#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 0.11 -5.03 0.00 0.13 -2.07 -3.41 132.00 121.73 2kh2 h PRO 2 Ca 0.00 -0.05 -0.67 0.00 -0.87 0.00 0.00 66.00 64.42 2kh2 h PRO 2 Cb 0.00 -0.00 -0.32 0.00 0.13 0.00 0.00 31.00 30.80 2kh2 h PRO 2 CO 0.00 0.48 -0.81 0.54 -0.23 0.00 0.00 178.00 177.98 2kh2 s VAL 3 N -4.18 2.54 0.15 1.56 0.11 -1.26 -5.05 120.40 114.27 2kh2 s VAL 3 Ca -0.04 -0.80 0.03 0.00 -2.93 0.00 0.00 61.98 58.25 2kh2 s VAL 3 Cb 0.14 -2.12 -0.04 0.00 -1.53 0.00 0.00 36.38 32.84 2kh2 s VAL 3 CO 0.75 0.48 0.23 -0.13 -3.33 0.00 0.00 175.10 173.09 2kh2 s ARG 4 N 1.35 3.24 -0.17 1.54 0.52 -1.26 -4.98 118.95 119.20 2kh2 s ARG 4 Ca 0.05 -0.69 -0.22 0.00 -0.52 0.00 0.00 55.73 54.35 2kh2 s ARG 4 Cb -0.14 -2.85 0.06 0.00 0.52 0.00 0.00 34.95 32.54 2kh2 s ARG 4 CO -0.09 0.51 0.57 0.45 0.02 0.00 0.00 175.30 176.76 2kh2 s SER 5 N -3.16 -0.57 0.30 0.23 0.15 -1.26 -1.09 113.70 108.29 2kh2 s SER 5 Ca 0.33 0.98 0.04 0.00 0.70 0.00 0.00 55.95 58.00 2kh2 s SER 5 Cb -0.11 0.98 -0.06 0.00 -1.71 0.00 0.00 66.02 65.12 2kh2 s SER 5 CO 0.27 -0.30 0.04 -1.48 1.20 0.00 0.00 173.24 172.96 2kh2 s LEU 6 N -0.14 2.18 -0.12 3.45 0.05 -1.02 -4.91 118.68 118.17 2kh2 s LEU 6 Ca -0.03 -1.33 -0.01 0.00 0.05 0.00 0.00 54.13 52.80 2kh2 s LEU 6 Cb -0.03 -0.36 -0.02 0.00 -2.05 0.00 0.00 46.19 43.72 2kh2 s LEU 6 CO 0.03 -0.57 -0.09 0.20 -0.55 0.00 0.00 176.35 175.36 2kh2 s ASN 7 N -3.44 4.35 0.11 1.48 0.01 -1.26 0.15 114.94 116.34 2kh2 s ASN 7 Ca 0.35 -0.21 -0.11 0.00 -0.71 0.00 0.00 52.86 52.18 2kh2 s ASN 7 Cb 0.08 -1.54 0.01 0.00 0.41 0.00 0.00 41.25 40.20 2kh2 s ASN 7 CO 0.14 0.21 0.26 0.00 -1.51 0.00 0.00 177.10 176.20 2kh2 s THR 9 N -3.86 3.12 -0.23 0.00 2.01 0.59 -1.17 115.64 116.10 2kh2 s THR 9 Ca 0.06 -0.61 -0.20 0.00 0.31 0.00 0.00 61.69 61.24 2kh2 s THR 9 Cb 0.04 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.17 2kh2 s THR 9 CO -0.10 0.49 0.62 -0.76 -0.69 0.00 0.00 174.62 174.18 2kh2 s LEU 10 N 0.81 4.10 -0.07 4.42 1.43 -1.26 -2.88 118.68 125.23 2kh2 s LEU 10 Ca -0.04 0.75 0.03 0.00 -1.03 0.00 0.00 54.13 53.85 2kh2 s LEU 10 Cb -0.15 -2.85 0.01 0.00 0.03 0.00 0.00 46.19 43.22 2kh2 s LEU 10 CO 0.01 -0.31 -0.16 -0.13 0.23 0.00 0.00 176.35 175.98 2kh2 s ARG 11 N 2.19 2.02 1.02 1.70 1.81 -1.26 -3.95 118.95 122.47 2kh2 s ARG 11 Ca 0.27 -0.57 -0.17 0.00 -1.72 0.00 0.00 55.73 53.53 2kh2 s ARG 11 Cb -0.16 -1.64 0.24 0.00 -0.45 0.00 0.00 34.95 32.94 2kh2 s ARG 11 CO 0.09 0.13 1.22 -0.40 -0.68 0.00 0.00 175.30 175.66 2kh2 n ASP 12 N 3.54 -0.53 0.03 0.23 5.75 -1.17 -1.01 116.55 123.39 2kh2 n ASP 12 Ca -0.21 -1.37 0.06 0.00 -0.01 0.00 0.00 54.79 53.26 2kh2 n ASP 12 Cb 0.52 -0.98 0.28 0.00 -1.03 0.00 0.00 41.12 39.91 2kh2 n ASP 12 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2kh2 n SER 13 N -4.12 0.15 -1.17 -1.12 7.64 -1.25 -1.06 113.62 112.69 2kh2 n SER 13 Ca 0.16 0.55 0.12 0.00 1.01 0.00 0.00 58.87 60.70 2kh2 n SER 13 Cb 0.56 -0.58 0.22 0.00 -1.01 0.00 0.00 64.21 63.41 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 -1.68 2.53 -2.64 1.43 1.13 -1.26 -4.95 117.38 111.94 2kh2 n GLN 14 Ca 0.02 -2.32 -0.15 0.00 -1.94 0.00 0.00 57.00 52.62 2kh2 n GLN 14 Cb 0.12 -1.52 0.02 0.00 0.11 0.00 0.00 30.24 28.97 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 1.52 -2.76 -3.12 -1.09 1.13 -0.22 -5.01 117.38 107.83 2kh2 n GLN 15 Ca 0.20 0.63 -0.32 0.00 -1.94 0.00 0.00 57.00 55.57 2kh2 n GLN 15 Cb 0.61 -4.88 -0.05 0.00 0.11 0.00 0.00 30.24 26.03 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 -5.16 3.90 0.01 -1.09 1.02 -1.26 -4.55 119.74 112.61 2kh2 s LYS 16 Ca 0.15 0.53 0.06 0.00 0.02 0.00 0.00 55.97 56.74 2kh2 s LYS 16 Cb -0.07 -2.46 -0.03 0.00 -0.52 0.00 0.00 37.83 34.75 2kh2 s LYS 16 CO 0.19 0.14 -0.18 -1.12 -0.92 0.00 0.00 175.35 173.45 2kh2 s SER 17 N -2.54 3.75 -0.16 2.83 0.01 0.15 -3.03 113.70 114.70 2kh2 s SER 17 Ca 0.52 -0.38 -0.26 0.00 1.31 0.00 0.00 55.95 57.14 2kh2 s SER 17 Cb -0.10 -0.62 -0.01 0.00 0.21 0.00 0.00 66.02 65.49 2kh2 s SER 17 CO 0.22 0.28 0.85 -0.76 0.41 0.00 0.00 173.24 174.24 2kh2 s LEU 18 N -1.18 4.19 0.08 2.44 1.43 -1.25 -1.59 118.68 122.79 2kh2 s LEU 18 Ca 0.13 1.21 0.08 0.00 -1.03 0.00 0.00 54.13 54.52 2kh2 s LEU 18 Cb -0.10 -3.26 -0.03 0.00 0.03 0.00 0.00 46.19 42.82 2kh2 s LEU 18 CO 0.03 -0.40 -0.21 0.68 0.23 0.00 0.00 176.35 176.69 2kh2 s VAL 19 N 2.10 1.72 -0.45 -1.59 -7.23 0.74 -1.56 120.40 114.13 2kh2 s VAL 19 Ca 0.39 -1.39 -0.28 0.00 -1.81 0.00 0.00 61.98 58.89 2kh2 s VAL 19 Cb -0.17 -1.53 0.03 0.00 0.56 0.00 0.00 36.38 35.27 2kh2 s VAL 19 CO 0.13 0.07 1.05 -0.04 -0.31 0.00 0.00 175.10 176.01 2kh2 s MET 20 N -1.57 3.71 0.00 4.82 -1.94 -1.26 -1.13 119.30 121.92 2kh2 s MET 20 Ca 0.07 0.49 0.00 0.00 -1.71 0.00 0.00 55.69 54.55 2kh2 s MET 20 Cb -0.09 -3.89 0.00 0.00 2.01 0.00 0.00 34.83 32.86 2kh2 s MET 20 CO 0.03 -1.26 0.04 0.45 -0.01 0.00 0.00 175.02 174.28 2kh2 n SER 21 N 7.47 0.00 -1.46 3.03 2.88 -0.27 -4.97 113.62 120.30 2kh2 n SER 21 Ca 0.10 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2kh2 n SER 21 Cb 0.49 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 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 2.24 1.79 0.18 0.46 0.00 -1.19 -4.95 105.19 103.73 2kh2 n GLY 22 Ca 0.00 -2.08 0.03 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.32 1.61 0.13 -2.04 -3.22 132.00 128.16 2kh2 h PRO 23 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.87 2kh2 h PRO 23 Cb 0.00 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 30.81 2kh2 h PRO 23 CO 0.00 0.39 -0.89 0.66 -0.23 0.00 0.00 178.00 177.93 2kh2 n TYR 24 N -3.92 1.09 -4.02 1.56 4.01 -1.26 -5.03 117.16 109.59 2kh2 n TYR 24 Ca -0.01 -1.64 -0.16 0.00 -0.16 0.00 0.00 57.90 55.93 2kh2 n TYR 24 Cb 0.44 -0.24 -0.15 0.00 -0.31 0.00 0.00 39.34 39.08 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 -2.74 0.32 -0.04 -0.72 2.12 -1.22 -4.55 118.70 111.88 2kh2 s GLU 25 Ca 0.37 -0.04 0.05 0.00 0.36 0.00 0.00 54.97 55.71 2kh2 s GLU 25 Cb 0.37 -0.39 -0.01 0.00 0.26 0.00 0.00 34.13 34.36 2kh2 s GLU 25 CO -0.06 -0.02 -0.21 -0.51 -0.54 0.00 0.00 175.26 173.93 2kh2 s LEU 26 N 0.42 1.99 0.10 2.70 1.43 -1.26 -1.11 118.68 122.95 2kh2 s LEU 26 Ca -0.04 -0.42 0.05 0.00 -1.03 0.00 0.00 54.13 52.69 2kh2 s LEU 26 Cb -0.07 -1.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 2kh2 s LEU 26 CO -0.01 0.21 -0.12 -0.54 0.23 0.00 0.00 176.35 176.12 2kh2 s LYS 27 N -0.14 0.91 -0.15 1.70 1.02 -0.29 -1.25 119.74 121.54 2kh2 s LYS 27 Ca -0.01 -1.18 0.00 0.00 0.02 0.00 0.00 55.97 54.80 2kh2 s LYS 27 Cb -0.12 -0.68 -0.00 0.00 -0.52 0.00 0.00 37.83 36.51 2kh2 s LYS 27 CO 0.02 0.12 -0.15 0.00 -0.92 0.00 0.00 175.35 174.42 2kh2 s ALA 28 N -2.28 2.52 0.21 5.17 0.00 0.11 -0.18 121.76 127.31 2kh2 s ALA 28 Ca 0.06 -1.01 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 2kh2 s ALA 28 Cb -0.04 -1.22 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 2kh2 s ALA 28 CO 0.01 0.03 0.34 -0.48 0.00 0.00 0.00 175.76 175.66 2kh2 s LEU 29 N 0.72 0.71 -0.01 0.00 0.05 -0.62 -2.70 118.68 116.82 2kh2 s LEU 29 Ca -0.07 -1.02 -0.30 0.00 0.05 0.00 0.00 54.13 52.79 2kh2 s LEU 29 Cb -0.15 1.26 -0.03 0.00 -2.05 0.00 0.00 46.19 45.22 2kh2 s LEU 29 CO 0.01 -1.00 1.01 -1.00 -0.55 0.00 0.00 176.35 174.83 2kh2 s HIS 30 N -4.04 3.60 -0.06 3.48 3.76 -1.26 0.29 115.29 121.06 2kh2 s HIS 30 Ca 0.25 1.63 0.05 0.00 -0.15 0.00 0.00 55.06 56.84 2kh2 s HIS 30 Cb 0.02 -3.17 -0.01 0.00 1.11 0.00 0.00 32.58 30.54 2kh2 s HIS 30 CO 0.07 -0.19 -0.22 -1.17 -0.85 0.00 0.00 174.74 172.38 2kh2 s LEU 31 N 1.22 2.00 0.00 0.89 2.96 -1.26 -4.94 118.68 119.55 2kh2 s LEU 31 Ca 0.52 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 2kh2 s LEU 31 Cb -0.21 -1.23 -0.00 0.00 0.50 0.00 0.00 46.19 45.24 2kh2 s LEU 31 CO 0.26 0.19 0.10 1.67 -1.32 0.00 0.00 176.35 177.26 2kh2 n GLN 32 N 3.16 0.15 0.00 1.98 7.27 -1.26 -4.93 117.38 123.75 2kh2 n GLN 32 Ca -0.18 -0.78 0.00 0.00 0.07 0.00 0.00 57.00 56.11 2kh2 n GLN 32 Cb 0.52 0.70 0.00 0.00 2.41 0.00 0.00 30.24 33.87 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 -0.15 2.12 1.81 1.69 0.00 -1.26 -2.57 105.19 106.83 2kh2 n GLY 33 Ca 0.01 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.64 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 8.30 4.66 -0.15 1.61 -0.06 -1.26 -4.04 117.38 126.45 2kh2 n GLN 34 Ca 0.00 -2.97 0.12 0.00 -2.00 0.00 0.00 57.00 52.14 2kh2 n GLN 34 Cb 0.00 -2.22 0.20 0.00 -4.06 0.00 0.00 30.24 24.16 2kh2 n GLN 34 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 2kh2 n ASP 35 N 0.61 3.33 0.28 1.69 4.64 -1.06 -4.34 116.55 121.70 2kh2 n ASP 35 Ca 0.26 -1.99 0.16 0.00 -1.38 0.00 0.00 54.79 51.85 2kh2 n ASP 35 Cb 1.14 -0.19 0.92 0.00 -1.04 0.00 0.00 41.12 41.95 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 -0.82 0.00 0.00 177.20 176.35 2kh2 h MET 36 N 4.50 0.00 0.00 -0.67 4.05 -1.70 -1.77 114.93 119.34 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 0.98 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.78 2kh2 h MET 36 CO 0.00 0.00 0.00 0.39 0.23 0.00 0.00 176.91 177.53 2kh2 n GLU 37 N -3.75 0.17 0.00 0.39 -0.58 -1.26 -1.85 120.64 113.76 2kh2 n GLU 37 Ca -0.02 0.15 0.13 0.00 -0.42 0.00 0.00 57.16 57.00 2kh2 n GLU 37 Cb 0.15 -1.50 0.48 0.00 -0.57 0.00 0.00 31.44 30.00 2kh2 n GLU 37 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2kh2 n GLN 38 N -1.21 0.60 -1.67 3.49 6.02 -0.67 -4.91 117.38 119.04 2kh2 n GLN 38 Ca 0.05 -0.28 -0.32 0.00 -0.01 0.00 0.00 57.00 56.44 2kh2 n GLN 38 Cb 0.06 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 29.88 2kh2 n GLN 38 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2kh2 s GLN 39 N -2.59 2.81 -0.08 -1.09 -2.07 -0.77 -4.66 119.66 111.21 2kh2 s GLN 39 Ca 0.24 1.22 -0.07 0.00 -1.82 0.00 0.00 55.36 54.92 2kh2 s GLN 39 Cb 0.19 -1.96 -0.04 0.00 -1.09 0.00 0.00 33.01 30.11 2kh2 s GLN 39 CO 0.53 -1.22 0.18 0.08 -1.32 0.00 0.00 175.29 173.54 2kh2 s VAL 40 N -2.63 5.44 -0.17 3.63 1.01 -0.60 -5.01 120.40 122.07 2kh2 s VAL 40 Ca 0.63 0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.75 2kh2 s VAL 40 Cb -0.17 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2kh2 s VAL 40 CO 0.46 0.54 -0.00 -0.69 0.00 0.00 0.00 175.10 175.41 2kh2 s VAL 41 N -1.11 4.13 -0.09 2.92 1.01 -1.26 -4.67 120.40 121.33 2kh2 s VAL 41 Ca 0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 2kh2 s VAL 41 Cb -0.13 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 2kh2 s VAL 41 CO 0.08 0.47 -0.02 -0.36 0.00 0.00 0.00 175.10 175.27 2kh2 s PHE 42 N 0.54 3.09 -0.18 5.22 0.08 -0.32 -2.17 117.98 124.24 2kh2 s PHE 42 Ca -0.01 0.11 -0.20 0.00 0.12 0.00 0.00 56.93 56.95 2kh2 s PHE 42 Cb -0.14 -1.79 -0.03 0.00 -0.57 0.00 0.00 43.02 40.49 2kh2 s PHE 42 CO 0.02 0.39 0.60 -1.12 -0.10 0.00 0.00 175.22 175.00 2kh2 s SER 43 N -0.73 6.68 -0.61 1.36 0.01 0.48 -1.28 113.70 119.61 2kh2 s SER 43 Ca 0.11 0.82 -0.12 0.00 1.31 0.00 0.00 55.95 58.08 2kh2 s SER 43 Cb -0.11 -2.33 0.16 0.00 0.21 0.00 0.00 66.02 63.94 2kh2 s SER 43 CO 0.02 -0.22 0.52 -0.32 0.41 0.00 0.00 173.24 173.65 2kh2 s MET 44 N 1.67 2.95 0.14 12.44 1.75 0.12 -2.65 119.30 135.72 2kh2 s MET 44 Ca 0.28 -2.05 -0.25 0.00 -1.25 0.00 0.00 55.69 52.42 2kh2 s MET 44 Cb -0.16 -4.14 -0.08 0.00 2.84 0.00 0.00 34.83 33.29 2kh2 s MET 44 CO 0.11 -1.26 0.75 -1.12 -0.65 0.00 0.00 175.02 172.85 2kh2 s SER 45 N 2.51 7.33 -0.80 1.11 0.01 -1.13 -2.42 113.70 120.30 2kh2 s SER 45 Ca 0.10 1.58 -0.22 0.00 1.31 0.00 0.00 55.95 58.72 2kh2 s SER 45 Cb -0.22 -2.48 0.08 0.00 0.21 0.00 0.00 66.02 63.61 2kh2 s SER 45 CO -0.02 0.20 1.13 -0.36 0.41 0.00 0.00 173.24 174.59 2kh2 s PHE 46 N -1.02 2.72 0.84 2.43 0.08 -0.25 -1.37 117.98 121.41 2kh2 s PHE 46 Ca 0.35 -0.75 -0.11 0.00 0.12 0.00 0.00 56.93 56.54 2kh2 s PHE 46 Cb -0.22 -4.40 0.14 0.00 -0.57 0.00 0.00 43.02 37.96 2kh2 s PHE 46 CO 0.25 -1.71 1.18 0.14 -0.10 0.00 0.00 175.22 174.98 2kh2 s VAL 47 N 4.06 2.08 -0.44 -0.44 -7.23 -1.05 -4.63 120.40 112.75 2kh2 s VAL 47 Ca 0.30 -0.14 -0.12 0.00 -1.81 0.00 0.00 61.98 60.21 2kh2 s VAL 47 Cb -0.10 -2.93 0.08 0.00 0.56 0.00 0.00 36.38 33.99 2kh2 s VAL 47 CO 0.02 0.00 0.32 -1.58 -0.31 0.00 0.00 175.10 173.55 2kh2 s GLN 48 N -5.59 2.77 0.00 4.82 2.00 -0.24 -4.77 119.66 118.66 2kh2 s GLN 48 Ca 0.68 -1.41 0.00 0.00 -2.00 0.00 0.00 55.36 52.63 2kh2 s GLN 48 Cb -0.07 -3.94 0.00 0.00 0.80 0.00 0.00 33.01 29.80 2kh2 s GLN 48 CO 0.49 -0.99 0.00 0.41 -0.50 0.00 0.00 175.29 174.71 2kh2 n GLY 49 N 5.04 3.87 3.55 2.59 0.00 -1.26 -4.86 105.19 114.12 2kh2 n GLY 49 Ca -0.11 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 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 4.56 3.23 0.13 1.61 2.56 -1.26 -4.96 118.70 124.57 2kh2 s GLU 50 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 54.97 54.69 2kh2 s GLU 50 Cb 0.00 -4.31 -0.04 0.00 2.00 0.00 0.00 34.13 31.78 2kh2 s GLU 50 CO 0.00 -2.16 0.10 -2.00 -0.56 0.00 0.00 175.26 170.63 2kh2 s GLU 51 N 5.67 2.83 0.00 4.30 2.12 -1.26 -3.77 118.70 128.59 2kh2 s GLU 51 Ca 0.36 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.88 2kh2 s GLU 51 Cb -0.07 -2.65 0.00 0.00 0.26 0.00 0.00 34.13 31.67 2kh2 s GLU 51 CO 0.12 0.52 0.00 -1.13 -0.54 0.00 0.00 175.26 174.23 2kh2 n SER 52 N 0.04 0.00 0.02 -1.70 3.41 -0.50 -4.98 113.62 109.91 2kh2 n SER 52 Ca -0.09 -0.23 0.11 0.00 -0.26 0.00 0.00 58.87 58.40 2kh2 n SER 52 Cb 0.53 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 2kh2 n SER 52 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2kh2 n ASN 53 N -0.23 0.60 0.00 4.04 5.15 -1.26 -4.21 115.26 119.36 2kh2 n ASN 53 Ca 0.00 -0.33 0.00 0.00 -0.60 0.00 0.00 54.58 53.65 2kh2 n ASN 53 Cb 0.00 0.98 0.00 0.00 -0.53 0.00 0.00 39.78 40.23 2kh2 n ASN 53 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2kh2 n ASP 54 N -1.91 1.53 -3.72 1.20 5.75 -1.26 -4.97 116.55 113.18 2kh2 n ASP 54 Ca 0.02 -1.70 -0.13 0.00 -0.01 0.00 0.00 54.79 52.97 2kh2 n ASP 54 Cb 0.43 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.39 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 -0.70 0.19 -0.16 0.11 2.20 -1.26 -0.14 119.74 119.99 2kh2 s LYS 55 Ca 0.00 0.56 0.01 0.00 -0.36 0.00 0.00 55.97 56.17 2kh2 s LYS 55 Cb 0.00 -0.11 0.02 0.00 -1.51 0.00 0.00 37.83 36.23 2kh2 s LYS 55 CO 0.00 -0.18 -0.17 0.42 -0.36 0.00 0.00 175.35 175.06 2kh2 s ILE 56 N 1.43 1.81 -0.37 5.43 -1.09 0.11 -1.40 121.20 127.12 2kh2 s ILE 56 Ca -0.08 -0.78 -0.29 0.00 -2.23 0.00 0.00 60.65 57.27 2kh2 s ILE 56 Cb -0.11 -1.66 0.02 0.00 -1.58 0.00 0.00 42.46 39.13 2kh2 s ILE 56 CO -0.08 0.50 1.20 -2.16 -1.23 0.00 0.00 174.94 173.16 2kh2 s PRO 57 N 1.39 3.86 0.30 2.79 0.04 -1.25 -0.77 135.00 141.36 2kh2 s PRO 57 Ca 0.05 0.95 0.04 0.00 0.04 0.00 0.00 61.00 62.07 2kh2 s PRO 57 Cb -0.13 -3.86 -0.04 0.00 0.04 0.00 0.00 34.50 30.51 2kh2 s PRO 57 CO -0.12 -1.19 0.18 0.14 0.04 0.00 0.00 177.00 176.05 2kh2 s VAL 58 N 4.32 0.20 0.23 -0.36 -7.23 -0.25 -2.53 120.40 114.77 2kh2 s VAL 58 Ca 0.51 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.79 2kh2 s VAL 58 Cb -0.12 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 2kh2 s VAL 58 CO 0.25 0.00 -0.20 0.00 -0.31 0.00 0.00 175.10 174.84 2kh2 s ALA 59 N -3.63 2.69 -0.20 1.32 0.00 -0.47 0.02 121.76 121.49 2kh2 s ALA 59 Ca 0.37 -1.72 -0.00 0.00 0.00 0.00 0.00 51.96 50.61 2kh2 s ALA 59 Cb 0.04 -0.37 0.05 0.00 0.00 0.00 0.00 23.12 22.85 2kh2 s ALA 59 CO 0.19 0.37 -0.04 -0.51 0.00 0.00 0.00 175.76 175.77 2kh2 s LEU 60 N -3.06 1.91 0.14 0.00 1.43 -1.26 -2.86 118.68 114.98 2kh2 s LEU 60 Ca 0.25 -0.89 0.03 0.00 -1.03 0.00 0.00 54.13 52.49 2kh2 s LEU 60 Cb -0.07 -0.96 -0.04 0.00 0.03 0.00 0.00 46.19 45.14 2kh2 s LEU 60 CO 0.13 -0.22 -0.05 -0.83 0.23 0.00 0.00 176.35 175.60 2kh2 s GLY 61 N 1.58 1.03 0.32 -3.19 0.00 -1.09 -1.48 107.32 104.49 2kh2 s GLY 61 Ca -0.02 -1.48 -0.27 0.00 0.00 0.00 0.00 44.72 42.94 2kh2 s GLY 61 CO -0.07 -1.53 1.05 1.08 0.00 0.00 0.00 173.10 173.63 2kh2 s LEU 62 N -3.13 4.40 -0.14 0.66 1.02 -0.48 -0.38 118.68 120.62 2kh2 s LEU 62 Ca 0.18 2.12 -0.37 0.00 0.02 0.00 0.00 54.13 56.08 2kh2 s LEU 62 Cb 0.05 -3.85 -0.14 0.00 0.02 0.00 0.00 46.19 42.27 2kh2 s LEU 62 CO -0.00 -0.23 1.78 1.17 0.02 0.00 0.00 176.35 179.09 2kh2 n LYS 63 N 0.72 1.69 -3.22 1.70 4.81 -0.92 -1.65 118.16 121.29 2kh2 n LYS 63 Ca 0.01 0.62 -0.20 0.00 -0.87 0.00 0.00 58.31 57.87 2kh2 n LYS 63 Cb 0.47 -2.38 -0.01 0.00 0.02 0.00 0.00 35.03 33.13 2kh2 n LYS 63 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2kh2 n GLU 64 N 5.70 -2.98 -4.38 1.64 0.00 -1.26 -4.95 120.64 114.40 2kh2 n GLU 64 Ca 0.24 0.41 -0.20 0.00 0.00 0.00 0.00 57.16 57.61 2kh2 n GLU 64 Cb 0.22 -5.07 -0.10 0.00 0.00 0.00 0.00 31.44 26.49 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2kh2 s LYS 65 N -5.84 1.43 0.00 3.44 1.02 -0.66 -5.02 119.74 114.11 2kh2 s LYS 65 Ca 0.33 -1.67 0.19 0.00 0.02 0.00 0.00 55.97 54.83 2kh2 s LYS 65 Cb -0.18 -1.17 0.63 0.00 -0.52 0.00 0.00 37.83 36.59 2kh2 s LYS 65 CO 0.40 0.14 1.47 0.27 -0.92 0.00 0.00 175.35 176.72 2kh2 n ASN 66 N -0.47 1.86 -4.58 2.83 0.23 -1.26 -4.61 115.26 109.26 2kh2 n ASN 66 Ca -0.07 -1.80 -0.41 0.00 -0.53 0.00 0.00 54.58 51.77 2kh2 n ASN 66 Cb 0.61 -0.15 -0.07 0.00 -2.08 0.00 0.00 39.78 38.09 2kh2 n ASN 66 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2kh2 s LEU 67 N -1.42 4.25 0.15 -4.53 1.43 -1.26 -0.98 118.68 116.31 2kh2 s LEU 67 Ca 0.31 0.16 0.11 0.00 -1.03 0.00 0.00 54.13 53.68 2kh2 s LEU 67 Cb 0.17 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 2kh2 s LEU 67 CO 0.24 -0.49 -0.24 -0.31 0.23 0.00 0.00 176.35 175.78 2kh2 s TYR 68 N 2.50 2.20 -0.23 0.29 1.51 -0.37 -1.38 117.35 121.88 2kh2 s TYR 68 Ca 0.22 -0.38 -0.29 0.00 -1.01 0.00 0.00 57.07 55.60 2kh2 s TYR 68 Cb -0.15 -1.15 -0.00 0.00 -0.11 0.00 0.00 41.96 40.55 2kh2 s TYR 68 CO 0.13 0.38 1.25 -0.51 -1.11 0.00 0.00 175.55 175.68 2kh2 s LEU 69 N -2.31 4.05 -0.09 -1.29 1.43 -0.55 -0.64 118.68 119.29 2kh2 s LEU 69 Ca 0.16 1.45 0.02 0.00 -1.03 0.00 0.00 54.13 54.73 2kh2 s LEU 69 Cb -0.09 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 2kh2 s LEU 69 CO 0.07 -0.88 -0.15 -0.55 0.23 0.00 0.00 176.35 175.08 2kh2 s SER 70 N 2.18 3.92 -0.32 2.29 0.15 0.77 -4.51 113.70 118.18 2kh2 s SER 70 Ca 0.54 -0.29 -0.08 0.00 0.70 0.00 0.00 55.95 56.82 2kh2 s SER 70 Cb -0.19 -1.19 0.01 0.00 -1.71 0.00 0.00 66.02 62.94 2kh2 s SER 70 CO 0.17 0.26 0.13 0.00 1.20 0.00 0.00 173.24 174.99 2kh2 s VAL 72 N 1.54 0.00 -0.25 0.00 -7.23 -0.64 -4.67 120.40 109.15 2kh2 s VAL 72 Ca 0.03 -1.95 -0.13 0.00 -1.81 0.00 0.00 61.98 58.12 2kh2 s VAL 72 Cb -0.18 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 2kh2 s VAL 72 CO 0.04 0.00 0.26 -0.76 -0.31 0.00 0.00 175.10 174.34 2kh2 s LEU 73 N -3.20 4.09 -0.20 1.32 1.43 -1.26 0.16 118.68 121.01 2kh2 s LEU 73 Ca 0.38 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.70 2kh2 s LEU 73 Cb 0.05 -2.27 0.04 0.00 0.03 0.00 0.00 46.19 44.05 2kh2 s LEU 73 CO 0.16 -0.05 -0.11 -0.54 0.23 0.00 0.00 176.35 176.04 2kh2 s LYS 74 N 1.49 2.11 -1.12 1.70 1.02 0.12 -4.77 119.74 120.29 2kh2 s LYS 74 Ca 0.12 -0.88 -0.07 0.00 0.02 0.00 0.00 55.97 55.15 2kh2 s LYS 74 Cb -0.15 -2.46 -0.04 0.00 -0.52 0.00 0.00 37.83 34.66 2kh2 s LYS 74 CO 0.08 -0.42 0.88 -3.47 -0.92 0.00 0.00 175.35 171.50 2kh2 n ASP 75 N 4.66 -4.95 -0.95 2.83 -0.08 -1.26 -2.18 116.55 114.62 2kh2 n ASP 75 Ca -0.15 -0.77 -0.12 0.00 -1.51 0.00 0.00 54.79 52.24 2kh2 n ASP 75 Cb 0.46 -4.70 -0.05 0.00 2.34 0.00 0.00 41.12 39.17 2kh2 n ASP 75 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2kh2 n ASP 76 N -3.08 -5.45 -3.88 1.67 -0.08 -1.26 -4.95 116.55 99.51 2kh2 n ASP 76 Ca -0.14 0.30 -0.21 0.00 -1.51 0.00 0.00 54.79 53.23 2kh2 n ASP 76 Cb 0.63 -4.14 -0.16 0.00 2.34 0.00 0.00 41.12 39.78 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2kh2 s LYS 77 N -2.98 0.85 0.02 -0.67 2.47 -0.93 -5.11 119.74 113.39 2kh2 s LYS 77 Ca 0.00 -0.09 -0.30 0.00 -1.56 0.00 0.00 55.97 54.01 2kh2 s LYS 77 Cb 0.00 -0.89 -0.07 0.00 -1.46 0.00 0.00 37.83 35.41 2kh2 s LYS 77 CO 0.00 -0.11 1.64 -2.14 0.16 0.00 0.00 175.35 174.90 2kh2 s PRO 78 N 1.04 4.20 0.08 4.03 0.02 -1.26 0.12 135.00 143.22 2kh2 s PRO 78 Ca -0.09 2.26 0.01 0.00 0.02 0.00 0.00 61.00 63.20 2kh2 s PRO 78 Cb -0.14 -3.74 -0.04 0.00 0.02 0.00 0.00 34.50 30.60 2kh2 s PRO 78 CO -0.01 -0.76 -0.06 0.99 -0.33 0.00 0.00 177.00 176.84 2kh2 s THR 79 N 3.11 0.54 0.04 0.99 2.01 0.12 -4.64 115.64 117.82 2kh2 s THR 79 Ca 0.73 -1.78 -0.06 0.00 0.31 0.00 0.00 61.69 60.89 2kh2 s THR 79 Cb -0.37 -1.48 -0.05 0.00 0.01 0.00 0.00 72.50 70.61 2kh2 s THR 79 CO 0.31 -0.84 0.30 -0.22 -0.69 0.00 0.00 174.62 173.48 2kh2 s LEU 80 N -2.81 4.35 0.12 4.42 2.96 -1.26 -1.61 118.68 124.84 2kh2 s LEU 80 Ca 0.07 0.56 -0.09 0.00 -0.22 0.00 0.00 54.13 54.46 2kh2 s LEU 80 Cb 0.04 -2.85 -0.00 0.00 0.50 0.00 0.00 46.19 43.88 2kh2 s LEU 80 CO -0.05 0.20 0.23 0.00 -1.32 0.00 0.00 176.35 175.41 2kh2 s GLN 81 N -2.01 0.96 -0.41 1.98 -2.07 0.38 -4.95 119.66 113.55 2kh2 s GLN 81 Ca 0.31 -1.03 -0.17 0.00 -1.82 0.00 0.00 55.36 52.65 2kh2 s GLN 81 Cb -0.13 0.36 0.02 0.00 -1.09 0.00 0.00 33.01 32.16 2kh2 s GLN 81 CO 0.19 -0.33 0.45 -0.51 -1.32 0.00 0.00 175.29 173.77 2kh2 s LEU 82 N -2.90 4.74 -0.16 2.60 2.01 -1.26 -0.17 118.68 123.54 2kh2 s LEU 82 Ca 0.09 -0.55 -0.07 0.00 0.01 0.00 0.00 54.13 53.62 2kh2 s LEU 82 Cb 0.04 -2.43 -0.04 0.00 0.01 0.00 0.00 46.19 43.78 2kh2 s LEU 82 CO -0.07 -0.56 0.06 -0.70 1.01 0.00 0.00 176.35 176.09 2kh2 s GLU 83 N 2.20 3.80 -0.49 1.70 2.12 0.19 -4.88 118.70 123.34 2kh2 s GLU 83 Ca 0.13 -0.33 -0.26 0.00 0.36 0.00 0.00 54.97 54.87 2kh2 s GLU 83 Cb -0.17 -3.15 0.03 0.00 0.26 0.00 0.00 34.13 31.10 2kh2 s GLU 83 CO 0.14 0.37 0.98 -1.12 -0.54 0.00 0.00 175.26 175.09 2kh2 s SER 84 N 0.08 6.48 0.10 -1.70 0.01 -1.26 -1.23 113.70 116.17 2kh2 s SER 84 Ca 0.05 0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.40 2kh2 s SER 84 Cb -0.12 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 2kh2 s SER 84 CO 0.01 -1.15 0.17 0.68 0.41 0.00 0.00 173.24 173.36 2kh2 s VAL 85 N 4.00 4.98 -0.23 3.43 -7.23 -0.15 -5.03 120.40 120.16 2kh2 s VAL 85 Ca 0.38 -0.67 -0.32 0.00 -1.81 0.00 0.00 61.98 59.55 2kh2 s VAL 85 Cb -0.10 -3.46 -0.09 0.00 0.56 0.00 0.00 36.38 33.29 2kh2 s VAL 85 CO 0.26 0.05 2.12 -0.67 -0.31 0.00 0.00 175.10 176.55 2kh2 n ASP 86 N 0.08 2.89 0.29 4.85 4.64 -1.26 -4.79 116.55 123.25 2kh2 n ASP 86 Ca -0.07 0.49 0.16 0.00 -1.38 0.00 0.00 54.79 53.99 2kh2 n ASP 86 Cb 0.52 -1.40 0.89 0.00 -1.04 0.00 0.00 41.12 40.10 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 12.49 0.00 0.00 -0.67 0.13 -1.93 -1.66 132.00 140.35 2kh2 h PRO 87 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2kh2 h PRO 87 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2kh2 h PRO 87 CO 0.98 0.05 -0.82 1.57 -0.23 0.00 0.00 178.00 179.55 2kh2 h LYS 88 N 0.00 0.00 -0.24 0.86 2.10 -2.02 -3.33 116.57 113.94 2kh2 h LYS 88 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kh2 h LYS 88 Cb 0.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 2kh2 h LYS 88 CO 0.01 0.00 0.00 -1.71 -2.00 0.00 0.00 179.45 175.75 2kh2 n ASN 89 N -2.50 2.68 -4.12 7.07 5.15 -0.83 -4.98 115.26 117.72 2kh2 n ASN 89 Ca 0.01 -1.81 -0.16 0.00 -0.60 0.00 0.00 54.58 52.02 2kh2 n ASN 89 Cb 0.51 -0.16 -0.12 0.00 -0.53 0.00 0.00 39.78 39.48 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 -1.05 0.99 0.35 1.20 1.51 -0.69 -4.61 117.35 115.05 2kh2 s TYR 90 Ca 0.23 -0.46 -0.00 0.00 -1.01 0.00 0.00 57.07 55.82 2kh2 s TYR 90 Cb 0.13 -0.57 0.07 0.00 -0.11 0.00 0.00 41.96 41.48 2kh2 s TYR 90 CO 0.18 0.00 0.48 -0.35 -1.11 0.00 0.00 175.55 174.75 2kh2 n PRO 91 N 1.42 0.26 -3.93 -1.71 -0.04 -1.26 -4.80 135.00 124.95 2kh2 n PRO 91 Ca -0.21 -1.29 -0.09 0.00 -0.04 0.00 0.00 63.50 61.86 2kh2 n PRO 91 Cb 0.54 -0.32 -0.07 0.00 -0.04 0.00 0.00 33.50 33.62 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 -3.68 1.17 0.13 0.54 -2.85 -1.26 -5.07 119.74 108.72 2kh2 s LYS 92 Ca 0.32 -1.12 -0.09 0.00 -1.00 0.00 0.00 55.97 54.07 2kh2 s LYS 92 Cb -0.02 0.39 -0.09 0.00 -2.06 0.00 0.00 37.83 36.06 2kh2 s LYS 92 CO 0.21 -0.44 1.34 -0.22 0.10 0.00 0.00 175.35 176.34 2kh2 h LYS 93 N 2.51 0.66 -3.65 1.78 3.64 -1.96 -3.37 116.57 116.18 2kh2 h LYS 93 Ca -0.31 -0.55 -0.79 0.00 -1.27 0.00 0.00 60.65 57.72 2kh2 h LYS 93 Cb 1.23 0.12 -0.28 0.00 -0.41 0.00 0.00 32.23 32.89 2kh2 h LYS 93 CO 0.47 1.17 0.29 0.21 -2.27 0.00 0.00 179.45 179.32 2kh2 s LYS 94 N -3.68 3.93 0.78 1.90 2.47 -1.26 -1.08 119.74 122.80 2kh2 s LYS 94 Ca -0.09 -2.95 -0.10 0.00 -1.56 0.00 0.00 55.97 51.28 2kh2 s LYS 94 Cb 0.09 -4.48 0.08 0.00 -1.46 0.00 0.00 37.83 32.06 2kh2 s LYS 94 CO 0.89 -1.26 1.13 -1.64 0.16 0.00 0.00 175.35 174.62 2kh2 s MET 95 N -0.75 2.00 0.69 4.03 -1.94 -1.26 -5.04 119.30 117.03 2kh2 s MET 95 Ca 0.26 -0.04 -0.15 0.00 -1.71 0.00 0.00 55.69 54.05 2kh2 s MET 95 Cb -0.10 -2.03 0.02 0.00 2.01 0.00 0.00 34.83 34.73 2kh2 s MET 95 CO -0.08 -1.50 1.15 -1.21 -0.01 0.00 0.00 175.02 173.37 2kh2 s GLU 96 N -5.47 2.54 0.54 2.03 8.01 -1.26 -4.85 118.70 120.23 2kh2 s GLU 96 Ca 0.62 1.53 0.21 0.00 0.01 0.00 0.00 54.97 57.34 2kh2 s GLU 96 Cb -0.11 -1.91 1.39 0.00 -4.31 0.00 0.00 34.13 29.20 2kh2 s GLU 96 CO 0.48 -1.48 2.10 -0.22 0.01 0.00 0.00 175.26 176.14 2kh2 h LYS 97 N -0.10 0.00 0.00 1.61 1.63 -1.96 0.37 116.57 118.12 2kh2 h LYS 97 Ca -0.47 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 2kh2 h LYS 97 Cb 1.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 2kh2 h LYS 97 CO 0.52 0.00 0.00 2.89 -3.45 0.00 0.00 179.45 179.41 2kh2 n ARG 98 N -4.36 0.21 0.00 1.90 1.85 -1.26 -3.07 116.66 111.94 2kh2 n ARG 98 Ca 0.02 0.01 0.05 0.00 -1.00 0.00 0.00 57.85 56.93 2kh2 n ARG 98 Cb 0.29 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 30.23 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 -1.39 0.00 -3.44 2.89 3.72 0.09 -1.52 117.46 117.81 2kh2 n PHE 99 Ca 0.10 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.12 2kh2 n PHE 99 Cb 0.28 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.72 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 -0.89 5.21 0.07 -4.37 1.01 -1.01 -4.22 120.40 116.20 2kh2 s VAL 100 Ca 0.10 0.47 0.06 0.00 0.00 0.00 0.00 61.98 62.61 2kh2 s VAL 100 Cb 0.08 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2kh2 s VAL 100 CO 0.14 0.18 -0.07 -0.36 0.00 0.00 0.00 175.10 174.99 2kh2 s PHE 101 N 1.99 2.82 -0.44 5.22 0.40 0.10 -1.94 117.98 126.13 2kh2 s PHE 101 Ca 0.13 -0.10 -0.12 0.00 -0.60 0.00 0.00 56.93 56.24 2kh2 s PHE 101 Cb -0.16 -1.50 0.08 0.00 0.51 0.00 0.00 43.02 41.95 2kh2 s PHE 101 CO 0.10 0.42 0.32 -0.80 0.70 0.00 0.00 175.22 175.96 2kh2 s ASN 102 N -2.00 5.86 -0.53 1.36 0.02 0.29 -1.10 114.94 118.84 2kh2 s ASN 102 Ca 0.21 -1.45 -0.28 0.00 -1.02 0.00 0.00 52.86 50.33 2kh2 s ASN 102 Cb -0.11 -2.07 0.03 0.00 0.02 0.00 0.00 41.25 39.12 2kh2 s ASN 102 CO 0.13 -0.59 1.12 -0.75 0.02 0.00 0.00 177.10 177.02 2kh2 s LYS 103 N 1.51 3.57 -0.01 -0.60 2.20 0.05 -1.13 119.74 125.33 2kh2 s LYS 103 Ca 0.03 0.29 -0.23 0.00 -0.36 0.00 0.00 55.97 55.70 2kh2 s LYS 103 Cb -0.24 -3.97 -0.05 0.00 -1.51 0.00 0.00 37.83 32.06 2kh2 s LYS 103 CO 0.04 -1.50 0.70 0.42 -0.36 0.00 0.00 175.35 174.65 2kh2 s ILE 104 N 4.54 4.89 -0.93 5.43 1.01 0.87 -0.71 121.20 136.29 2kh2 s ILE 104 Ca 0.43 1.47 -0.02 0.00 0.00 0.00 0.00 60.65 62.53 2kh2 s ILE 104 Cb -0.08 -4.04 0.26 0.00 0.01 0.00 0.00 42.46 38.60 2kh2 s ILE 104 CO 0.27 0.34 1.02 -0.62 0.00 0.00 0.00 174.94 175.94 2kh2 n GLU 105 N 3.14 3.25 0.00 2.79 -0.58 0.81 -1.76 120.64 128.28 2kh2 n GLU 105 Ca -0.03 -4.54 0.00 0.00 -0.42 0.00 0.00 57.16 52.17 2kh2 n GLU 105 Cb 0.51 -2.43 0.00 0.00 -0.57 0.00 0.00 31.44 28.95 2kh2 n GLU 105 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2kh2 n ILE 106 N 1.79 0.00 0.00 -3.67 5.41 -1.22 -4.88 119.36 116.79 2kh2 n ILE 106 Ca 0.25 0.77 0.00 0.00 1.00 0.00 0.00 62.75 64.77 2kh2 n ILE 106 Cb 0.37 -1.57 0.00 0.00 -0.71 0.00 0.00 39.64 37.73 2kh2 n ILE 106 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 2kh2 n ASN 107 N -0.47 0.00 -0.09 4.38 0.23 -1.26 -4.96 115.26 113.09 2kh2 n ASN 107 Ca 0.00 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.18 2kh2 n ASN 107 Cb 0.00 0.00 0.47 0.00 -2.08 0.00 0.00 39.78 38.17 2kh2 n ASN 107 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2kh2 n ASN 108 N 0.00 0.49 -4.27 0.53 2.85 -1.26 -4.83 115.26 108.77 2kh2 n ASN 108 Ca 0.00 -0.35 -0.20 0.00 -0.11 0.00 0.00 54.58 53.92 2kh2 n ASN 108 Cb 0.00 -0.02 -0.11 0.00 1.24 0.00 0.00 39.78 40.88 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2kh2 s LYS 109 N -2.72 1.09 0.13 1.20 -0.14 -1.26 -4.93 119.74 113.12 2kh2 s LYS 109 Ca 0.21 -1.25 0.09 0.00 -1.36 0.00 0.00 55.97 53.66 2kh2 s LYS 109 Cb 0.19 -1.09 -0.04 0.00 -1.68 0.00 0.00 37.83 35.21 2kh2 s LYS 109 CO 0.55 0.22 -0.22 -0.48 -0.76 0.00 0.00 175.35 174.67 2kh2 s LEU 110 N -2.37 2.35 0.18 3.17 2.34 -0.20 -3.44 118.68 120.72 2kh2 s LEU 110 Ca 0.09 -0.76 0.11 0.00 0.06 0.00 0.00 54.13 53.63 2kh2 s LEU 110 Cb -0.06 -0.97 -0.04 0.00 -0.56 0.00 0.00 46.19 44.56 2kh2 s LEU 110 CO 0.04 0.07 -0.21 -1.61 -1.06 0.00 0.00 176.35 173.58 2kh2 s GLU 111 N -2.25 1.64 -0.35 1.48 2.02 -0.72 0.22 118.70 120.74 2kh2 s GLU 111 Ca 0.12 -1.42 0.02 0.00 0.02 0.00 0.00 54.97 53.71 2kh2 s GLU 111 Cb -0.09 -1.94 0.10 0.00 0.10 0.00 0.00 34.13 32.30 2kh2 s GLU 111 CO 0.06 0.42 0.08 -0.06 0.02 0.00 0.00 175.26 175.78 2kh2 s PHE 112 N -1.56 3.70 0.05 1.61 0.08 -1.26 -0.09 117.98 120.51 2kh2 s PHE 112 Ca 0.21 -2.82 -0.10 0.00 0.12 0.00 0.00 56.93 54.34 2kh2 s PHE 112 Cb -0.09 -2.96 -0.06 0.00 -0.57 0.00 0.00 43.02 39.34 2kh2 s PHE 112 CO 0.11 -0.95 0.38 -2.00 -0.10 0.00 0.00 175.22 172.65 2kh2 s GLU 113 N 0.97 3.75 0.03 0.44 2.12 -0.28 -1.82 118.70 123.92 2kh2 s GLU 113 Ca 0.09 0.17 -0.26 0.00 0.36 0.00 0.00 54.97 55.34 2kh2 s GLU 113 Cb -0.20 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.10 2kh2 s GLU 113 CO -0.07 0.60 0.81 0.45 -0.54 0.00 0.00 175.26 176.51 2kh2 s SER 114 N -1.63 7.24 0.19 -1.70 0.15 0.47 0.11 113.70 118.52 2kh2 s SER 114 Ca 0.30 1.48 -0.03 0.00 0.70 0.00 0.00 55.95 58.41 2kh2 s SER 114 Cb -0.14 -2.49 0.10 0.00 -1.71 0.00 0.00 66.02 61.78 2kh2 s SER 114 CO 0.17 -0.06 1.48 0.00 1.20 0.00 0.00 173.24 176.03 2kh2 h ALA 115 N 6.00 0.67 -0.84 5.45 0.00 -1.61 -3.03 119.26 125.89 2kh2 h ALA 115 Ca -0.43 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 53.90 2kh2 h ALA 115 Cb 1.21 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2kh2 h ALA 115 CO 0.72 0.71 0.38 0.37 0.00 0.00 0.00 179.25 181.43 2kh2 h GLN 116 N 0.38 1.23 -3.28 0.00 5.75 -1.74 -3.37 115.11 114.07 2kh2 h GLN 116 Ca -0.01 -0.19 -0.61 0.00 -0.15 0.00 0.00 58.65 57.69 2kh2 h GLN 116 Cb 1.16 -0.21 -0.40 0.00 1.07 0.00 0.00 27.48 29.09 2kh2 h GLN 116 CO 0.11 0.96 -0.73 -0.06 -2.65 0.00 0.00 178.83 176.45 2kh2 s PHE 117 N -5.65 2.13 0.48 3.99 0.08 -1.16 -5.07 117.98 112.78 2kh2 s PHE 117 Ca -0.12 -2.35 -0.24 0.00 0.12 0.00 0.00 56.93 54.33 2kh2 s PHE 117 Cb 0.16 -1.98 -0.07 0.00 -0.57 0.00 0.00 43.02 40.55 2kh2 s PHE 117 CO 0.84 -0.82 1.35 -2.30 -0.10 0.00 0.00 175.22 174.20 2kh2 n PRO 118 N 3.88 1.95 -0.93 0.24 -0.02 -1.16 -2.08 135.00 136.89 2kh2 n PRO 118 Ca 0.05 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2kh2 n PRO 118 Cb 0.37 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 2kh2 n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2kh2 n ASN 119 N -0.38 -1.16 -4.28 2.55 5.03 -1.26 -4.98 115.26 110.78 2kh2 n ASN 119 Ca 0.07 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.15 2kh2 n ASN 119 Cb 0.42 -0.73 -0.13 0.00 -1.02 0.00 0.00 39.78 38.32 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2kh2 s TRP 120 N -2.85 3.20 0.29 3.10 0.52 -0.88 -4.31 118.94 118.01 2kh2 s TRP 120 Ca 0.00 -1.34 0.11 0.00 0.02 0.00 0.00 56.10 54.88 2kh2 s TRP 120 Cb 0.00 -2.23 -0.05 0.00 -1.15 0.00 0.00 33.47 30.04 2kh2 s TRP 120 CO 0.00 -0.69 -0.10 0.71 0.02 0.00 0.00 176.95 176.89 2kh2 s TYR 121 N 1.41 2.45 -0.02 -1.98 1.51 0.64 -0.40 117.35 120.97 2kh2 s TYR 121 Ca -0.01 -0.34 -0.30 0.00 -1.01 0.00 0.00 57.07 55.42 2kh2 s TYR 121 Cb -0.19 -1.17 -0.06 0.00 -0.11 0.00 0.00 41.96 40.43 2kh2 s TYR 121 CO 0.02 0.64 1.65 0.42 -1.11 0.00 0.00 175.55 177.16 2kh2 s ILE 122 N -2.47 3.47 0.20 2.71 1.01 -0.75 -0.41 121.20 124.95 2kh2 s ILE 122 Ca 0.31 0.66 0.10 0.00 0.00 0.00 0.00 60.65 61.73 2kh2 s ILE 122 Cb -0.04 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 2kh2 s ILE 122 CO 0.17 -0.04 -0.21 -0.44 0.00 0.00 0.00 174.94 174.42 2kh2 s SER 123 N 3.12 3.17 0.02 3.58 0.01 0.21 -4.33 113.70 119.49 2kh2 s SER 123 Ca 0.74 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2kh2 s SER 123 Cb -0.35 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.64 2kh2 s SER 123 CO 0.30 0.04 -0.03 0.42 0.41 0.00 0.00 173.24 174.38 2kh2 s THR 124 N -2.05 0.18 0.65 1.44 -4.23 -0.38 -2.69 115.64 108.57 2kh2 s THR 124 Ca 0.21 -0.78 -0.06 0.00 -1.18 0.00 0.00 61.69 59.88 2kh2 s THR 124 Cb -0.06 -0.28 0.04 0.00 1.34 0.00 0.00 72.50 73.53 2kh2 s THR 124 CO 0.10 -0.39 0.96 -0.44 -0.54 0.00 0.00 174.62 174.31 2kh2 s SER 125 N -1.22 5.18 0.35 3.99 0.01 -1.26 0.28 113.70 121.04 2kh2 s SER 125 Ca -0.12 0.58 0.18 0.00 1.31 0.00 0.00 55.95 57.90 2kh2 s SER 125 Cb -0.08 -1.38 0.52 0.00 0.21 0.00 0.00 66.02 65.28 2kh2 s SER 125 CO -0.01 -1.35 1.65 1.56 0.41 0.00 0.00 173.24 175.51 2kh2 h GLN 126 N -0.40 0.00 -7.24 12.44 1.08 -1.98 -3.46 115.11 115.55 2kh2 h GLN 126 Ca -0.45 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.24 2kh2 h GLN 126 Cb 1.29 0.00 0.13 0.00 -0.05 0.00 0.00 27.48 28.85 2kh2 h GLN 126 CO 0.60 0.39 0.34 0.00 -0.95 0.00 0.00 178.83 179.21 2kh2 s ALA 127 N -3.40 2.20 0.17 3.87 0.00 -1.26 -5.02 121.76 118.32 2kh2 s ALA 127 Ca 0.01 0.53 -0.16 0.00 0.00 0.00 0.00 51.96 52.34 2kh2 s ALA 127 Cb 0.10 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.79 2kh2 s ALA 127 CO 0.70 -1.75 0.60 -2.00 0.00 0.00 0.00 175.76 173.31 2kh2 s GLU 128 N -4.39 4.07 -0.91 0.00 2.56 -1.26 -4.11 118.70 114.65 2kh2 s GLU 128 Ca 0.66 0.61 -0.01 0.00 0.00 0.00 0.00 54.97 56.24 2kh2 s GLU 128 Cb -0.21 -2.92 0.00 0.00 2.00 0.00 0.00 34.13 33.00 2kh2 s GLU 128 CO 0.49 0.45 0.15 -1.71 -0.56 0.00 0.00 175.26 174.09 2kh2 n ASN 129 N 0.79 -3.84 -4.85 -1.70 5.15 -1.10 -5.01 115.26 104.70 2kh2 n ASN 129 Ca -0.04 -0.08 -0.37 0.00 -0.60 0.00 0.00 54.58 53.48 2kh2 n ASN 129 Cb 0.52 -2.91 -0.06 0.00 -0.53 0.00 0.00 39.78 36.80 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 -4.84 3.76 1.04 1.20 -1.94 -1.16 -4.83 119.30 112.53 2kh2 s MET 130 Ca 0.08 0.22 -0.13 0.00 -1.71 0.00 0.00 55.69 54.15 2kh2 s MET 130 Cb -0.03 -3.19 0.21 0.00 2.01 0.00 0.00 34.83 33.82 2kh2 s MET 130 CO 0.10 0.71 1.10 -2.14 -0.01 0.00 0.00 175.02 174.77 2kh2 s PRO 131 N -1.14 0.12 -0.15 2.03 0.02 -1.26 0.04 135.00 134.67 2kh2 s PRO 131 Ca 0.22 0.40 -0.13 0.00 0.02 0.00 0.00 61.00 61.51 2kh2 s PRO 131 Cb -0.15 -1.71 -0.05 0.00 0.02 0.00 0.00 34.50 32.61 2kh2 s PRO 131 CO 0.11 -2.91 0.27 0.08 -0.33 0.00 0.00 177.00 174.22 2kh2 s VAL 132 N -2.98 5.31 0.24 3.83 1.01 -0.38 -4.67 120.40 122.76 2kh2 s VAL 132 Ca 0.66 0.50 0.01 0.00 0.00 0.00 0.00 61.98 63.16 2kh2 s VAL 132 Cb -0.17 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2kh2 s VAL 132 CO 0.57 0.43 0.19 0.72 0.00 0.00 0.00 175.10 177.01 2kh2 s PHE 133 N 0.22 1.32 -0.17 5.22 -0.12 -1.09 -4.84 117.98 118.51 2kh2 s PHE 133 Ca 0.16 -1.45 -0.13 0.00 -0.05 0.00 0.00 56.93 55.46 2kh2 s PHE 133 Cb -0.13 -0.58 -0.05 0.00 -0.63 0.00 0.00 43.02 41.63 2kh2 s PHE 133 CO 0.04 -0.72 0.28 -1.17 -0.05 0.00 0.00 175.22 173.59 2kh2 s LEU 134 N -3.22 4.22 0.12 -1.99 2.96 -1.26 -0.62 118.68 118.89 2kh2 s LEU 134 Ca 0.39 0.45 0.07 0.00 -0.22 0.00 0.00 54.13 54.82 2kh2 s LEU 134 Cb 0.05 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 2kh2 s LEU 134 CO 0.17 0.09 -0.17 -0.83 -1.32 0.00 0.00 176.35 174.28 2kh2 s GLY 135 N 0.56 1.16 -0.14 7.98 0.00 0.45 -4.86 107.32 112.47 2kh2 s GLY 135 Ca 0.15 -1.27 0.17 0.00 0.00 0.00 0.00 44.72 43.77 2kh2 s GLY 135 CO 0.04 -1.30 1.16 0.61 0.00 0.00 0.00 173.10 173.60 2kh2 n GLY 136 N 0.78 4.80 2.85 0.20 0.00 -1.26 -0.26 105.19 112.30 2kh2 n GLY 136 Ca -0.17 -1.14 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 2kh2 n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kh2 s THR 137 N -2.86 2.30 0.21 2.61 2.01 -1.26 -4.92 115.64 113.73 2kh2 s THR 137 Ca 0.32 -3.42 -0.30 0.00 0.31 0.00 0.00 61.69 58.60 2kh2 s THR 137 Cb 0.29 -2.56 -0.08 0.00 0.01 0.00 0.00 72.50 70.16 2kh2 s THR 137 CO 0.01 -0.91 0.97 -0.75 -0.69 0.00 0.00 174.62 173.25 2kh2 s LYS 138 N -0.50 4.78 0.00 4.92 2.20 -1.26 -3.39 119.74 126.49 2kh2 s LYS 138 Ca 0.21 1.53 0.00 0.00 -0.36 0.00 0.00 55.97 57.35 2kh2 s LYS 138 Cb -0.17 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 2kh2 s LYS 138 CO -0.06 0.39 0.00 0.41 -0.36 0.00 0.00 175.35 175.72 2kh2 n GLY 139 N 1.67 0.55 0.00 5.54 0.00 -1.26 -5.02 105.19 106.67 2kh2 n GLY 139 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.82 1.06 0.13 -0.02 0.00 -1.22 -5.03 105.19 97.29 2kh2 n GLY 140 Ca 0.00 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 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 0.22 -6.66 1.61 7.50 -1.96 -3.46 115.11 112.36 2kh2 h GLN 141 Ca 0.00 -0.38 -0.51 0.00 0.50 0.00 0.00 58.65 58.25 2kh2 h GLN 141 Cb 0.00 0.14 0.00 0.00 0.05 0.00 0.00 27.48 27.67 2kh2 h GLN 141 CO 0.00 1.18 0.46 -0.51 -1.50 0.00 0.00 178.83 178.46 2kh2 s ASP 142 N -7.03 7.31 0.02 1.46 1.01 -1.26 -4.51 116.67 113.68 2kh2 s ASP 142 Ca -0.22 2.06 -0.30 0.00 0.71 0.00 0.00 52.55 54.80 2kh2 s ASP 142 Cb 0.05 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 2kh2 s ASP 142 CO 0.75 -0.18 1.09 -0.63 0.21 0.00 0.00 175.17 176.41 2kh2 s ILE 143 N -0.34 4.47 -0.13 0.77 1.09 0.14 -4.64 121.20 122.57 2kh2 s ILE 143 Ca 0.48 1.77 0.10 0.00 -1.10 0.00 0.00 60.65 61.91 2kh2 s ILE 143 Cb -0.29 -4.14 -0.15 0.00 -1.06 0.00 0.00 42.46 36.83 2kh2 s ILE 143 CO 0.35 0.13 0.27 0.35 -0.10 0.00 0.00 174.94 175.94 2kh2 n THR 144 N 3.94 0.00 -3.56 2.92 -2.24 -1.26 -1.24 114.28 112.84 2kh2 n THR 144 Ca 0.08 -0.24 -0.34 0.00 -2.27 0.00 0.00 64.05 61.27 2kh2 n THR 144 Cb 0.49 0.44 -0.05 0.00 -2.10 0.00 0.00 70.33 69.11 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 -2.89 6.63 0.32 3.42 -4.77 -1.26 -4.16 116.67 113.96 2kh2 s ASP 145 Ca -0.02 0.79 0.07 0.00 -3.30 0.00 0.00 52.55 50.10 2kh2 s ASP 145 Cb 0.07 -2.18 -0.03 0.00 -1.09 0.00 0.00 42.92 39.69 2kh2 s ASP 145 CO 0.42 0.13 0.28 0.49 0.70 0.00 0.00 175.17 177.19 2kh2 n PHE 146 N 0.71 -0.78 -3.67 2.11 3.72 0.13 -3.96 117.46 115.73 2kh2 n PHE 146 Ca -0.06 -2.69 -0.12 0.00 -0.05 0.00 0.00 57.45 54.54 2kh2 n PHE 146 Cb 0.52 0.29 0.00 0.00 -0.94 0.00 0.00 39.48 39.35 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 -0.61 0.00 -2.68 4.37 -2.24 -0.18 -1.03 114.28 111.91 2kh2 n THR 147 Ca 0.07 -0.96 -0.09 0.00 -2.27 0.00 0.00 64.05 60.80 2kh2 n THR 147 Cb 0.58 -0.29 0.05 0.00 -2.10 0.00 0.00 70.33 68.56 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 -1.07 1.15 -1.70 -0.78 1.56 -1.26 -4.40 117.12 110.62 2kh2 n MET 148 Ca -0.01 -2.97 -0.42 0.00 -0.27 0.00 0.00 57.70 54.03 2kh2 n MET 148 Cb 0.28 -1.02 -0.03 0.00 2.15 0.00 0.00 33.22 34.60 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 -2.43 3.83 0.10 2.12 1.11 -1.14 -4.79 119.66 118.46 2kh2 s GLN 149 Ca 0.26 2.36 -0.23 0.00 0.01 0.00 0.00 55.36 57.76 2kh2 s GLN 149 Cb 0.44 -4.21 -0.07 0.00 -1.01 0.00 0.00 33.01 28.17 2kh2 s GLN 149 CO 0.01 -1.30 0.70 -0.06 0.01 0.00 0.00 175.29 174.64 2kh2 s PHE 150 N 5.59 3.83 0.51 0.91 0.08 -1.26 -0.30 117.98 127.35 2kh2 s PHE 150 Ca 0.90 1.46 0.08 0.00 0.12 0.00 0.00 56.93 59.49 2kh2 s PHE 150 Cb -0.38 -2.68 0.05 0.00 -0.57 0.00 0.00 43.02 39.43 2kh2 s PHE 150 CO 0.38 0.48 0.70 0.14 -0.10 0.00 0.00 175.22 176.83 2kh2 s VAL 151 N -0.87 2.59 0.00 -0.44 -7.23 -1.13 -4.96 120.40 108.35 2kh2 s VAL 151 Ca 0.34 -0.95 -0.03 0.00 -1.81 0.00 0.00 61.98 59.53 2kh2 s VAL 151 Cb -0.21 -2.64 -0.15 0.00 0.56 0.00 0.00 36.38 33.94 2kh2 s VAL 151 CO 0.23 0.00 2.26 -1.54 -0.31 0.00 0.00 175.10 175.74 2kh2 n SER 152 N -2.11 3.17 0.00 4.85 3.41 -1.26 -4.90 113.62 116.79 2kh2 n SER 152 Ca 0.11 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 2kh2 n SER 152 Cb 0.60 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68