03 0.00 0.00 0.00 0.00 60.65 61.13 2kh2 s ILE 104 Cb -0.11 -3.46 0.15 0.00 0.01 0.00 0.00 42.46 39.05 2kh2 s ILE 104 CO 0.17 0.52 0.31 -1.61 0.00 0.00 0.00 174.94 174.32 2kh2 s GLU 105 N -1.34 1.58 0.21 2.79 2.02 -0.96 -0.34 118.70 122.67 2kh2 s GLU 105 Ca 0.20 -2.40 -0.09 0.00 0.02 0.00 0.00 54.97 52.70 2kh2 s GLU 105 Cb -0.12 -2.57 0.17 0.00 0.10 0.00 0.00 34.13 31.70 2kh2 s GLU 105 CO 0.09 -1.21 1.84 -0.84 0.02 0.00 0.00 175.26 175.16 2kh2 h ILE 106 N 5.00 1.24 0.00 -1.63 3.07 -1.89 -3.46 117.51 119.84 2kh2 h ILE 106 Ca 0.06 -0.58 0.00 0.00 1.55 0.00 0.00 64.86 65.89 2kh2 h ILE 106 Cb 0.88 0.16 0.00 0.00 -0.27 0.00 0.00 36.82 37.59 2kh2 h ILE 106 CO 0.54 0.26 0.00 -0.46 -1.05 0.00 0.00 178.15 177.45 2kh2 n ASN 107 N -4.42 0.00 -0.00 2.16 0.23 -1.26 -5.00 115.26 106.96 2kh2 n ASN 107 Ca 0.08 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 54.20 2kh2 n ASN 107 Cb 0.09 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.70 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 0.77 -4.76 0.53 6.94 -1.26 -4.94 115.26 112.54 2kh2 n ASN 108 Ca 0.00 -0.75 -0.33 0.00 -0.02 0.00 0.00 54.58 53.47 2kh2 n ASN 108 Cb 0.00 1.07 -0.07 0.00 -2.36 0.00 0.00 39.78 38.41 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 -2.42 3.03 -0.08 -3.83 -0.14 -1.26 -4.95 119.74 110.09 2kh2 s LYS 109 Ca 0.04 -0.49 0.01 0.00 -1.36 0.00 0.00 55.97 54.18 2kh2 s LYS 109 Cb 0.11 -2.84 -0.03 0.00 -1.68 0.00 0.00 37.83 33.40 2kh2 s LYS 109 CO 0.59 0.65 -0.10 -0.48 -0.76 0.00 0.00 175.35 175.25 2kh2 s LEU 110 N -1.60 2.95 0.03 3.17 2.34 -0.45 -3.65 118.68 121.47 2kh2 s LEU 110 Ca 0.21 -0.14 0.05 0.00 0.06 0.00 0.00 54.13 54.32 2kh2 s LEU 110 Cb -0.12 -1.64 -0.03 0.00 -0.56 0.00 0.00 46.19 43.84 2kh2 s LEU 110 CO 0.12 0.31 -0.12 -1.61 -1.06 0.00 0.00 176.35 173.99 2kh2 s GLU 111 N -0.50 2.29 -0.38 1.48 2.02 0.54 0.18 118.70 124.33 2kh2 s GLU 111 Ca 0.07 -0.87 -0.08 0.00 0.02 0.00 0.00 54.97 54.11 2kh2 s GLU 111 Cb -0.12 -2.34 0.06 0.00 0.10 0.00 0.00 34.13 31.83 2kh2 s GLU 111 CO 0.02 0.56 0.19 -0.06 0.02 0.00 0.00 175.26 176.00 2kh2 s PHE 112 N -1.00 3.31 0.06 1.61 0.08 -1.26 -0.87 117.98 119.92 2kh2 s PHE 112 Ca 0.17 -1.48 -0.04 0.00 0.12 0.00 0.00 56.93 55.69 2kh2 s PHE 112 Cb -0.11 -2.67 -0.05 0.00 -0.57 0.00 0.00 43.02 39.62 2kh2 s PHE 112 CO 0.07 -0.79 0.28 -2.00 -0.10 0.00 0.00 175.22 172.69 2kh2 s GLU 113 N 1.41 3.55 -0.06 0.44 2.12 0.08 -1.02 118.70 125.22 2kh2 s GLU 113 Ca 0.02 -0.17 -0.24 0.00 0.36 0.00 0.00 54.97 54.93 2kh2 s GLU 113 Cb -0.21 -3.00 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 2kh2 s GLU 113 CO 0.02 0.58 0.73 0.45 -0.54 0.00 0.00 175.26 176.51 2kh2 s SER 114 N -2.13 7.03 0.21 -1.70 0.15 0.17 0.98 113.70 118.41 2kh2 s SER 114 Ca 0.33 1.24 -0.03 0.00 0.70 0.00 0.00 55.95 58.19 2kh2 s SER 114 Cb -0.13 -2.43 0.17 0.00 -1.71 0.00 0.00 66.02 61.92 2kh2 s SER 114 CO 0.22 -0.14 1.58 0.00 1.20 0.00 0.00 173.24 176.10 2kh2 h ALA 115 N 6.77 0.82 -0.30 5.45 0.00 -1.72 -2.89 119.26 127.39 2kh2 h ALA 115 Ca -0.41 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 53.97 2kh2 h ALA 115 Cb 1.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2kh2 h ALA 115 CO 0.75 0.64 -0.28 0.37 0.00 0.00 0.00 179.25 180.74 2kh2 h GLN 116 N 0.56 0.61 -3.42 0.00 5.75 -1.77 -3.38 115.11 113.46 2kh2 h GLN 116 Ca 0.06 -0.25 -0.62 0.00 -0.15 0.00 0.00 58.65 57.68 2kh2 h GLN 116 Cb 0.88 -0.02 -0.40 0.00 1.07 0.00 0.00 27.48 29.00 2kh2 h GLN 116 CO 0.08 0.82 -0.71 -0.06 -2.65 0.00 0.00 178.83 176.31 2kh2 s PHE 117 N -4.48 2.45 0.42 3.99 0.08 -1.10 -5.08 117.98 114.26 2kh2 s PHE 117 Ca -0.08 -2.55 -0.26 0.00 0.12 0.00 0.00 56.93 54.16 2kh2 s PHE 117 Cb 0.13 -2.21 -0.10 0.00 -0.57 0.00 0.00 43.02 40.27 2kh2 s PHE 117 CO 0.82 -0.81 1.45 -2.30 -0.10 0.00 0.00 175.22 174.27 2kh2 n PRO 118 N 3.79 2.42 -0.93 0.24 -0.02 -1.17 -2.02 135.00 137.30 2kh2 n PRO 118 Ca 0.05 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 2kh2 n PRO 118 Cb 0.36 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 2kh2 n PRO 118 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2kh2 n ASN 119 N 0.12 -0.15 -4.39 2.55 5.15 -1.26 -4.98 115.26 112.29 2kh2 n ASN 119 Ca 0.04 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.60 2kh2 n ASN 119 Cb 0.40 -0.42 -0.10 0.00 -0.53 0.00 0.00 39.78 39.14 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 2kh2 s TRP 120 N -3.46 3.26 0.12 1.20 0.52 -0.86 -4.35 118.94 115.38 2kh2 s TRP 120 Ca 0.00 -0.93 0.05 0.00 0.02 0.00 0.00 56.10 55.24 2kh2 s TRP 120 Cb 0.00 -2.69 -0.04 0.00 -1.15 0.00 0.00 33.47 29.59 2kh2 s TRP 120 CO 0.00 -0.69 0.08 0.71 0.02 0.00 0.00 176.95 177.07 2kh2 s TYR 121 N 1.59 3.10 -0.12 -1.98 1.51 0.12 -0.65 117.35 120.92 2kh2 s TYR 121 Ca 0.03 0.00 -0.29 0.00 -1.01 0.00 0.00 57.07 55.80 2kh2 s TYR 121 Cb -0.21 -1.54 -0.04 0.00 -0.11 0.00 0.00 41.96 40.07 2kh2 s TYR 121 CO 0.07 0.51 1.58 0.42 -1.11 0.00 0.00 175.55 177.03 2kh2 s ILE 122 N -1.55 3.72 0.24 2.71 1.01 -0.19 -0.37 121.20 126.78 2kh2 s ILE 122 Ca 0.29 0.86 0.11 0.00 0.00 0.00 0.00 60.65 61.91 2kh2 s ILE 122 Cb -0.11 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 2kh2 s ILE 122 CO 0.21 -0.14 -0.16 -0.44 0.00 0.00 0.00 174.94 174.42 2kh2 s SER 123 N 3.42 3.84 0.07 3.58 0.01 0.66 -4.48 113.70 120.81 2kh2 s SER 123 Ca 0.70 -0.85 0.04 0.00 1.31 0.00 0.00 55.95 57.15 2kh2 s SER 123 Cb -0.29 -0.46 -0.03 0.00 0.21 0.00 0.00 66.02 65.45 2kh2 s SER 123 CO 0.27 0.06 -0.11 0.42 0.41 0.00 0.00 173.24 174.29 2kh2 s THR 124 N -2.15 0.89 0.50 1.44 -4.23 -0.49 -2.48 115.64 109.13 2kh2 s THR 124 Ca 0.27 -1.34 -0.00 0.00 -1.18 0.00 0.00 61.69 59.44 2kh2 s THR 124 Cb -0.07 -1.02 0.01 0.00 1.34 0.00 0.00 72.50 72.76 2kh2 s THR 124 CO 0.15 -0.37 0.73 -0.44 -0.54 0.00 0.00 174.62 174.15 2kh2 s SER 125 N -1.90 5.66 0.45 3.99 0.01 -1.26 0.13 113.70 120.77 2kh2 s SER 125 Ca -0.02 0.28 0.25 0.00 1.31 0.00 0.00 55.95 57.77 2kh2 s SER 125 Cb -0.08 -1.40 0.64 0.00 0.21 0.00 0.00 66.02 65.39 2kh2 s SER 125 CO 0.01 -0.87 1.71 1.56 0.41 0.00 0.00 173.24 176.07 2kh2 h GLN 126 N 0.23 0.00 -7.06 12.44 1.08 -1.96 -3.46 115.11 116.38 2kh2 h GLN 126 Ca -0.45 0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.27 2kh2 h GLN 126 Cb 1.26 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.73 2kh2 h GLN 126 CO 0.57 0.08 0.40 0.00 -0.95 0.00 0.00 178.83 178.92 2kh2 s ALA 127 N -3.35 2.87 0.32 3.87 0.00 -1.26 -5.03 121.76 119.18 2kh2 s ALA 127 Ca 0.04 0.65 -0.22 0.00 0.00 0.00 0.00 51.96 52.43 2kh2 s ALA 127 Cb 0.07 -3.27 -0.10 0.00 0.00 0.00 0.00 23.12 19.82 2kh2 s ALA 127 CO 0.64 -0.37 0.87 -2.00 0.00 0.00 0.00 175.76 174.90 2kh2 s GLU 128 N -3.16 4.37 -0.73 0.00 2.56 -1.26 -3.84 118.70 116.63 2kh2 s GLU 128 Ca 0.67 1.10 0.00 0.00 0.00 0.00 0.00 54.97 56.74 2kh2 s GLU 128 Cb -0.18 -2.65 0.00 0.00 2.00 0.00 0.00 34.13 33.30 2kh2 s GLU 128 CO 0.22 0.23 0.00 -1.71 -0.56 0.00 0.00 175.26 173.44 2kh2 n ASN 129 N 0.25 -3.24 -4.74 -1.70 5.15 -1.11 -5.01 115.26 104.85 2kh2 n ASN 129 Ca 0.02 0.06 -0.37 0.00 -0.60 0.00 0.00 54.58 53.69 2kh2 n ASN 129 Cb 0.51 -2.17 -0.06 0.00 -0.53 0.00 0.00 39.78 37.53 2kh2 n ASN 129 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2kh2 s MET 130 N -3.79 4.26 1.08 1.20 -1.94 -1.20 -4.81 119.30 114.10 2kh2 s MET 130 Ca 0.00 0.33 -0.14 0.00 -1.71 0.00 0.00 55.69 54.17 2kh2 s MET 130 Cb 0.00 -3.41 0.23 0.00 2.01 0.00 0.00 34.83 33.67 2kh2 s MET 130 CO 0.00 0.24 1.07 -2.14 -0.01 0.00 0.00 175.02 174.19 2kh2 s PRO 131 N 0.38 -0.27 0.07 2.03 0.02 -1.26 -0.44 135.00 135.54 2kh2 s PRO 131 Ca 0.23 0.47 -0.20 0.00 0.02 0.00 0.00 61.00 61.52 2kh2 s PRO 131 Cb -0.15 -1.66 -0.07 0.00 0.02 0.00 0.00 34.50 32.65 2kh2 s PRO 131 CO 0.09 -3.19 0.60 0.08 -0.33 0.00 0.00 177.00 174.24 2kh2 s VAL 132 N -2.84 4.72 0.20 3.83 1.01 -0.93 -4.69 120.40 121.69 2kh2 s VAL 132 Ca 0.67 1.28 -0.05 0.00 0.00 0.00 0.00 61.98 63.87 2kh2 s VAL 132 Cb -0.19 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2kh2 s VAL 132 CO 0.59 0.54 0.23 0.72 0.00 0.00 0.00 175.10 177.18 2kh2 s PHE 133 N -1.01 0.84 -0.22 5.22 -0.71 -1.03 -4.89 117.98 116.16 2kh2 s PHE 133 Ca 0.30 -1.12 -0.11 0.00 -1.04 0.00 0.00 56.93 54.96 2kh2 s PHE 133 Cb -0.20 -0.29 -0.05 0.00 -1.21 0.00 0.00 43.02 41.27 2kh2 s PHE 133 CO 0.20 -0.73 0.18 -1.17 -1.34 0.00 0.00 175.22 172.35 2kh2 s LEU 134 N -3.09 4.15 0.13 -1.99 2.96 -1.26 -0.24 118.68 119.33 2kh2 s LEU 134 Ca 0.31 0.19 0.07 0.00 -0.22 0.00 0.00 54.13 54.48 2kh2 s LEU 134 Cb 0.05 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 2kh2 s LEU 134 CO 0.09 0.08 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.21 2kh2 s GLY 135 N 0.86 1.17 -0.11 7.98 0.00 0.50 -4.87 107.32 112.85 2kh2 s GLY 135 Ca 0.09 -1.32 0.15 0.00 0.00 0.00 0.00 44.72 43.64 2kh2 s GLY 135 CO 0.03 -1.37 1.20 0.61 0.00 0.00 0.00 173.10 173.58 2kh2 n GLY 136 N 0.58 4.20 3.03 0.20 0.00 -1.26 0.15 105.19 112.08 2kh2 n GLY 136 Ca -0.16 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.89 2.50 -2.56 2.61 -1.04 -1.26 -4.91 114.28 108.72 2kh2 n THR 137 Ca 0.14 -5.03 -0.41 0.00 -2.04 0.00 0.00 64.05 56.72 2kh2 n THR 137 Cb 0.62 -2.30 -0.04 0.00 -1.82 0.00 0.00 70.33 66.79 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 -1.44 4.61 0.00 -2.82 2.20 -1.26 -3.01 119.74 118.02 2kh2 s LYS 138 Ca 0.27 1.65 0.00 0.00 -0.36 0.00 0.00 55.97 57.53 2kh2 s LYS 138 Cb -0.06 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 2kh2 s LYS 138 CO -0.14 0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.34 2kh2 n GLY 139 N 2.21 0.48 0.00 5.54 0.00 -1.26 -5.03 105.19 107.13 2kh2 n GLY 139 Ca 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.90 1.06 0.14 -0.02 0.00 -1.16 -5.01 105.19 97.29 2kh2 n GLY 140 Ca 0.00 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 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 0.29 -7.45 1.61 7.50 -1.96 -3.47 115.11 111.63 2kh2 h GLN 141 Ca 0.00 -0.50 -0.45 0.00 0.50 0.00 0.00 58.65 58.20 2kh2 h GLN 141 Cb 0.00 0.19 0.15 0.00 0.05 0.00 0.00 27.48 27.86 2kh2 h GLN 141 CO 0.00 1.24 0.25 -0.51 -1.50 0.00 0.00 178.83 178.31 2kh2 s ASP 142 N -7.12 3.00 -0.17 1.46 1.01 -1.26 -4.67 116.67 108.91 2kh2 s ASP 142 Ca -0.20 1.00 -0.07 0.00 0.71 0.00 0.00 52.55 53.99 2kh2 s ASP 142 Cb 0.06 -1.58 -0.04 0.00 1.01 0.00 0.00 42.92 42.37 2kh2 s ASP 142 CO 0.79 -2.87 0.06 -0.63 0.21 0.00 0.00 175.17 172.72 2kh2 s ILE 143 N -3.16 4.74 -0.37 0.77 1.01 0.12 -4.70 121.20 119.60 2kh2 s ILE 143 Ca 0.65 -0.05 0.06 0.00 0.00 0.00 0.00 60.65 61.31 2kh2 s ILE 143 Cb -0.16 -3.12 -0.06 0.00 0.01 0.00 0.00 42.46 39.13 2kh2 s ILE 143 CO 0.55 0.47 0.32 0.35 0.00 0.00 0.00 174.94 176.64 2kh2 n THR 144 N 3.43 0.00 -4.03 2.92 -2.24 -1.26 -1.39 114.28 111.71 2kh2 n THR 144 Ca -0.17 -0.37 -0.34 0.00 -2.27 0.00 0.00 64.05 60.90 2kh2 n THR 144 Cb 0.52 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.71 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 -1.49 5.98 0.33 3.42 -4.77 -1.26 -4.06 116.67 114.82 2kh2 s ASP 145 Ca 0.03 0.28 0.07 0.00 -3.30 0.00 0.00 52.55 49.63 2kh2 s ASP 145 Cb 0.05 -1.82 -0.03 0.00 -1.09 0.00 0.00 42.92 40.03 2kh2 s ASP 145 CO 0.24 0.32 0.26 0.49 0.70 0.00 0.00 175.17 177.18 2kh2 n PHE 146 N 1.46 -0.65 -4.36 2.11 3.72 0.13 -3.52 117.46 116.35 2kh2 n PHE 146 Ca -0.15 -2.69 -0.25 0.00 -0.05 0.00 0.00 57.45 54.31 2kh2 n PHE 146 Cb 0.53 0.24 -0.12 0.00 -0.94 0.00 0.00 39.48 39.20 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 -3.28 2.04 -0.80 4.37 -4.23 -0.08 -1.34 115.64 112.33 2kh2 s THR 147 Ca 0.36 -1.85 0.02 0.00 -1.18 0.00 0.00 61.69 59.05 2kh2 s THR 147 Cb 0.02 -1.90 0.29 0.00 1.34 0.00 0.00 72.50 72.25 2kh2 s THR 147 CO 0.26 -0.13 1.12 0.80 -0.54 0.00 0.00 174.62 176.12 2kh2 n MET 148 N 0.56 3.55 -2.02 3.99 1.56 -1.26 -3.39 117.12 120.11 2kh2 n MET 148 Ca -0.15 -4.68 -0.43 0.00 -0.27 0.00 0.00 57.70 52.17 2kh2 n MET 148 Cb 0.55 -2.35 -0.03 0.00 2.15 0.00 0.00 33.22 33.55 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 -2.97 3.65 0.18 2.12 1.11 -0.81 -4.83 119.66 118.10 2kh2 s GLN 149 Ca 0.39 1.68 -0.28 0.00 0.01 0.00 0.00 55.36 57.16 2kh2 s GLN 149 Cb 0.15 -4.11 -0.08 0.00 -1.01 0.00 0.00 33.01 27.96 2kh2 s GLN 149 CO -0.01 -1.48 0.88 -0.06 0.01 0.00 0.00 175.29 174.62 2kh2 s PHE 150 N 5.82 3.92 0.48 0.91 0.08 -1.26 -0.14 117.98 127.79 2kh2 s PHE 150 Ca 0.77 1.78 0.05 0.00 0.12 0.00 0.00 56.93 59.64 2kh2 s PHE 150 Cb -0.26 -2.91 -0.01 0.00 -0.57 0.00 0.00 43.02 39.26 2kh2 s PHE 150 CO 0.32 0.42 0.18 0.14 -0.10 0.00 0.00 175.22 176.18 2kh2 s VAL 151 N -0.89 1.72 -1.02 -0.44 -7.23 -1.09 -4.95 120.40 106.50 2kh2 s VAL 151 Ca 0.40 -1.75 -0.19 0.00 -1.81 0.00 0.00 61.98 58.63 2kh2 s VAL 151 Cb -0.24 -2.47 0.11 0.00 0.56 0.00 0.00 36.38 34.34 2kh2 s VAL 151 CO 0.29 0.00 1.31 -0.44 -0.31 0.00 0.00 175.10 175.95 2kh2 s SER 152 N -4.00 6.68 0.00 4.85 0.01 -1.26 -4.83 113.70 115.15 2kh2 s SER 152 Ca 0.27 -2.06 0.00 0.00 1.31 0.00 0.00 55.95 55.47 2kh2 s SER 152 Cb 0.02 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2kh2 s SER 152 CO 0.16 -1.14 0.00 -1.20 0.41 0.00 0.00 173.24 171.47