#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 0.40 -5.64 0.00 0.11 -2.08 -3.42 132.00 121.38 2kh2 h PRO 2 Ca 0.00 -0.12 -0.67 0.00 0.11 0.00 0.00 66.00 65.33 2kh2 h PRO 2 Cb 0.00 -0.04 -0.26 0.00 0.11 0.00 0.00 31.00 30.81 2kh2 h PRO 2 CO 0.00 0.55 -0.77 0.54 -0.21 0.00 0.00 178.00 178.11 2kh2 s VAL 3 N -4.67 3.03 0.07 3.15 0.11 -1.26 -5.12 120.40 115.71 2kh2 s VAL 3 Ca -0.06 -0.69 -0.07 0.00 -2.93 0.00 0.00 61.98 58.23 2kh2 s VAL 3 Cb 0.15 -2.24 -0.05 0.00 -1.53 0.00 0.00 36.38 32.70 2kh2 s VAL 3 CO 0.76 0.55 0.34 -0.13 -3.33 0.00 0.00 175.10 173.29 2kh2 s ARG 4 N 0.01 3.64 0.05 1.54 0.52 -1.26 -5.09 118.95 118.36 2kh2 s ARG 4 Ca -0.04 -0.02 0.05 0.00 -0.52 0.00 0.00 55.73 55.19 2kh2 s ARG 4 Cb -0.14 -2.98 -0.02 0.00 0.52 0.00 0.00 34.95 32.32 2kh2 s ARG 4 CO 0.04 0.57 -0.13 -1.12 0.02 0.00 0.00 175.30 174.68 2kh2 s SER 5 N -1.98 1.54 0.02 0.23 0.01 -1.26 -3.85 113.70 108.40 2kh2 s SER 5 Ca 0.34 -0.50 0.09 0.00 1.31 0.00 0.00 55.95 57.18 2kh2 s SER 5 Cb -0.13 -0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.00 2kh2 s SER 5 CO 0.20 -0.03 -0.26 -0.76 0.41 0.00 0.00 173.24 172.81 2kh2 s LEU 6 N -1.33 2.16 -0.22 2.44 1.43 -0.21 -4.96 118.68 118.00 2kh2 s LEU 6 Ca -0.01 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.56 2kh2 s LEU 6 Cb -0.08 -1.32 0.03 0.00 0.03 0.00 0.00 46.19 44.85 2kh2 s LEU 6 CO 0.01 0.28 -0.14 0.20 0.23 0.00 0.00 176.35 176.93 2kh2 s ASN 7 N -1.06 3.75 0.19 2.29 -0.87 -1.26 0.36 114.94 118.34 2kh2 s ASN 7 Ca 0.11 -0.88 -0.14 0.00 -1.57 0.00 0.00 52.86 50.39 2kh2 s ASN 7 Cb -0.10 -1.54 0.01 0.00 -0.02 0.00 0.00 41.25 39.60 2kh2 s ASN 7 CO 0.01 -0.07 0.42 0.00 -2.57 0.00 0.00 177.10 174.89 2kh2 s THR 9 N -3.92 4.06 -0.13 0.00 -4.23 0.47 -0.63 115.64 111.26 2kh2 s THR 9 Ca 0.13 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 2kh2 s THR 9 Cb 0.01 -2.99 -0.01 0.00 1.34 0.00 0.00 72.50 70.84 2kh2 s THR 9 CO -0.01 0.01 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.18 2kh2 s LEU 10 N -2.64 2.63 -0.02 4.79 1.43 -1.26 -0.84 118.68 122.77 2kh2 s LEU 10 Ca 0.27 -0.36 0.05 0.00 -1.03 0.00 0.00 54.13 53.06 2kh2 s LEU 10 Cb -0.11 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 2kh2 s LEU 10 CO 0.20 0.16 -0.16 -0.13 0.23 0.00 0.00 176.35 176.65 2kh2 s ARG 11 N 0.40 1.37 1.02 1.70 0.52 -0.87 -4.18 118.95 118.91 2kh2 s ARG 11 Ca -0.11 -0.56 -0.17 0.00 -0.52 0.00 0.00 55.73 54.37 2kh2 s ARG 11 Cb -0.16 -1.29 0.22 0.00 0.52 0.00 0.00 34.95 34.24 2kh2 s ARG 11 CO 0.06 0.31 1.25 0.16 0.02 0.00 0.00 175.30 177.09 2kh2 s ASP 12 N -0.25 2.57 0.00 0.23 -4.77 -1.17 0.29 116.67 113.58 2kh2 s ASP 12 Ca 0.03 0.42 0.02 0.00 -3.30 0.00 0.00 52.55 49.73 2kh2 s ASP 12 Cb -0.07 -0.55 0.11 0.00 -1.09 0.00 0.00 42.92 41.32 2kh2 s ASP 12 CO 0.00 -3.09 0.99 -1.20 0.70 0.00 0.00 175.17 172.57 2kh2 n SER 13 N -4.03 0.00 -0.88 2.11 7.64 -1.24 -0.67 113.62 116.55 2kh2 n SER 13 Ca 0.14 0.38 0.09 0.00 1.01 0.00 0.00 58.87 60.49 2kh2 n SER 13 Cb 0.59 -0.40 0.16 0.00 -1.01 0.00 0.00 64.21 63.56 2kh2 n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kh2 n GLN 14 N -1.40 2.15 -1.94 1.43 1.13 -1.26 -4.95 117.38 112.54 2kh2 n GLN 14 Ca 0.01 -1.98 -0.12 0.00 -1.94 0.00 0.00 57.00 52.96 2kh2 n GLN 14 Cb 0.02 -1.39 -0.02 0.00 0.11 0.00 0.00 30.24 28.96 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 1.09 -0.94 -2.54 -1.09 1.13 0.16 -4.93 117.38 110.26 2kh2 n GLN 15 Ca 0.15 0.71 -0.32 0.00 -1.94 0.00 0.00 57.00 55.59 2kh2 n GLN 15 Cb 0.50 -4.84 -0.05 0.00 0.11 0.00 0.00 30.24 25.96 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 -4.08 4.04 0.13 -1.09 1.02 -1.26 -3.89 119.74 114.61 2kh2 s LYS 16 Ca 0.00 1.00 0.10 0.00 0.02 0.00 0.00 55.97 57.10 2kh2 s LYS 16 Cb 0.00 -2.15 -0.04 0.00 -0.52 0.00 0.00 37.83 35.12 2kh2 s LYS 16 CO 0.00 -0.19 -0.25 -1.12 -0.92 0.00 0.00 175.35 172.87 2kh2 s SER 17 N -2.79 3.15 -0.13 2.83 0.01 0.15 -3.04 113.70 113.88 2kh2 s SER 17 Ca 0.60 -0.75 -0.24 0.00 1.31 0.00 0.00 55.95 56.87 2kh2 s SER 17 Cb -0.10 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 65.90 2kh2 s SER 17 CO 0.25 0.15 0.74 -0.76 0.41 0.00 0.00 173.24 174.03 2kh2 s LEU 18 N -2.09 4.23 0.17 2.44 1.43 -1.26 -1.59 118.68 122.00 2kh2 s LEU 18 Ca 0.13 1.11 0.09 0.00 -1.03 0.00 0.00 54.13 54.44 2kh2 s LEU 18 Cb -0.10 -3.11 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 2kh2 s LEU 18 CO 0.06 -0.26 -0.20 0.68 0.23 0.00 0.00 176.35 176.86 2kh2 s VAL 19 N 1.55 1.99 -0.50 -1.59 -7.23 0.83 -0.23 120.40 115.23 2kh2 s VAL 19 Ca 0.36 -1.93 -0.29 0.00 -1.81 0.00 0.00 61.98 58.32 2kh2 s VAL 19 Cb -0.17 -1.92 0.03 0.00 0.56 0.00 0.00 36.38 34.89 2kh2 s VAL 19 CO 0.14 -0.23 1.13 -0.04 -0.31 0.00 0.00 175.10 175.80 2kh2 s MET 20 N -2.69 3.67 0.00 4.82 -1.94 -1.26 -0.77 119.30 121.13 2kh2 s MET 20 Ca 0.17 0.47 0.00 0.00 -1.71 0.00 0.00 55.69 54.62 2kh2 s MET 20 Cb -0.07 -3.93 0.00 0.00 2.01 0.00 0.00 34.83 32.84 2kh2 s MET 20 CO 0.08 -1.43 0.12 0.45 -0.01 0.00 0.00 175.02 174.22 2kh2 n SER 21 N 7.90 0.00 -1.19 3.03 2.88 -0.18 -4.95 113.62 121.12 2kh2 n SER 21 Ca 0.11 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 2kh2 n SER 21 Cb 0.49 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 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 1.81 3.14 0.22 0.46 0.00 -1.20 -4.96 105.19 104.65 2kh2 n GLY 22 Ca 0.00 -2.11 0.06 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.42 1.61 0.13 -2.04 -3.23 132.00 128.05 2kh2 h PRO 23 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.84 2kh2 h PRO 23 Cb 0.00 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 30.75 2kh2 h PRO 23 CO 0.00 0.24 -1.00 0.66 -0.23 0.00 0.00 178.00 177.67 2kh2 n TYR 24 N -3.98 1.35 -3.89 1.56 4.01 -1.26 -5.07 117.16 109.88 2kh2 n TYR 24 Ca -0.02 -1.89 -0.11 0.00 -0.16 0.00 0.00 57.90 55.72 2kh2 n TYR 24 Cb 0.32 -0.25 -0.12 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 -3.19 0.17 0.03 -0.72 2.12 -1.22 -4.68 118.70 111.21 2kh2 s GLU 25 Ca 0.34 -0.15 0.07 0.00 0.36 0.00 0.00 54.97 55.60 2kh2 s GLU 25 Cb 0.35 0.07 -0.02 0.00 0.26 0.00 0.00 34.13 34.79 2kh2 s GLU 25 CO -0.04 -0.03 -0.22 -0.51 -0.54 0.00 0.00 175.26 173.92 2kh2 s LEU 26 N -0.50 2.14 0.15 2.70 1.43 -1.26 -1.01 118.68 122.33 2kh2 s LEU 26 Ca -0.06 -0.51 0.07 0.00 -1.03 0.00 0.00 54.13 52.61 2kh2 s LEU 26 Cb -0.04 -1.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.09 2kh2 s LEU 26 CO -0.00 0.20 -0.16 -0.54 0.23 0.00 0.00 176.35 176.08 2kh2 s LYS 27 N -1.05 1.18 -0.15 1.70 1.02 0.05 -3.53 119.74 118.97 2kh2 s LYS 27 Ca 0.08 -1.36 0.01 0.00 0.02 0.00 0.00 55.97 54.72 2kh2 s LYS 27 Cb -0.09 -1.15 0.00 0.00 -0.52 0.00 0.00 37.83 36.08 2kh2 s LYS 27 CO 0.01 0.22 -0.18 0.00 -0.92 0.00 0.00 175.35 174.49 2kh2 s ALA 28 N -2.18 2.40 0.05 5.17 0.00 -0.36 -0.12 121.76 126.72 2kh2 s ALA 28 Ca 0.14 -1.06 -0.17 0.00 0.00 0.00 0.00 51.96 50.87 2kh2 s ALA 28 Cb -0.05 -1.13 0.03 0.00 0.00 0.00 0.00 23.12 21.97 2kh2 s ALA 28 CO 0.05 -0.02 0.40 -0.48 0.00 0.00 0.00 175.76 175.71 2kh2 s LEU 29 N 0.79 0.46 0.21 0.00 0.05 -0.62 -2.35 118.68 117.22 2kh2 s LEU 29 Ca -0.06 -0.03 -0.32 0.00 0.05 0.00 0.00 54.13 53.76 2kh2 s LEU 29 Cb -0.15 1.70 -0.12 0.00 -2.05 0.00 0.00 46.19 45.56 2kh2 s LEU 29 CO -0.00 -0.66 1.67 1.41 -0.55 0.00 0.00 176.35 178.21 2kh2 n HIS 30 N 0.50 2.64 -3.69 3.48 8.25 -1.26 0.31 115.22 125.44 2kh2 n HIS 30 Ca -0.18 0.12 -0.29 0.00 -0.26 0.00 0.00 57.72 57.11 2kh2 n HIS 30 Cb 0.60 -2.63 -0.13 0.00 1.12 0.00 0.00 29.99 28.95 2kh2 n HIS 30 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2kh2 s LEU 31 N 0.91 2.69 -0.10 2.41 2.96 -1.25 -4.84 118.68 121.45 2kh2 s LEU 31 Ca 0.75 -2.72 0.15 0.00 -0.22 0.00 0.00 54.13 52.09 2kh2 s LEU 31 Cb -0.55 -1.01 0.34 0.00 0.50 0.00 0.00 46.19 45.47 2kh2 s LEU 31 CO 0.36 -0.25 1.16 0.00 -1.32 0.00 0.00 176.35 176.30 2kh2 n GLN 32 N 3.42 0.84 0.00 1.98 1.13 -1.26 -4.86 117.38 118.62 2kh2 n GLN 32 Ca 0.11 -2.48 0.00 0.00 -1.94 0.00 0.00 57.00 52.69 2kh2 n GLN 32 Cb 0.35 -0.96 0.00 0.00 0.11 0.00 0.00 30.24 29.75 2kh2 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2kh2 n GLY 33 N -0.53 4.36 0.01 1.08 0.00 -1.26 -5.03 105.19 103.82 2kh2 n GLY 33 Ca 0.12 -1.21 0.11 0.00 0.00 0.00 0.00 46.02 45.04 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 0.12 -0.12 1.61 -0.06 -1.26 -3.97 117.38 113.70 2kh2 n GLN 34 Ca 0.00 -0.00 0.01 0.00 -2.00 0.00 0.00 57.00 55.01 2kh2 n GLN 34 Cb 0.00 -1.54 0.06 0.00 -4.06 0.00 0.00 30.24 24.70 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 -1.70 1.45 0.26 1.69 9.92 -1.26 -4.07 116.55 122.83 2kh2 n ASP 35 Ca 0.04 -2.11 0.10 0.00 -0.53 0.00 0.00 54.79 52.29 2kh2 n ASP 35 Cb 0.38 -0.42 0.68 0.00 -0.64 0.00 0.00 41.12 41.13 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 0.62 0.00 -0.46 -1.24 4.05 -1.90 -1.18 114.93 114.84 2kh2 h MET 36 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2kh2 h MET 36 Cb 0.58 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 2kh2 h MET 36 CO 0.06 0.07 0.00 0.39 0.23 0.00 0.00 176.91 177.66 2kh2 n GLU 37 N -4.16 2.09 -0.17 0.39 -0.58 -1.26 -3.76 120.64 113.19 2kh2 n GLU 37 Ca -0.03 -1.57 0.09 0.00 -0.42 0.00 0.00 57.16 55.23 2kh2 n GLU 37 Cb 0.16 -1.38 0.18 0.00 -0.57 0.00 0.00 31.44 29.83 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 0.74 2.29 -2.35 3.49 6.02 -0.44 -4.98 117.38 122.14 2kh2 n GLN 38 Ca 0.15 -2.08 -0.33 0.00 -0.01 0.00 0.00 57.00 54.72 2kh2 n GLN 38 Cb 0.39 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 30.22 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 -1.23 3.68 0.03 -1.09 -2.07 -1.25 -4.62 119.66 113.12 2kh2 s GLN 39 Ca 0.32 1.21 -0.30 0.00 -1.82 0.00 0.00 55.36 54.76 2kh2 s GLN 39 Cb 0.18 -2.09 -0.04 0.00 -1.09 0.00 0.00 33.01 29.98 2kh2 s GLN 39 CO 0.25 -0.51 1.01 0.08 -1.32 0.00 0.00 175.29 174.80 2kh2 s VAL 40 N -2.30 4.68 -0.18 3.63 1.01 0.69 -5.00 120.40 122.93 2kh2 s VAL 40 Ca 0.64 1.97 -0.08 0.00 0.00 0.00 0.00 61.98 64.51 2kh2 s VAL 40 Cb -0.14 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 2kh2 s VAL 40 CO 0.28 0.18 0.09 -0.69 0.00 0.00 0.00 175.10 174.96 2kh2 s VAL 41 N 0.86 5.09 -0.06 2.92 1.01 -1.26 -4.57 120.40 124.38 2kh2 s VAL 41 Ca 0.52 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.53 2kh2 s VAL 41 Cb -0.23 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 2kh2 s VAL 41 CO 0.29 0.48 0.14 -0.36 0.00 0.00 0.00 175.10 175.65 2kh2 s PHE 42 N 0.17 3.52 -0.30 5.22 0.40 0.20 -1.21 117.98 125.98 2kh2 s PHE 42 Ca 0.07 0.41 -0.14 0.00 -0.60 0.00 0.00 56.93 56.67 2kh2 s PHE 42 Cb -0.12 -1.87 -0.03 0.00 0.51 0.00 0.00 43.02 41.52 2kh2 s PHE 42 CO -0.00 0.67 0.31 -1.12 0.70 0.00 0.00 175.22 175.78 2kh2 s SER 43 N -1.47 6.15 -0.27 1.36 0.01 0.12 -2.04 113.70 117.56 2kh2 s SER 43 Ca 0.21 -0.01 -0.14 0.00 1.31 0.00 0.00 55.95 57.32 2kh2 s SER 43 Cb -0.12 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 63.89 2kh2 s SER 43 CO 0.11 -0.20 0.32 -0.04 0.41 0.00 0.00 173.24 173.83 2kh2 s MET 44 N 1.95 4.01 -0.12 12.44 -1.94 0.16 -2.58 119.30 133.22 2kh2 s MET 44 Ca 0.11 -0.06 -0.02 0.00 -1.71 0.00 0.00 55.69 54.01 2kh2 s MET 44 Cb -0.16 -3.65 -0.03 0.00 2.01 0.00 0.00 34.83 33.00 2kh2 s MET 44 CO 0.11 -0.23 -0.03 -1.12 -0.01 0.00 0.00 175.02 173.74 2kh2 s SER 45 N 1.62 4.88 -0.90 3.03 0.01 -1.16 -1.05 113.70 120.14 2kh2 s SER 45 Ca 0.13 -0.03 -0.25 0.00 1.31 0.00 0.00 55.95 57.11 2kh2 s SER 45 Cb -0.16 -1.56 0.04 0.00 0.21 0.00 0.00 66.02 64.55 2kh2 s SER 45 CO 0.10 0.27 1.38 -0.36 0.41 0.00 0.00 173.24 175.03 2kh2 s PHE 46 N -0.22 2.43 0.00 2.43 0.08 -1.25 -1.16 117.98 120.29 2kh2 s PHE 46 Ca 0.04 -0.51 0.00 0.00 0.12 0.00 0.00 56.93 56.58 2kh2 s PHE 46 Cb -0.13 -4.67 0.00 0.00 -0.57 0.00 0.00 43.02 37.65 2kh2 s PHE 46 CO 0.02 -2.00 0.00 1.33 -0.10 0.00 0.00 175.22 174.47 2kh2 n VAL 47 N 6.67 0.00 -3.86 -0.44 0.24 -1.19 -4.76 118.33 115.00 2kh2 n VAL 47 Ca 0.20 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.20 2kh2 n VAL 47 Cb 0.50 -1.49 -0.15 0.00 -1.47 0.00 0.00 33.84 31.23 2kh2 n VAL 47 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2kh2 s GLN 48 N -2.10 1.25 0.00 7.34 2.00 -1.21 -4.95 119.66 121.99 2kh2 s GLN 48 Ca 0.00 -1.73 0.00 0.00 -2.00 0.00 0.00 55.36 51.63 2kh2 s GLN 48 Cb 0.00 -2.66 0.00 0.00 0.80 0.00 0.00 33.01 31.15 2kh2 s GLN 48 CO 0.00 -1.02 0.00 0.41 -0.50 0.00 0.00 175.29 174.18 2kh2 n GLY 49 N 4.18 3.42 3.61 2.59 0.00 -1.26 -4.98 105.19 112.74 2kh2 n GLY 49 Ca 0.03 -0.62 -0.44 0.00 0.00 0.00 0.00 46.02 44.99 2kh2 n GLY 49 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kh2 n GLU 50 N 0.00 2.19 -3.82 1.61 4.07 -1.26 -4.88 120.64 118.54 2kh2 n GLU 50 Ca 0.00 0.69 -0.30 0.00 -0.06 0.00 0.00 57.16 57.49 2kh2 n GLU 50 Cb 0.00 -3.09 -0.14 0.00 -0.06 0.00 0.00 31.44 28.15 2kh2 n GLU 50 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2kh2 s GLU 51 N 5.68 1.51 0.00 5.31 2.12 -1.26 -3.62 118.70 128.44 2kh2 s GLU 51 Ca 0.98 -2.16 0.00 0.00 0.36 0.00 0.00 54.97 54.15 2kh2 s GLU 51 Cb -0.42 -2.73 0.00 0.00 0.26 0.00 0.00 34.13 31.25 2kh2 s GLU 51 CO 0.39 -1.12 0.00 -1.13 -0.54 0.00 0.00 175.26 172.86 2kh2 n SER 52 N 3.52 0.00 0.04 -1.70 3.41 -0.08 -4.99 113.62 113.82 2kh2 n SER 52 Ca 0.06 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.80 2kh2 n SER 52 Cb 0.35 0.00 0.38 0.00 -0.26 0.00 0.00 64.21 64.67 2kh2 n SER 52 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2kh2 n ASN 53 N 0.00 0.46 0.00 4.04 5.03 -1.26 -4.36 115.26 119.16 2kh2 n ASN 53 Ca 0.00 0.24 0.00 0.00 0.87 0.00 0.00 54.58 55.69 2kh2 n ASN 53 Cb 0.00 -0.22 0.00 0.00 -1.02 0.00 0.00 39.78 38.54 2kh2 n ASN 53 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 2kh2 n ASP 54 N -1.80 2.37 -4.48 6.41 5.75 -1.26 -4.99 116.55 118.55 2kh2 n ASP 54 Ca 0.05 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.40 2kh2 n ASP 54 Cb 0.38 0.02 -0.05 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 -1.59 3.22 -0.16 0.11 2.20 -1.25 -3.26 119.74 119.02 2kh2 s LYS 55 Ca 0.00 -0.58 -0.03 0.00 -0.36 0.00 0.00 55.97 54.99 2kh2 s LYS 55 Cb 0.00 -4.07 -0.02 0.00 -1.51 0.00 0.00 37.83 32.22 2kh2 s LYS 55 CO 0.00 -1.34 -0.05 0.42 -0.36 0.00 0.00 175.35 174.02 2kh2 s ILE 56 N 3.24 3.68 -0.38 5.43 -1.09 -0.57 -0.90 121.20 130.62 2kh2 s ILE 56 Ca 0.22 -0.43 -0.28 0.00 -2.23 0.00 0.00 60.65 57.94 2kh2 s ILE 56 Cb -0.16 -2.61 0.02 0.00 -1.58 0.00 0.00 42.46 38.13 2kh2 s ILE 56 CO 0.15 0.49 1.03 -2.16 -1.23 0.00 0.00 174.94 173.22 2kh2 s PRO 57 N 0.50 3.89 0.07 2.79 0.04 -1.24 -0.59 135.00 140.46 2kh2 s PRO 57 Ca -0.04 0.75 0.01 0.00 0.04 0.00 0.00 61.00 61.76 2kh2 s PRO 57 Cb -0.15 -3.80 -0.03 0.00 0.04 0.00 0.00 34.50 30.56 2kh2 s PRO 57 CO 0.03 -1.03 -0.06 0.14 0.04 0.00 0.00 177.00 176.11 2kh2 s VAL 58 N 3.76 0.55 0.13 -0.36 -7.23 -0.53 -3.14 120.40 113.59 2kh2 s VAL 58 Ca 0.43 -1.55 -0.00 0.00 -1.81 0.00 0.00 61.98 59.05 2kh2 s VAL 58 Cb -0.11 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 2kh2 s VAL 58 CO 0.20 -0.69 0.30 0.00 -0.31 0.00 0.00 175.10 174.60 2kh2 s ALA 59 N -2.72 3.92 -0.26 1.32 0.00 -0.31 -1.46 121.76 122.26 2kh2 s ALA 59 Ca 0.02 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2kh2 s ALA 59 Cb -0.01 -1.90 0.07 0.00 0.00 0.00 0.00 23.12 21.29 2kh2 s ALA 59 CO -0.03 0.63 0.01 -0.51 0.00 0.00 0.00 175.76 175.85 2kh2 s LEU 60 N -2.94 2.62 0.18 0.00 1.43 -1.26 -2.98 118.68 115.73 2kh2 s LEU 60 Ca 0.37 -1.37 0.07 0.00 -1.03 0.00 0.00 54.13 52.16 2kh2 s LEU 60 Cb -0.12 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 2kh2 s LEU 60 CO 0.28 -0.30 -0.13 -0.83 0.23 0.00 0.00 176.35 175.59 2kh2 s GLY 61 N 1.43 1.28 0.26 -3.19 0.00 -1.06 -1.29 107.32 104.74 2kh2 s GLY 61 Ca 0.01 -1.57 -0.30 0.00 0.00 0.00 0.00 44.72 42.86 2kh2 s GLY 61 CO -0.11 -1.66 1.05 1.08 0.00 0.00 0.00 173.10 173.46 2kh2 s LEU 62 N -3.17 4.58 0.29 0.66 1.02 0.89 0.14 118.68 123.09 2kh2 s LEU 62 Ca 0.19 2.15 -0.30 0.00 0.02 0.00 0.00 54.13 56.20 2kh2 s LEU 62 Cb -0.00 -3.62 -0.12 0.00 0.02 0.00 0.00 46.19 42.47 2kh2 s LEU 62 CO 0.04 -0.05 1.59 1.17 0.02 0.00 0.00 176.35 179.13 2kh2 n LYS 63 N 1.37 2.70 -2.47 1.70 4.81 -0.35 -2.48 118.16 123.44 2kh2 n LYS 63 Ca -0.01 0.96 -0.10 0.00 -0.87 0.00 0.00 58.31 58.29 2kh2 n LYS 63 Cb 0.46 -2.74 -0.00 0.00 0.02 0.00 0.00 35.03 32.76 2kh2 n LYS 63 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2kh2 n GLU 64 N 2.12 -2.42 -4.06 1.64 0.28 -1.26 -4.93 120.64 112.01 2kh2 n GLU 64 Ca 0.08 0.45 -0.08 0.00 -0.16 0.00 0.00 57.16 57.46 2kh2 n GLU 64 Cb 0.37 -5.03 -0.09 0.00 1.43 0.00 0.00 31.44 28.11 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 -5.03 0.74 -0.19 3.44 1.02 -1.04 -5.04 119.74 113.64 2kh2 s LYS 65 Ca 0.00 -1.22 0.13 0.00 0.02 0.00 0.00 55.97 54.91 2kh2 s LYS 65 Cb -0.00 0.25 0.71 0.00 -0.52 0.00 0.00 37.83 38.26 2kh2 s LYS 65 CO 0.01 -0.18 1.59 0.27 -0.92 0.00 0.00 175.35 176.11 2kh2 n ASN 66 N 0.03 5.03 -4.58 2.83 6.94 -1.26 -4.51 115.26 119.73 2kh2 n ASN 66 Ca -0.12 -2.75 -0.41 0.00 -0.02 0.00 0.00 54.58 51.28 2kh2 n ASN 66 Cb 0.62 -0.65 -0.08 0.00 -2.36 0.00 0.00 39.78 37.32 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 -2.30 4.21 0.11 -4.53 1.43 -1.26 -2.03 118.68 114.32 2kh2 s LEU 67 Ca 0.48 0.21 0.10 0.00 -1.03 0.00 0.00 54.13 53.88 2kh2 s LEU 67 Cb 0.35 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 2kh2 s LEU 67 CO 0.15 -0.40 -0.25 -0.31 0.23 0.00 0.00 176.35 175.77 2kh2 s TYR 68 N 2.37 2.16 -0.02 0.29 1.51 -0.80 -0.07 117.35 122.78 2kh2 s TYR 68 Ca 0.20 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.57 2kh2 s TYR 68 Cb -0.15 -1.19 -0.04 0.00 -0.11 0.00 0.00 41.96 40.47 2kh2 s TYR 68 CO 0.12 0.28 1.27 -0.51 -1.11 0.00 0.00 175.55 175.59 2kh2 s LEU 69 N -1.91 4.30 -0.01 -1.29 1.43 -0.42 -0.92 118.68 119.87 2kh2 s LEU 69 Ca 0.12 1.94 0.05 0.00 -1.03 0.00 0.00 54.13 55.21 2kh2 s LEU 69 Cb -0.10 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.55 2kh2 s LEU 69 CO 0.05 -0.62 -0.17 -0.55 0.23 0.00 0.00 176.35 175.29 2kh2 s SER 70 N 1.56 2.00 -0.35 2.29 0.15 0.14 -4.50 113.70 115.00 2kh2 s SER 70 Ca 0.59 -0.32 -0.10 0.00 0.70 0.00 0.00 55.95 56.82 2kh2 s SER 70 Cb -0.28 -0.22 0.02 0.00 -1.71 0.00 0.00 66.02 63.83 2kh2 s SER 70 CO 0.24 0.20 0.17 0.00 1.20 0.00 0.00 173.24 175.06 2kh2 s VAL 72 N 1.56 0.89 -0.35 0.00 -7.23 -0.60 -4.76 120.40 109.92 2kh2 s VAL 72 Ca 0.03 -2.01 -0.15 0.00 -1.81 0.00 0.00 61.98 58.03 2kh2 s VAL 72 Cb -0.18 -2.18 -0.01 0.00 0.56 0.00 0.00 36.38 34.56 2kh2 s VAL 72 CO 0.06 -0.44 0.35 -0.76 -0.31 0.00 0.00 175.10 174.00 2kh2 s LEU 73 N -3.23 4.50 -0.23 1.32 1.43 -1.26 -0.27 118.68 120.94 2kh2 s LEU 73 Ca 0.25 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 2kh2 s LEU 73 Cb 0.05 -2.32 0.03 0.00 0.03 0.00 0.00 46.19 43.99 2kh2 s LEU 73 CO 0.06 -0.35 -0.11 -0.54 0.23 0.00 0.00 176.35 175.63 2kh2 s LYS 74 N 1.99 2.76 -1.20 1.70 1.02 0.34 -4.66 119.74 121.68 2kh2 s LYS 74 Ca 0.11 -1.01 -0.01 0.00 0.02 0.00 0.00 55.97 55.08 2kh2 s LYS 74 Cb -0.17 -2.84 -0.01 0.00 -0.52 0.00 0.00 37.83 34.30 2kh2 s LYS 74 CO 0.12 -0.38 0.94 -3.47 -0.92 0.00 0.00 175.35 171.64 2kh2 n ASP 75 N 4.60 -2.37 -2.13 2.83 -0.08 -1.26 -1.95 116.55 116.20 2kh2 n ASP 75 Ca -0.17 -0.67 -0.17 0.00 -1.51 0.00 0.00 54.79 52.28 2kh2 n ASP 75 Cb 0.47 -4.94 -0.03 0.00 2.34 0.00 0.00 41.12 38.96 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 -3.12 -4.74 -3.83 1.67 9.92 -1.26 -4.96 116.55 110.22 2kh2 n ASP 76 Ca -0.27 0.19 -0.22 0.00 -0.53 0.00 0.00 54.79 53.96 2kh2 n ASP 76 Cb 0.67 -4.07 -0.17 0.00 -0.64 0.00 0.00 41.12 36.91 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 -4.54 0.80 -0.05 -1.24 2.47 -0.82 -5.11 119.74 111.24 2kh2 s LYS 77 Ca 0.00 -0.01 -0.30 0.00 -1.56 0.00 0.00 55.97 54.10 2kh2 s LYS 77 Cb 0.00 -1.00 -0.05 0.00 -1.46 0.00 0.00 37.83 35.32 2kh2 s LYS 77 CO 0.00 -0.22 1.62 -2.14 0.16 0.00 0.00 175.35 174.77 2kh2 s PRO 78 N 1.56 4.19 0.15 4.03 0.02 -1.26 -0.51 135.00 143.18 2kh2 s PRO 78 Ca -0.01 2.16 0.03 0.00 0.02 0.00 0.00 61.00 63.20 2kh2 s PRO 78 Cb -0.13 -3.94 -0.04 0.00 0.02 0.00 0.00 34.50 30.40 2kh2 s PRO 78 CO -0.04 -0.82 -0.05 0.95 -0.33 0.00 0.00 177.00 176.71 2kh2 s THR 79 N 3.88 0.84 0.00 0.99 -4.23 0.62 -4.71 115.64 113.03 2kh2 s THR 79 Ca 0.72 -1.99 -0.01 0.00 -1.18 0.00 0.00 61.69 59.23 2kh2 s THR 79 Cb -0.33 -1.93 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 2kh2 s THR 79 CO 0.29 -0.66 0.13 -0.22 -0.54 0.00 0.00 174.62 173.62 2kh2 s LEU 80 N -3.14 4.13 0.27 4.79 2.96 -1.26 -1.55 118.68 124.87 2kh2 s LEU 80 Ca 0.19 0.23 -0.15 0.00 -0.22 0.00 0.00 54.13 54.17 2kh2 s LEU 80 Cb 0.05 -2.47 0.01 0.00 0.50 0.00 0.00 46.19 44.28 2kh2 s LEU 80 CO 0.01 0.26 0.58 0.00 -1.32 0.00 0.00 176.35 175.87 2kh2 s GLN 81 N -1.90 1.67 -0.35 1.98 -2.07 -0.32 -4.86 119.66 113.81 2kh2 s GLN 81 Ca 0.26 -1.19 -0.11 0.00 -1.82 0.00 0.00 55.36 52.50 2kh2 s GLN 81 Cb -0.12 0.53 0.01 0.00 -1.09 0.00 0.00 33.01 32.33 2kh2 s GLN 81 CO 0.17 -0.73 0.20 -0.51 -1.32 0.00 0.00 175.29 173.10 2kh2 s LEU 82 N -2.99 4.53 -0.25 2.60 2.01 -1.26 -0.68 118.68 122.63 2kh2 s LEU 82 Ca 0.18 -0.77 -0.10 0.00 0.01 0.00 0.00 54.13 53.46 2kh2 s LEU 82 Cb -0.03 -2.04 -0.05 0.00 0.01 0.00 0.00 46.19 44.09 2kh2 s LEU 82 CO 0.09 -0.31 0.15 -1.61 1.01 0.00 0.00 176.35 175.68 2kh2 s GLU 83 N 1.60 3.98 -0.93 1.70 2.02 -0.10 -4.89 118.70 122.10 2kh2 s GLU 83 Ca 0.04 -0.31 -0.22 0.00 0.02 0.00 0.00 54.97 54.49 2kh2 s GLU 83 Cb -0.18 -3.52 0.08 0.00 0.10 0.00 0.00 34.13 30.60 2kh2 s GLU 83 CO 0.07 -0.01 1.28 -1.54 0.02 0.00 0.00 175.26 175.07 2kh2 s SER 84 N 1.25 6.48 0.63 -0.19 1.04 -1.26 -1.91 113.70 119.74 2kh2 s SER 84 Ca 0.07 -1.52 -0.01 0.00 0.48 0.00 0.00 55.95 54.96 2kh2 s SER 84 Cb -0.14 -2.50 0.06 0.00 0.10 0.00 0.00 66.02 63.54 2kh2 s SER 84 CO 0.06 -1.38 0.88 0.68 0.98 0.00 0.00 173.24 174.46 2kh2 s VAL 85 N 4.17 2.46 -0.02 5.02 -7.23 -0.86 -5.00 120.40 118.93 2kh2 s VAL 85 Ca 0.38 -0.53 -0.34 0.00 -1.81 0.00 0.00 61.98 59.68 2kh2 s VAL 85 Cb -0.04 -2.93 -0.12 0.00 0.56 0.00 0.00 36.38 33.85 2kh2 s VAL 85 CO -0.06 0.00 1.83 -0.67 -0.31 0.00 0.00 175.10 175.89 2kh2 n ASP 86 N -2.60 3.45 0.10 4.85 4.64 -1.26 -4.84 116.55 120.88 2kh2 n ASP 86 Ca 0.09 0.99 0.12 0.00 -1.38 0.00 0.00 54.79 54.61 2kh2 n ASP 86 Cb 0.60 -1.40 0.46 0.00 -1.04 0.00 0.00 41.12 39.74 2kh2 n ASP 86 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2kh2 n PRO 87 N 6.02 0.19 -0.01 -0.67 -0.04 -1.26 -2.88 135.00 136.35 2kh2 n PRO 87 Ca 0.21 0.31 0.09 0.00 -0.04 0.00 0.00 63.50 64.06 2kh2 n PRO 87 Cb 0.30 -1.80 -0.13 0.00 -0.04 0.00 0.00 33.50 31.84 2kh2 n PRO 87 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2kh2 n LYS 88 N -2.15 0.56 -0.22 0.54 2.85 -1.26 -4.30 118.16 114.18 2kh2 n LYS 88 Ca 0.04 -0.15 0.11 0.00 -1.05 0.00 0.00 58.31 57.26 2kh2 n LYS 88 Cb 0.30 -1.40 0.26 0.00 -0.65 0.00 0.00 35.03 33.55 2kh2 n LYS 88 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2kh2 n ASN 89 N -2.06 3.17 -4.09 -5.58 5.15 -1.19 -4.89 115.26 105.77 2kh2 n ASN 89 Ca -0.03 -1.95 -0.13 0.00 -0.60 0.00 0.00 54.58 51.87 2kh2 n ASN 89 Cb 0.43 -0.29 -0.11 0.00 -0.53 0.00 0.00 39.78 39.29 2kh2 n ASN 89 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2kh2 s TYR 90 N -1.43 0.73 0.88 1.20 1.51 -1.14 -4.56 117.35 114.55 2kh2 s TYR 90 Ca 0.39 -0.59 -0.11 0.00 -1.01 0.00 0.00 57.07 55.75 2kh2 s TYR 90 Cb 0.22 -0.43 0.17 0.00 -0.11 0.00 0.00 41.96 41.80 2kh2 s TYR 90 CO 0.30 -0.09 1.22 -1.25 -1.11 0.00 0.00 175.55 174.61 2kh2 s PRO 91 N -2.06 1.04 0.12 -1.71 0.04 -1.26 -4.85 135.00 126.31 2kh2 s PRO 91 Ca -0.05 -0.56 -0.11 0.00 0.04 0.00 0.00 61.00 60.31 2kh2 s PRO 91 Cb -0.07 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.49 2kh2 s PRO 91 CO -0.01 -2.07 0.27 -1.59 0.04 0.00 0.00 177.00 173.64 2kh2 s LYS 92 N -5.65 0.98 -0.03 4.56 -2.85 -1.26 -5.08 119.74 110.40 2kh2 s LYS 92 Ca 0.71 -0.93 -0.21 0.00 -1.00 0.00 0.00 55.97 54.54 2kh2 s LYS 92 Cb -0.05 0.39 -0.14 0.00 -2.06 0.00 0.00 37.83 35.96 2kh2 s LYS 92 CO 0.50 -0.35 0.92 -0.22 0.10 0.00 0.00 175.35 176.31 2kh2 h LYS 93 N 2.59 -0.34 -5.32 1.78 3.64 -1.97 -3.38 116.57 113.58 2kh2 h LYS 93 Ca -0.33 0.02 -0.67 0.00 -1.27 0.00 0.00 60.65 58.40 2kh2 h LYS 93 Cb 1.22 0.08 -0.15 0.00 -0.41 0.00 0.00 32.23 32.97 2kh2 h LYS 93 CO 0.52 0.01 1.16 0.21 -2.27 0.00 0.00 179.45 179.08 2kh2 s LYS 94 N -3.75 3.69 0.72 1.90 2.47 -1.26 -3.35 119.74 120.15 2kh2 s LYS 94 Ca -0.12 -1.72 -0.06 0.00 -1.56 0.00 0.00 55.97 52.51 2kh2 s LYS 94 Cb 0.01 -5.09 0.09 0.00 -1.46 0.00 0.00 37.83 31.38 2kh2 s LYS 94 CO 0.45 -1.92 1.02 -1.64 0.16 0.00 0.00 175.35 173.42 2kh2 s MET 95 N 3.23 1.95 0.48 4.03 -1.94 -1.26 -5.04 119.30 120.74 2kh2 s MET 95 Ca 0.39 -0.52 -0.23 0.00 -1.71 0.00 0.00 55.69 53.62 2kh2 s MET 95 Cb -0.03 -2.21 -0.07 0.00 2.01 0.00 0.00 34.83 34.54 2kh2 s MET 95 CO -0.07 -1.35 1.23 -1.21 -0.01 0.00 0.00 175.02 173.61 2kh2 s GLU 96 N -5.24 3.61 0.59 2.03 8.01 -1.26 -4.89 118.70 121.55 2kh2 s GLU 96 Ca 0.63 1.95 0.29 0.00 0.01 0.00 0.00 54.97 57.84 2kh2 s GLU 96 Cb -0.09 -2.41 1.74 0.00 -4.31 0.00 0.00 34.13 29.07 2kh2 s GLU 96 CO 0.45 -0.72 2.20 -0.22 0.01 0.00 0.00 175.26 176.98 2kh2 h LYS 97 N 1.96 0.00 0.00 1.61 3.64 -1.96 0.88 116.57 122.70 2kh2 h LYS 97 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2kh2 h LYS 97 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2kh2 h LYS 97 CO 0.60 0.00 0.00 2.89 -2.27 0.00 0.00 179.45 180.67 2kh2 n ARG 98 N -3.87 0.23 0.00 1.90 1.85 -1.26 -2.93 116.66 112.58 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 0.16 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.11 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 -1.38 0.00 -3.48 2.89 3.72 0.27 -0.96 117.46 118.52 2kh2 n PHE 99 Ca 0.11 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.13 2kh2 n PHE 99 Cb 0.28 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.74 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 -0.87 5.25 0.13 -4.37 1.01 -1.03 -4.17 120.40 116.34 2kh2 s VAL 100 Ca 0.11 0.51 0.08 0.00 0.00 0.00 0.00 61.98 62.68 2kh2 s VAL 100 Cb 0.08 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 2kh2 s VAL 100 CO 0.13 0.27 -0.13 -0.36 0.00 0.00 0.00 175.10 175.01 2kh2 s PHE 101 N 1.35 2.63 -0.43 5.22 0.40 -0.54 -2.27 117.98 124.35 2kh2 s PHE 101 Ca 0.14 -0.21 -0.10 0.00 -0.60 0.00 0.00 56.93 56.16 2kh2 s PHE 101 Cb -0.15 -1.36 0.08 0.00 0.51 0.00 0.00 43.02 42.10 2kh2 s PHE 101 CO 0.07 0.43 0.28 -0.80 0.70 0.00 0.00 175.22 175.91 2kh2 s ASN 102 N -2.32 5.70 -0.59 1.36 0.02 0.24 -1.45 114.94 117.90 2kh2 s ASN 102 Ca 0.21 -1.54 -0.28 0.00 -1.02 0.00 0.00 52.86 50.23 2kh2 s ASN 102 Cb -0.10 -2.01 0.02 0.00 0.02 0.00 0.00 41.25 39.18 2kh2 s ASN 102 CO 0.13 -0.57 1.34 -0.75 0.02 0.00 0.00 177.10 177.26 2kh2 s LYS 103 N 1.44 3.35 0.04 -0.60 2.20 0.24 -0.84 119.74 125.56 2kh2 s LYS 103 Ca 0.03 0.32 -0.08 0.00 -0.36 0.00 0.00 55.97 55.88 2kh2 s LYS 103 Cb -0.24 -4.10 -0.05 0.00 -1.51 0.00 0.00 37.83 31.93 2kh2 s LYS 103 CO 0.02 -1.89 0.33 0.42 -0.36 0.00 0.00 175.35 173.87 2kh2 s ILE 104 N 5.72 5.20 -0.40 5.43 1.01 0.12 -1.51 121.20 136.76 2kh2 s ILE 104 Ca 0.48 0.33 0.01 0.00 0.00 0.00 0.00 60.65 61.47 2kh2 s ILE 104 Cb -0.09 -3.61 0.13 0.00 0.01 0.00 0.00 42.46 38.90 2kh2 s ILE 104 CO 0.24 0.35 0.22 -1.61 0.00 0.00 0.00 174.94 174.14 2kh2 s GLU 105 N -1.78 1.02 0.06 2.79 2.02 -1.20 -0.39 118.70 121.22 2kh2 s GLU 105 Ca 0.30 -1.74 -0.25 0.00 0.02 0.00 0.00 54.97 53.29 2kh2 s GLU 105 Cb -0.14 -1.99 -0.17 0.00 0.10 0.00 0.00 34.13 31.93 2kh2 s GLU 105 CO 0.17 -1.17 1.58 -0.84 0.02 0.00 0.00 175.26 175.02 2kh2 h ILE 106 N 5.25 0.90 0.00 -1.63 3.07 -1.92 -3.47 117.51 119.70 2kh2 h ILE 106 Ca 0.00 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 66.16 2kh2 h ILE 106 Cb 0.95 1.06 0.00 0.00 -0.27 0.00 0.00 36.82 38.55 2kh2 h ILE 106 CO 0.41 0.06 0.00 -0.46 -1.05 0.00 0.00 178.15 177.11 2kh2 n ASN 107 N -5.13 0.00 -0.54 2.16 0.23 -1.26 -4.98 115.26 105.75 2kh2 n ASN 107 Ca -0.09 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 54.03 2kh2 n ASN 107 Cb 0.15 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 37.91 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 2.12 -4.58 0.53 6.94 -1.26 -4.93 115.26 114.08 2kh2 n ASN 108 Ca 0.00 -1.56 -0.34 0.00 -0.02 0.00 0.00 54.58 52.66 2kh2 n ASN 108 Cb 0.00 -0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.31 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2kh2 s LYS 109 N -1.11 2.93 -0.08 -3.83 -0.14 -1.26 -4.92 119.74 111.34 2kh2 s LYS 109 Ca 0.16 -0.53 0.04 0.00 -1.36 0.00 0.00 55.97 54.28 2kh2 s LYS 109 Cb 0.11 -2.67 -0.02 0.00 -1.68 0.00 0.00 37.83 33.58 2kh2 s LYS 109 CO 0.17 0.60 -0.18 -0.48 -0.76 0.00 0.00 175.35 174.70 2kh2 s LEU 110 N -0.63 2.47 0.14 3.17 2.34 -0.34 -3.22 118.68 122.61 2kh2 s LEU 110 Ca 0.10 -0.36 0.08 0.00 0.06 0.00 0.00 54.13 54.01 2kh2 s LEU 110 Cb -0.12 -1.50 -0.04 0.00 -0.56 0.00 0.00 46.19 43.97 2kh2 s LEU 110 CO 0.02 0.25 -0.10 -1.61 -1.06 0.00 0.00 176.35 173.85 2kh2 s GLU 111 N -0.20 2.06 -0.35 1.48 2.02 0.47 0.13 118.70 124.31 2kh2 s GLU 111 Ca -0.01 -1.16 -0.02 0.00 0.02 0.00 0.00 54.97 53.81 2kh2 s GLU 111 Cb -0.13 -2.22 0.08 0.00 0.10 0.00 0.00 34.13 31.96 2kh2 s GLU 111 CO 0.03 0.47 0.10 -0.06 0.02 0.00 0.00 175.26 175.82 2kh2 s PHE 112 N -1.44 3.46 0.13 1.61 0.08 -1.26 0.11 117.98 120.67 2kh2 s PHE 112 Ca 0.23 -2.22 -0.13 0.00 0.12 0.00 0.00 56.93 54.92 2kh2 s PHE 112 Cb -0.10 -2.70 -0.07 0.00 -0.57 0.00 0.00 43.02 39.59 2kh2 s PHE 112 CO 0.14 -0.89 0.51 -2.00 -0.10 0.00 0.00 175.22 172.88 2kh2 s GLU 113 N 1.17 3.92 -0.08 0.44 2.12 -0.02 -1.57 118.70 124.68 2kh2 s GLU 113 Ca 0.03 0.40 -0.27 0.00 0.36 0.00 0.00 54.97 55.49 2kh2 s GLU 113 Cb -0.21 -2.94 -0.03 0.00 0.26 0.00 0.00 34.13 31.21 2kh2 s GLU 113 CO -0.03 0.49 0.87 0.45 -0.54 0.00 0.00 175.26 176.50 2kh2 s SER 114 N -1.75 7.14 0.22 -1.70 0.15 0.18 0.80 113.70 118.75 2kh2 s SER 114 Ca 0.37 1.39 -0.00 0.00 0.70 0.00 0.00 55.95 58.40 2kh2 s SER 114 Cb -0.15 -2.49 0.22 0.00 -1.71 0.00 0.00 66.02 61.89 2kh2 s SER 114 CO 0.19 -0.28 1.58 0.00 1.20 0.00 0.00 173.24 175.93 2kh2 h ALA 115 N 6.96 0.84 -0.56 5.45 0.00 -1.69 -2.82 119.26 127.45 2kh2 h ALA 115 Ca -0.37 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 53.99 2kh2 h ALA 115 Cb 1.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2kh2 h ALA 115 CO 0.79 0.66 0.02 0.37 0.00 0.00 0.00 179.25 181.08 2kh2 h GLN 116 N 0.40 0.98 -3.27 0.00 5.75 -1.73 -3.38 115.11 113.85 2kh2 h GLN 116 Ca 0.02 -0.30 -0.62 0.00 -0.15 0.00 0.00 58.65 57.60 2kh2 h GLN 116 Cb 0.96 -0.09 -0.40 0.00 1.07 0.00 0.00 27.48 29.02 2kh2 h GLN 116 CO 0.08 0.97 -0.71 -0.06 -2.65 0.00 0.00 178.83 176.47 2kh2 s PHE 117 N -5.05 2.42 0.57 3.99 0.08 -1.11 -5.06 117.98 113.81 2kh2 s PHE 117 Ca -0.12 -2.62 -0.21 0.00 0.12 0.00 0.00 56.93 54.11 2kh2 s PHE 117 Cb 0.13 -2.21 -0.04 0.00 -0.57 0.00 0.00 43.02 40.33 2kh2 s PHE 117 CO 0.84 -0.79 1.33 -2.14 -0.10 0.00 0.00 175.22 174.35 2kh2 s PRO 118 N 0.33 3.03 0.00 0.24 0.02 -1.08 -2.46 135.00 135.08 2kh2 s PRO 118 Ca 0.16 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.33 2kh2 s PRO 118 Cb -0.24 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 32.13 2kh2 s PRO 118 CO -0.02 -1.25 0.00 -1.71 -0.33 0.00 0.00 177.00 173.69 2kh2 n ASN 119 N -1.22 0.00 -4.38 2.53 4.05 -1.26 -4.99 115.26 109.99 2kh2 n ASN 119 Ca 0.12 0.00 -0.35 0.00 0.45 0.00 0.00 54.58 54.79 2kh2 n ASN 119 Cb 0.46 -0.13 -0.13 0.00 1.23 0.00 0.00 39.78 41.21 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 2kh2 s TRP 120 N -3.69 3.01 0.20 1.20 0.52 -1.03 -4.54 118.94 114.62 2kh2 s TRP 120 Ca 0.00 -0.69 0.10 0.00 0.02 0.00 0.00 56.10 55.53 2kh2 s TRP 120 Cb 0.00 -2.15 -0.04 0.00 -1.15 0.00 0.00 33.47 30.13 2kh2 s TRP 120 CO 0.00 -0.44 -0.14 0.71 0.02 0.00 0.00 176.95 177.10 2kh2 s TYR 121 N 1.45 2.51 -0.02 -1.98 1.51 0.82 -0.65 117.35 120.99 2kh2 s TYR 121 Ca 0.05 -0.27 -0.30 0.00 -1.01 0.00 0.00 57.07 55.54 2kh2 s TYR 121 Cb -0.15 -1.21 -0.06 0.00 -0.11 0.00 0.00 41.96 40.43 2kh2 s TYR 121 CO -0.00 0.54 1.72 0.42 -1.11 0.00 0.00 175.55 177.12 2kh2 s ILE 122 N -1.83 3.42 0.17 2.71 1.01 -0.61 -0.70 121.20 125.37 2kh2 s ILE 122 Ca 0.25 0.55 0.09 0.00 0.00 0.00 0.00 60.65 61.54 2kh2 s ILE 122 Cb -0.08 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 2kh2 s ILE 122 CO 0.14 -0.04 -0.14 -0.44 0.00 0.00 0.00 174.94 174.45 2kh2 s SER 123 N 3.49 4.01 0.06 3.58 0.01 0.84 -4.30 113.70 121.39 2kh2 s SER 123 Ca 0.77 -0.64 0.04 0.00 1.31 0.00 0.00 55.95 57.43 2kh2 s SER 123 Cb -0.36 -0.59 -0.03 0.00 0.21 0.00 0.00 66.02 65.26 2kh2 s SER 123 CO 0.32 0.12 -0.12 -0.89 0.41 0.00 0.00 173.24 173.08 2kh2 s THR 124 N -1.59 0.96 0.68 1.44 2.01 -0.21 -2.40 115.64 116.52 2kh2 s THR 124 Ca 0.23 -1.17 -0.09 0.00 0.31 0.00 0.00 61.69 60.97 2kh2 s THR 124 Cb -0.09 -0.93 0.03 0.00 0.01 0.00 0.00 72.50 71.52 2kh2 s THR 124 CO 0.13 -0.21 1.03 -0.44 -0.69 0.00 0.00 174.62 174.44 2kh2 s SER 125 N -1.55 5.26 0.10 3.53 0.01 -1.26 -1.41 113.70 118.37 2kh2 s SER 125 Ca -0.03 0.84 -0.09 0.00 1.31 0.00 0.00 55.95 57.98 2kh2 s SER 125 Cb -0.09 -1.63 -0.18 0.00 0.21 0.00 0.00 66.02 64.32 2kh2 s SER 125 CO 0.02 -1.38 1.22 1.56 0.41 0.00 0.00 173.24 175.07 2kh2 h GLN 126 N -0.55 0.53 -7.28 12.44 1.08 -2.00 -3.46 115.11 115.86 2kh2 h GLN 126 Ca -0.45 -0.61 -0.52 0.00 -1.45 0.00 0.00 58.65 55.62 2kh2 h GLN 126 Cb 1.28 0.18 0.16 0.00 -0.05 0.00 0.00 27.48 29.05 2kh2 h GLN 126 CO 0.63 1.23 0.29 0.00 -0.95 0.00 0.00 178.83 180.03 2kh2 s ALA 127 N -3.19 1.95 0.38 3.87 0.00 -1.26 -5.02 121.76 118.48 2kh2 s ALA 127 Ca -0.08 0.47 -0.12 0.00 0.00 0.00 0.00 51.96 52.23 2kh2 s ALA 127 Cb 0.08 -3.36 -0.07 0.00 0.00 0.00 0.00 23.12 19.76 2kh2 s ALA 127 CO 0.90 -2.14 0.76 -2.00 0.00 0.00 0.00 175.76 173.28 2kh2 s GLU 128 N -4.66 3.85 -1.12 0.00 2.56 -1.26 -4.10 118.70 113.97 2kh2 s GLU 128 Ca 0.65 0.53 0.00 0.00 0.00 0.00 0.00 54.97 56.15 2kh2 s GLU 128 Cb -0.21 -2.40 0.00 0.00 2.00 0.00 0.00 34.13 33.52 2kh2 s GLU 128 CO 0.55 0.03 0.00 -1.71 -0.56 0.00 0.00 175.26 173.56 2kh2 n ASN 129 N -1.00 -4.05 -4.85 -1.70 5.15 -0.99 -5.01 115.26 102.81 2kh2 n ASN 129 Ca 0.03 0.03 -0.37 0.00 -0.60 0.00 0.00 54.58 53.67 2kh2 n ASN 129 Cb 0.54 -3.16 -0.06 0.00 -0.53 0.00 0.00 39.78 36.56 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 -4.40 3.71 0.98 1.20 -1.94 -1.22 -4.82 119.30 112.81 2kh2 s MET 130 Ca 0.00 0.12 -0.13 0.00 -1.71 0.00 0.00 55.69 53.97 2kh2 s MET 130 Cb 0.00 -3.22 0.18 0.00 2.01 0.00 0.00 34.83 33.80 2kh2 s MET 130 CO 0.00 0.70 1.11 -2.14 -0.01 0.00 0.00 175.02 174.68 2kh2 s PRO 131 N -0.93 0.58 -0.07 2.03 0.02 -1.26 -1.22 135.00 134.14 2kh2 s PRO 131 Ca 0.19 0.39 -0.13 0.00 0.02 0.00 0.00 61.00 61.46 2kh2 s PRO 131 Cb -0.14 -1.77 -0.05 0.00 0.02 0.00 0.00 34.50 32.56 2kh2 s PRO 131 CO 0.08 -2.60 0.33 0.08 -0.33 0.00 0.00 177.00 174.56 2kh2 s VAL 132 N -3.09 5.20 0.28 3.83 1.01 -1.23 -4.59 120.40 121.81 2kh2 s VAL 132 Ca 0.65 0.65 0.00 0.00 0.00 0.00 0.00 61.98 63.28 2kh2 s VAL 132 Cb -0.17 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 2kh2 s VAL 132 CO 0.56 0.52 0.28 0.72 0.00 0.00 0.00 175.10 177.18 2kh2 s PHE 133 N -0.53 1.25 -0.23 5.22 -0.71 -1.01 -4.85 117.98 117.12 2kh2 s PHE 133 Ca 0.20 -1.39 -0.09 0.00 -1.04 0.00 0.00 56.93 54.62 2kh2 s PHE 133 Cb -0.15 -0.44 -0.04 0.00 -1.21 0.00 0.00 43.02 41.18 2kh2 s PHE 133 CO 0.09 -0.85 0.11 -1.17 -1.34 0.00 0.00 175.22 172.06 2kh2 s LEU 134 N -3.23 3.83 0.19 -1.99 2.96 -1.26 -0.11 118.68 119.07 2kh2 s LEU 134 Ca 0.36 0.00 0.05 0.00 -0.22 0.00 0.00 54.13 54.32 2kh2 s LEU 134 Cb 0.03 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.66 2kh2 s LEU 134 CO 0.18 0.06 -0.06 -0.83 -1.32 0.00 0.00 176.35 174.38 2kh2 s GLY 135 N 1.07 1.34 -0.03 7.98 0.00 0.12 -4.81 107.32 112.99 2kh2 s GLY 135 Ca 0.06 -1.64 0.04 0.00 0.00 0.00 0.00 44.72 43.17 2kh2 s GLY 135 CO 0.04 -1.65 1.03 0.61 0.00 0.00 0.00 173.10 173.12 2kh2 n GLY 136 N -0.33 3.33 2.63 0.20 0.00 -1.26 -0.13 105.19 109.64 2kh2 n GLY 136 Ca -0.08 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.70 4.73 -2.10 2.61 -1.04 -1.26 -4.93 114.28 111.58 2kh2 n THR 137 Ca 0.03 -4.54 -0.42 0.00 -2.04 0.00 0.00 64.05 57.09 2kh2 n THR 137 Cb 0.34 -1.62 -0.03 0.00 -1.82 0.00 0.00 70.33 67.20 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 -2.91 4.32 0.00 -2.82 2.20 -1.26 -2.33 119.74 116.93 2kh2 s LYS 138 Ca 0.50 2.18 0.00 0.00 -0.36 0.00 0.00 55.97 58.29 2kh2 s LYS 138 Cb 0.29 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 2kh2 s LYS 138 CO -0.21 -0.38 0.00 0.41 -0.36 0.00 0.00 175.35 174.82 2kh2 n GLY 139 N 2.58 0.64 0.00 5.54 0.00 -1.26 -5.02 105.19 107.67 2kh2 n GLY 139 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.69 2.23 0.10 -0.02 0.00 -0.98 -5.01 105.19 98.81 2kh2 n GLY 140 Ca 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 46.02 45.11 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 -6.43 1.61 7.50 -1.96 -3.46 115.11 112.38 2kh2 h GLN 141 Ca 0.00 0.00 -0.54 0.00 0.50 0.00 0.00 58.65 58.61 2kh2 h GLN 141 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 2kh2 h GLN 141 CO 0.00 0.42 0.53 -0.51 -1.50 0.00 0.00 178.83 177.78 2kh2 s ASP 142 N -6.03 7.15 -0.17 1.46 1.01 -1.26 -4.66 116.67 114.17 2kh2 s ASP 142 Ca -0.02 1.87 -0.29 0.00 0.71 0.00 0.00 52.55 54.82 2kh2 s ASP 142 Cb 0.08 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.43 2kh2 s ASP 142 CO 0.80 -0.43 1.18 -0.63 0.21 0.00 0.00 175.17 176.30 2kh2 s ILE 143 N 1.27 4.42 -0.03 0.77 1.01 -0.50 -4.54 121.20 123.60 2kh2 s ILE 143 Ca 0.56 1.72 0.09 0.00 0.00 0.00 0.00 60.65 63.02 2kh2 s ILE 143 Cb -0.26 -4.11 -0.13 0.00 0.01 0.00 0.00 42.46 37.97 2kh2 s ILE 143 CO 0.27 -0.13 0.16 0.35 0.00 0.00 0.00 174.94 175.59 2kh2 n THR 144 N 5.26 0.14 -3.32 2.92 -2.24 -1.26 -1.05 114.28 114.74 2kh2 n THR 144 Ca 0.13 -0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 61.31 2kh2 n THR 144 Cb 0.45 0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.67 2kh2 n THR 144 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2kh2 s ASP 145 N -3.29 6.83 0.30 3.42 -4.77 -1.26 -4.13 116.67 113.77 2kh2 s ASP 145 Ca -0.04 1.12 0.05 0.00 -3.30 0.00 0.00 52.55 50.38 2kh2 s ASP 145 Cb 0.05 -2.30 -0.03 0.00 -1.09 0.00 0.00 42.92 39.54 2kh2 s ASP 145 CO 0.37 0.06 0.22 -0.36 0.70 0.00 0.00 175.17 176.16 2kh2 s PHE 146 N -1.54 1.60 -0.03 2.11 0.08 0.12 -3.71 117.98 116.62 2kh2 s PHE 146 Ca 0.41 -1.53 0.04 0.00 0.12 0.00 0.00 56.93 55.97 2kh2 s PHE 146 Cb -0.15 -0.74 -0.01 0.00 -0.57 0.00 0.00 43.02 41.56 2kh2 s PHE 146 CO 0.20 -0.72 -0.16 0.95 -0.10 0.00 0.00 175.22 175.39 2kh2 s THR 147 N -3.62 1.27 -0.20 0.64 -4.23 0.15 -1.20 115.64 108.45 2kh2 s THR 147 Ca 0.38 -0.65 -0.17 0.00 -1.18 0.00 0.00 61.69 60.07 2kh2 s THR 147 Cb 0.04 -1.08 -0.04 0.00 1.34 0.00 0.00 72.50 72.76 2kh2 s THR 147 CO 0.22 0.37 0.46 -0.32 -0.54 0.00 0.00 174.62 174.80 2kh2 s MET 148 N -0.12 4.19 -0.31 3.99 1.75 -1.26 -2.04 119.30 125.49 2kh2 s MET 148 Ca 0.01 0.31 0.03 0.00 -1.25 0.00 0.00 55.69 54.79 2kh2 s MET 148 Cb -0.09 -3.55 0.08 0.00 2.84 0.00 0.00 34.83 34.12 2kh2 s MET 148 CO 0.01 -0.09 -0.00 -0.65 -0.65 0.00 0.00 175.02 173.64 2kh2 s GLN 149 N 1.44 1.84 0.09 4.11 1.11 -0.02 -4.95 119.66 123.27 2kh2 s GLN 149 Ca 0.22 -1.65 -0.31 0.00 0.01 0.00 0.00 55.36 53.63 2kh2 s GLN 149 Cb -0.15 -3.12 -0.06 0.00 -1.01 0.00 0.00 33.01 28.67 2kh2 s GLN 149 CO 0.09 -0.80 1.23 -0.06 0.01 0.00 0.00 175.29 175.76 2kh2 s PHE 150 N 1.01 3.40 0.20 0.91 0.08 -1.26 -0.39 117.98 121.93 2kh2 s PHE 150 Ca 0.03 1.26 0.00 0.00 0.12 0.00 0.00 56.93 58.33 2kh2 s PHE 150 Cb -0.20 -3.47 0.00 0.00 -0.57 0.00 0.00 43.02 38.79 2kh2 s PHE 150 CO -0.06 -1.46 0.00 1.33 -0.10 0.00 0.00 175.22 174.93 2kh2 n VAL 151 N 3.74 0.00 -3.28 -0.44 0.24 -1.20 -4.96 118.33 112.43 2kh2 n VAL 151 Ca 0.09 -0.96 -0.45 0.00 -2.04 0.00 0.00 64.34 60.97 2kh2 n VAL 151 Cb 0.45 0.18 -0.01 0.00 -1.47 0.00 0.00 33.84 33.00 2kh2 n VAL 151 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2kh2 s SER 152 N -2.13 7.13 0.00 -1.34 0.01 -1.26 -4.91 113.70 111.20 2kh2 s SER 152 Ca 0.00 -3.25 0.00 0.00 1.31 0.00 0.00 55.95 54.02 2kh2 s SER 152 Cb -0.00 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.99 2kh2 s SER 152 CO 0.00 -0.44 0.00 -1.20 0.41 0.00 0.00 173.24 172.02