#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 -0.89 -5.53 0.00 0.13 -2.07 -3.44 132.00 120.20 2kh2 h PRO 2 Ca 0.00 0.06 -0.67 0.00 -0.87 0.00 0.00 66.00 64.52 2kh2 h PRO 2 Cb 0.00 0.20 -0.30 0.00 0.13 0.00 0.00 31.00 31.04 2kh2 h PRO 2 CO 0.00 -0.60 -0.83 0.54 -0.23 0.00 0.00 178.00 176.89 2kh2 s VAL 3 N -4.62 2.51 0.18 1.56 0.11 -1.26 -5.08 120.40 113.80 2kh2 s VAL 3 Ca -0.14 -0.87 -0.12 0.00 -2.93 0.00 0.00 61.98 57.93 2kh2 s VAL 3 Cb 0.01 -1.99 -0.07 0.00 -1.53 0.00 0.00 36.38 32.80 2kh2 s VAL 3 CO 0.41 0.55 0.53 0.00 -3.33 0.00 0.00 175.10 173.26 2kh2 s ARG 4 N 0.17 3.87 -0.20 1.54 1.70 -1.26 -5.02 118.95 119.74 2kh2 s ARG 4 Ca -0.11 0.35 -0.18 0.00 -0.47 0.00 0.00 55.73 55.32 2kh2 s ARG 4 Cb -0.16 -2.81 0.05 0.00 -0.57 0.00 0.00 34.95 31.46 2kh2 s ARG 4 CO 0.06 0.41 0.53 -1.12 -1.08 0.00 0.00 175.30 174.11 2kh2 s SER 5 N -2.02 -0.56 0.30 -2.89 0.01 -1.26 -2.79 113.70 104.49 2kh2 s SER 5 Ca 0.42 1.07 0.03 0.00 1.31 0.00 0.00 55.95 58.77 2kh2 s SER 5 Cb -0.13 1.09 -0.04 0.00 0.21 0.00 0.00 66.02 67.14 2kh2 s SER 5 CO 0.20 -0.19 0.13 -1.48 0.41 0.00 0.00 173.24 172.32 2kh2 s LEU 6 N 0.29 1.72 -0.05 2.44 0.05 -1.08 -4.96 118.68 117.10 2kh2 s LEU 6 Ca -0.00 -1.50 0.04 0.00 0.05 0.00 0.00 54.13 52.71 2kh2 s LEU 6 Cb -0.04 0.08 -0.02 0.00 -2.05 0.00 0.00 46.19 44.16 2kh2 s LEU 6 CO 0.01 -0.82 -0.15 0.20 -0.55 0.00 0.00 176.35 175.03 2kh2 s ASN 7 N -3.38 3.96 0.10 1.48 0.01 -1.26 -0.04 114.94 115.82 2kh2 s ASN 7 Ca 0.35 -0.22 -0.09 0.00 -0.71 0.00 0.00 52.86 52.19 2kh2 s ASN 7 Cb 0.06 -0.87 -0.00 0.00 0.41 0.00 0.00 41.25 40.84 2kh2 s ASN 7 CO 0.16 0.33 0.21 0.00 -1.51 0.00 0.00 177.10 176.29 2kh2 s THR 9 N -3.88 3.33 -0.21 0.00 2.01 0.03 -1.70 115.64 115.23 2kh2 s THR 9 Ca 0.07 -0.59 -0.05 0.00 0.31 0.00 0.00 61.69 61.43 2kh2 s THR 9 Cb 0.05 -2.38 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 2kh2 s THR 9 CO -0.09 0.55 0.01 -0.76 -0.69 0.00 0.00 174.62 173.64 2kh2 s LEU 10 N -0.15 3.26 0.02 4.42 1.43 -1.26 -2.14 118.68 124.26 2kh2 s LEU 10 Ca 0.00 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 2kh2 s LEU 10 Cb -0.13 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 2kh2 s LEU 10 CO 0.03 0.05 -0.10 -0.13 0.23 0.00 0.00 176.35 176.43 2kh2 s ARG 11 N 1.10 0.70 0.92 1.70 0.52 -1.25 -4.10 118.95 118.53 2kh2 s ARG 11 Ca 0.03 -0.54 -0.14 0.00 -0.52 0.00 0.00 55.73 54.55 2kh2 s ARG 11 Cb -0.14 -0.64 0.18 0.00 0.52 0.00 0.00 34.95 34.87 2kh2 s ARG 11 CO 0.02 0.16 1.27 0.16 0.02 0.00 0.00 175.30 176.92 2kh2 s ASP 12 N -0.82 3.40 0.12 0.23 1.47 -0.97 -0.45 116.67 119.64 2kh2 s ASP 12 Ca -0.01 0.24 0.14 0.00 1.18 0.00 0.00 52.55 54.10 2kh2 s ASP 12 Cb -0.06 -0.37 0.64 0.00 -0.34 0.00 0.00 42.92 42.80 2kh2 s ASP 12 CO 0.00 -2.54 1.44 -1.54 0.68 0.00 0.00 175.17 173.21 2kh2 n SER 13 N -3.61 0.26 -1.06 2.11 3.41 -1.25 -1.22 113.62 112.26 2kh2 n SER 13 Ca 0.14 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.46 2kh2 n SER 13 Cb 0.60 -0.63 0.25 0.00 -0.26 0.00 0.00 64.21 64.16 2kh2 n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kh2 n GLN 14 N -1.81 2.37 -1.50 4.33 1.13 -1.26 -4.93 117.38 115.71 2kh2 n GLN 14 Ca 0.01 -2.08 -0.10 0.00 -1.94 0.00 0.00 57.00 52.90 2kh2 n GLN 14 Cb 0.11 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 28.94 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 1.28 -0.69 -3.10 -1.09 1.13 -0.36 -4.94 117.38 109.62 2kh2 n GLN 15 Ca 0.19 0.74 -0.33 0.00 -1.94 0.00 0.00 57.00 55.66 2kh2 n GLN 15 Cb 0.55 -4.68 -0.06 0.00 0.11 0.00 0.00 30.24 26.16 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 -3.22 4.07 0.28 -1.09 1.02 -1.26 -3.79 119.74 115.75 2kh2 s LYS 16 Ca 0.00 0.75 0.12 0.00 0.02 0.00 0.00 55.97 56.86 2kh2 s LYS 16 Cb 0.00 -2.48 -0.05 0.00 -0.52 0.00 0.00 37.83 34.78 2kh2 s LYS 16 CO 0.00 0.17 -0.19 -1.12 -0.92 0.00 0.00 175.35 173.30 2kh2 s SER 17 N -2.17 3.65 -0.18 2.83 0.01 0.11 -2.30 113.70 115.65 2kh2 s SER 17 Ca 0.53 -1.01 -0.19 0.00 1.31 0.00 0.00 55.95 56.59 2kh2 s SER 17 Cb -0.11 -0.33 -0.03 0.00 0.21 0.00 0.00 66.02 65.75 2kh2 s SER 17 CO 0.18 0.03 0.54 -0.76 0.41 0.00 0.00 173.24 173.64 2kh2 s LEU 18 N -3.52 4.18 0.15 2.44 1.43 -1.26 -1.04 118.68 121.06 2kh2 s LEU 18 Ca 0.30 0.75 0.10 0.00 -1.03 0.00 0.00 54.13 54.25 2kh2 s LEU 18 Cb -0.05 -2.75 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 2kh2 s LEU 18 CO 0.15 -0.16 -0.23 0.68 0.23 0.00 0.00 176.35 177.03 2kh2 s VAL 19 N 1.45 2.07 -0.50 -1.59 -7.23 0.13 -1.15 120.40 113.58 2kh2 s VAL 19 Ca 0.26 -1.83 -0.29 0.00 -1.81 0.00 0.00 61.98 58.31 2kh2 s VAL 19 Cb -0.16 -1.90 0.03 0.00 0.56 0.00 0.00 36.38 34.91 2kh2 s VAL 19 CO 0.10 -0.10 1.13 -0.04 -0.31 0.00 0.00 175.10 175.89 2kh2 s MET 20 N -2.37 3.67 0.00 4.82 -1.94 -1.26 -0.75 119.30 121.46 2kh2 s MET 20 Ca 0.15 0.47 0.00 0.00 -1.71 0.00 0.00 55.69 54.59 2kh2 s MET 20 Cb -0.08 -3.93 0.00 0.00 2.01 0.00 0.00 34.83 32.82 2kh2 s MET 20 CO 0.07 -1.44 0.07 0.45 -0.01 0.00 0.00 175.02 174.16 2kh2 n SER 21 N 7.92 0.00 -2.70 3.03 2.88 0.05 -4.94 113.62 119.86 2kh2 n SER 21 Ca 0.11 0.07 -0.05 0.00 -1.33 0.00 0.00 58.87 57.67 2kh2 n SER 21 Cb 0.49 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.97 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 1.96 1.43 0.27 0.46 0.00 -1.19 -4.93 105.19 103.19 2kh2 n GLY 22 Ca 0.00 -2.08 0.14 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.39 1.61 0.13 -2.04 -3.08 132.00 128.23 2kh2 h PRO 23 Ca -0.07 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.78 2kh2 h PRO 23 Cb 0.31 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.06 2kh2 h PRO 23 CO 0.09 0.08 -1.02 0.66 -0.23 0.00 0.00 178.00 177.58 2kh2 n TYR 24 N -3.68 1.24 -3.90 1.56 4.02 -1.26 -5.08 117.16 110.07 2kh2 n TYR 24 Ca -0.02 -1.85 -0.11 0.00 -0.01 0.00 0.00 57.90 55.91 2kh2 n TYR 24 Cb 0.19 -0.24 -0.13 0.00 -0.02 0.00 0.00 39.34 39.15 2kh2 n TYR 24 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2kh2 s GLU 25 N -3.10 0.15 0.02 -0.72 2.12 -1.17 -4.58 118.70 111.42 2kh2 s GLU 25 Ca 0.33 -0.18 0.07 0.00 0.36 0.00 0.00 54.97 55.55 2kh2 s GLU 25 Cb 0.35 0.06 -0.02 0.00 0.26 0.00 0.00 34.13 34.78 2kh2 s GLU 25 CO -0.05 -0.03 -0.21 -0.51 -0.54 0.00 0.00 175.26 173.93 2kh2 s LEU 26 N -0.52 2.11 0.14 2.70 1.43 -1.26 -0.77 118.68 122.50 2kh2 s LEU 26 Ca -0.06 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 52.64 2kh2 s LEU 26 Cb -0.04 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 2kh2 s LEU 26 CO -0.00 0.20 -0.11 -0.54 0.23 0.00 0.00 176.35 176.13 2kh2 s LYS 27 N -0.86 1.04 -0.11 1.70 1.02 0.07 -2.08 119.74 120.53 2kh2 s LYS 27 Ca 0.08 -1.36 0.04 0.00 0.02 0.00 0.00 55.97 54.74 2kh2 s LYS 27 Cb -0.08 -0.72 0.00 0.00 -0.52 0.00 0.00 37.83 36.51 2kh2 s LYS 27 CO 0.01 0.11 -0.23 0.00 -0.92 0.00 0.00 175.35 174.32 2kh2 s ALA 28 N -2.85 2.13 0.08 5.17 0.00 0.14 0.20 121.76 126.63 2kh2 s ALA 28 Ca 0.13 -0.96 -0.19 0.00 0.00 0.00 0.00 51.96 50.94 2kh2 s ALA 28 Cb -0.01 -0.84 0.04 0.00 0.00 0.00 0.00 23.12 22.32 2kh2 s ALA 28 CO 0.02 0.20 0.46 -0.48 0.00 0.00 0.00 175.76 175.95 2kh2 s LEU 29 N 0.48 0.17 0.12 0.00 0.05 -0.21 -2.78 118.68 116.51 2kh2 s LEU 29 Ca -0.16 -0.06 -0.34 0.00 0.05 0.00 0.00 54.13 53.62 2kh2 s LEU 29 Cb -0.17 1.97 -0.14 0.00 -2.05 0.00 0.00 46.19 45.80 2kh2 s LEU 29 CO 0.06 -0.78 1.60 1.41 -0.55 0.00 0.00 176.35 178.10 2kh2 n HIS 30 N 0.13 2.23 -3.59 3.48 8.25 -1.26 0.06 115.22 124.52 2kh2 n HIS 30 Ca -0.17 0.26 -0.28 0.00 -0.26 0.00 0.00 57.72 57.26 2kh2 n HIS 30 Cb 0.62 -2.55 -0.12 0.00 1.12 0.00 0.00 29.99 29.06 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 1.29 2.26 -0.08 2.41 2.96 -1.25 -4.84 118.68 121.44 2kh2 s LEU 31 Ca 0.81 -2.83 0.20 0.00 -0.22 0.00 0.00 54.13 52.09 2kh2 s LEU 31 Cb -0.70 -0.81 0.41 0.00 0.50 0.00 0.00 46.19 45.59 2kh2 s LEU 31 CO 0.40 -0.22 1.18 0.00 -1.32 0.00 0.00 176.35 176.39 2kh2 n GLN 32 N 3.24 0.59 0.00 1.98 1.13 -1.26 -4.88 117.38 118.17 2kh2 n GLN 32 Ca 0.17 -2.44 0.00 0.00 -1.94 0.00 0.00 57.00 52.79 2kh2 n GLN 32 Cb 0.39 -0.62 0.00 0.00 0.11 0.00 0.00 30.24 30.12 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 -0.13 6.72 0.15 1.08 0.00 -1.26 -5.01 105.19 106.74 2kh2 n GLY 33 Ca 0.11 -1.87 0.13 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.77 1.61 5.75 -2.02 -2.82 115.11 116.86 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 0.00 0.00 -0.25 -2.65 0.00 0.00 178.83 175.93 2kh2 n ASP 35 N -2.39 0.97 -0.02 -0.69 9.92 -1.26 -4.11 116.55 118.96 2kh2 n ASP 35 Ca 0.02 -2.03 0.03 0.00 -0.53 0.00 0.00 54.79 52.28 2kh2 n ASP 35 Cb 0.27 -0.40 0.38 0.00 -0.64 0.00 0.00 41.12 40.73 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 0.17 0.58 0.00 -1.24 4.05 -1.84 -1.39 114.93 115.26 2kh2 h MET 36 Ca 0.00 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 2kh2 h MET 36 Cb 0.45 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.13 2kh2 h MET 36 CO 0.02 0.43 0.00 0.39 0.23 0.00 0.00 176.91 177.98 2kh2 n GLU 37 N -4.42 0.77 0.00 0.39 -0.58 -1.26 -2.60 120.64 112.94 2kh2 n GLU 37 Ca 0.03 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.90 2kh2 n GLU 37 Cb 0.10 -1.39 0.22 0.00 -0.57 0.00 0.00 31.44 29.81 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 -0.89 1.99 -2.27 3.49 1.13 -0.52 -4.95 117.38 115.37 2kh2 n GLN 38 Ca 0.14 -1.53 -0.41 0.00 -1.94 0.00 0.00 57.00 53.27 2kh2 n GLN 38 Cb 0.07 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 28.92 2kh2 n GLN 38 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 2kh2 s GLN 39 N -2.06 4.48 0.08 -1.09 -2.07 -1.07 -4.55 119.66 113.38 2kh2 s GLN 39 Ca 0.30 2.04 -0.28 0.00 -1.82 0.00 0.00 55.36 55.60 2kh2 s GLN 39 Cb 0.20 -3.12 -0.05 0.00 -1.09 0.00 0.00 33.01 28.94 2kh2 s GLN 39 CO 0.34 -0.02 0.90 0.08 -1.32 0.00 0.00 175.29 175.27 2kh2 s VAL 40 N -1.14 4.60 -0.15 3.63 1.01 -0.30 -5.03 120.40 123.02 2kh2 s VAL 40 Ca 0.47 1.93 -0.05 0.00 0.00 0.00 0.00 61.98 64.33 2kh2 s VAL 40 Cb -0.36 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.73 2kh2 s VAL 40 CO 0.48 0.32 0.01 -0.69 0.00 0.00 0.00 175.10 175.22 2kh2 s VAL 41 N 0.06 4.32 -0.11 2.92 1.01 -1.26 -4.64 120.40 122.69 2kh2 s VAL 41 Ca 0.45 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 2kh2 s VAL 41 Cb -0.22 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 2kh2 s VAL 41 CO 0.27 0.50 0.04 -0.36 0.00 0.00 0.00 175.10 175.55 2kh2 s PHE 42 N 0.15 3.26 -0.24 5.22 0.40 -0.69 -1.70 117.98 124.38 2kh2 s PHE 42 Ca 0.01 0.22 -0.19 0.00 -0.60 0.00 0.00 56.93 56.38 2kh2 s PHE 42 Cb -0.13 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 41.50 2kh2 s PHE 42 CO 0.02 0.45 0.54 -1.12 0.70 0.00 0.00 175.22 175.81 2kh2 s SER 43 N -0.65 6.51 -0.47 1.36 0.01 0.38 -1.51 113.70 119.34 2kh2 s SER 43 Ca 0.11 0.62 -0.19 0.00 1.31 0.00 0.00 55.95 57.80 2kh2 s SER 43 Cb -0.12 -2.30 0.04 0.00 0.21 0.00 0.00 66.02 63.85 2kh2 s SER 43 CO 0.02 -0.27 0.59 -0.04 0.41 0.00 0.00 173.24 173.95 2kh2 s MET 44 N 2.12 3.16 -0.17 12.44 -1.94 0.95 -2.98 119.30 132.88 2kh2 s MET 44 Ca 0.23 -0.72 -0.17 0.00 -1.71 0.00 0.00 55.69 53.32 2kh2 s MET 44 Cb -0.16 -4.03 -0.04 0.00 2.01 0.00 0.00 34.83 32.62 2kh2 s MET 44 CO 0.09 -1.08 0.45 -1.12 -0.01 0.00 0.00 175.02 173.36 2kh2 s SER 45 N 2.30 6.56 -0.44 3.03 0.01 -1.13 -2.62 113.70 121.41 2kh2 s SER 45 Ca 0.16 0.67 -0.29 0.00 1.31 0.00 0.00 55.95 57.80 2kh2 s SER 45 Cb -0.17 -2.27 0.02 0.00 0.21 0.00 0.00 66.02 63.81 2kh2 s SER 45 CO 0.14 -0.07 1.25 -0.36 0.41 0.00 0.00 173.24 174.61 2kh2 s PHE 46 N 1.11 2.66 0.25 2.43 0.40 -1.12 -0.64 117.98 123.07 2kh2 s PHE 46 Ca 0.23 0.72 0.06 0.00 -0.60 0.00 0.00 56.93 57.34 2kh2 s PHE 46 Cb -0.15 -4.35 -0.03 0.00 0.51 0.00 0.00 43.02 39.00 2kh2 s PHE 46 CO 0.09 -1.55 0.30 0.14 0.70 0.00 0.00 175.22 174.89 2kh2 s VAL 47 N 4.82 4.80 -0.58 -0.44 -7.23 -1.18 -4.76 120.40 115.82 2kh2 s VAL 47 Ca 0.53 -1.17 -0.20 0.00 -1.81 0.00 0.00 61.98 59.33 2kh2 s VAL 47 Cb -0.10 -3.62 0.08 0.00 0.56 0.00 0.00 36.38 33.30 2kh2 s VAL 47 CO 0.31 -0.32 0.73 -1.58 -0.31 0.00 0.00 175.10 173.93 2kh2 s GLN 48 N -3.93 3.09 0.00 4.82 2.00 -0.98 -4.73 119.66 119.92 2kh2 s GLN 48 Ca 0.34 -1.09 0.00 0.00 -2.00 0.00 0.00 55.36 52.62 2kh2 s GLN 48 Cb -0.08 -4.21 0.00 0.00 0.80 0.00 0.00 33.01 29.52 2kh2 s GLN 48 CO 0.27 -1.50 0.00 0.41 -0.50 0.00 0.00 175.29 173.98 2kh2 n GLY 49 N 5.25 4.97 3.56 2.59 0.00 -1.26 -4.95 105.19 115.35 2kh2 n GLY 49 Ca -0.07 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 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 3.32 2.88 -0.77 1.61 2.56 -1.26 -4.90 118.70 122.14 2kh2 s GLU 50 Ca 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 54.97 54.61 2kh2 s GLU 50 Cb 0.00 -4.90 0.20 0.00 2.00 0.00 0.00 34.13 31.42 2kh2 s GLU 50 CO 0.00 -2.85 0.65 -2.00 -0.56 0.00 0.00 175.26 170.50 2kh2 s GLU 51 N 6.41 3.12 0.00 4.30 2.12 -1.26 -3.94 118.70 129.46 2kh2 s GLU 51 Ca 0.60 -2.70 0.00 0.00 0.36 0.00 0.00 54.97 53.24 2kh2 s GLU 51 Cb -0.06 -4.04 0.00 0.00 0.26 0.00 0.00 34.13 30.29 2kh2 s GLU 51 CO 0.03 -1.23 0.00 -1.13 -0.54 0.00 0.00 175.26 172.39 2kh2 n SER 52 N 3.37 0.00 0.00 -1.70 3.41 -0.81 -5.04 113.62 112.85 2kh2 n SER 52 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2kh2 n SER 52 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2kh2 n SER 52 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2kh2 n ASN 53 N 0.00 0.00 -0.43 4.04 2.85 -1.26 -4.83 115.26 115.63 2kh2 n ASN 53 Ca 0.00 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.59 2kh2 n ASN 53 Cb 0.00 0.04 0.25 0.00 1.24 0.00 0.00 39.78 41.32 2kh2 n ASN 53 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2kh2 n ASP 54 N -2.12 1.60 -3.76 1.20 5.75 -1.26 -4.77 116.55 113.19 2kh2 n ASP 54 Ca 0.00 -1.28 -0.26 0.00 -0.01 0.00 0.00 54.79 53.24 2kh2 n ASP 54 Cb 0.00 0.21 -0.17 0.00 -1.03 0.00 0.00 41.12 40.13 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 -2.37 0.71 -0.16 0.11 2.20 -1.26 0.08 119.74 119.04 2kh2 s LYS 55 Ca 0.25 -0.27 0.02 0.00 -0.36 0.00 0.00 55.97 55.61 2kh2 s LYS 55 Cb 0.19 -1.76 0.01 0.00 -1.51 0.00 0.00 37.83 34.76 2kh2 s LYS 55 CO 0.49 -0.52 -0.21 0.42 -0.36 0.00 0.00 175.35 175.17 2kh2 s ILE 56 N 1.88 2.12 -0.25 5.43 -1.09 -0.04 -1.92 121.20 127.32 2kh2 s ILE 56 Ca 0.01 -0.94 -0.25 0.00 -2.23 0.00 0.00 60.65 57.24 2kh2 s ILE 56 Cb -0.15 -1.87 -0.00 0.00 -1.58 0.00 0.00 42.46 38.86 2kh2 s ILE 56 CO -0.07 0.54 0.84 -2.16 -1.23 0.00 0.00 174.94 172.86 2kh2 s PRO 57 N 0.99 4.16 0.06 2.79 0.04 -1.25 -0.13 135.00 141.65 2kh2 s PRO 57 Ca -0.03 0.93 -0.04 0.00 0.04 0.00 0.00 61.00 61.91 2kh2 s PRO 57 Cb -0.15 -3.65 -0.02 0.00 0.04 0.00 0.00 34.50 30.71 2kh2 s PRO 57 CO -0.06 -0.55 0.05 0.14 0.04 0.00 0.00 177.00 176.62 2kh2 s VAL 58 N 2.89 0.18 0.17 -0.36 -7.23 -0.34 -3.13 120.40 112.59 2kh2 s VAL 58 Ca 0.35 -1.49 -0.01 0.00 -1.81 0.00 0.00 61.98 59.02 2kh2 s VAL 58 Cb -0.15 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 2kh2 s VAL 58 CO 0.08 -0.82 0.36 0.00 -0.31 0.00 0.00 175.10 174.40 2kh2 s ALA 59 N -3.58 3.86 -0.27 1.32 0.00 0.19 -0.68 121.76 122.60 2kh2 s ALA 59 Ca 0.04 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.19 2kh2 s ALA 59 Cb 0.05 -1.97 0.08 0.00 0.00 0.00 0.00 23.12 21.27 2kh2 s ALA 59 CO -0.09 0.53 -0.00 -0.51 0.00 0.00 0.00 175.76 175.68 2kh2 s LEU 60 N -3.12 2.86 0.14 0.00 1.43 -1.25 -2.85 118.68 115.88 2kh2 s LEU 60 Ca 0.38 -1.44 0.06 0.00 -1.03 0.00 0.00 54.13 52.10 2kh2 s LEU 60 Cb -0.11 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 2kh2 s LEU 60 CO 0.28 -0.30 -0.14 -0.83 0.23 0.00 0.00 176.35 175.60 2kh2 s GLY 61 N 1.36 1.14 0.21 -3.19 0.00 -1.16 -0.93 107.32 104.76 2kh2 s GLY 61 Ca 0.00 -1.39 -0.30 0.00 0.00 0.00 0.00 44.72 43.03 2kh2 s GLY 61 CO -0.10 -1.46 1.18 1.08 0.00 0.00 0.00 173.10 173.79 2kh2 s LEU 62 N -2.72 4.47 -0.06 0.66 1.02 0.20 -0.47 118.68 121.78 2kh2 s LEU 62 Ca 0.13 2.27 -0.36 0.00 0.02 0.00 0.00 54.13 56.18 2kh2 s LEU 62 Cb -0.03 -3.61 -0.14 0.00 0.02 0.00 0.00 46.19 42.43 2kh2 s LEU 62 CO 0.03 -0.33 1.69 1.17 0.02 0.00 0.00 176.35 178.93 2kh2 n LYS 63 N 2.11 1.71 -2.41 1.70 4.81 -0.69 -1.46 118.16 123.93 2kh2 n LYS 63 Ca 0.03 0.62 -0.14 0.00 -0.87 0.00 0.00 58.31 57.95 2kh2 n LYS 63 Cb 0.45 -2.37 -0.01 0.00 0.02 0.00 0.00 35.03 33.12 2kh2 n LYS 63 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2kh2 n GLU 64 N 4.90 -2.11 -4.20 1.64 0.28 -1.26 -4.96 120.64 114.93 2kh2 n GLU 64 Ca 0.22 0.67 -0.17 0.00 -0.16 0.00 0.00 57.16 57.72 2kh2 n GLU 64 Cb 0.23 -5.28 -0.11 0.00 1.43 0.00 0.00 31.44 27.71 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 -4.99 0.89 -0.08 3.44 1.02 -0.54 -5.02 119.74 114.46 2kh2 s LYS 65 Ca 0.00 -1.10 0.06 0.00 0.02 0.00 0.00 55.97 54.95 2kh2 s LYS 65 Cb 0.00 -0.77 0.33 0.00 -0.52 0.00 0.00 37.83 36.87 2kh2 s LYS 65 CO 0.00 0.15 1.05 0.27 -0.92 0.00 0.00 175.35 175.90 2kh2 n ASN 66 N 0.84 2.76 -4.58 2.83 0.23 -1.26 -4.45 115.26 111.63 2kh2 n ASN 66 Ca -0.18 -2.33 -0.38 0.00 -0.53 0.00 0.00 54.58 51.17 2kh2 n ASN 66 Cb 0.56 -0.52 -0.11 0.00 -2.08 0.00 0.00 39.78 37.63 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 -1.12 3.98 0.14 -4.53 1.43 -1.26 -0.79 118.68 116.53 2kh2 s LEU 67 Ca 0.22 -0.02 0.10 0.00 -1.03 0.00 0.00 54.13 53.41 2kh2 s LEU 67 Cb 0.16 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 2kh2 s LEU 67 CO 0.08 -0.04 -0.24 -0.31 0.23 0.00 0.00 176.35 176.07 2kh2 s TYR 68 N 1.69 2.12 -0.07 0.29 1.51 -0.32 -0.63 117.35 121.94 2kh2 s TYR 68 Ca 0.07 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.44 2kh2 s TYR 68 Cb -0.16 -1.11 -0.03 0.00 -0.11 0.00 0.00 41.96 40.55 2kh2 s TYR 68 CO 0.10 0.35 1.21 -0.51 -1.11 0.00 0.00 175.55 175.59 2kh2 s LEU 69 N -2.27 4.26 0.01 -1.29 1.43 -0.11 -0.94 118.68 119.77 2kh2 s LEU 69 Ca 0.14 1.80 0.06 0.00 -1.03 0.00 0.00 54.13 55.10 2kh2 s LEU 69 Cb -0.09 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 2kh2 s LEU 69 CO 0.07 -0.61 -0.19 -0.55 0.23 0.00 0.00 176.35 175.29 2kh2 s SER 70 N 1.55 2.29 -0.28 2.29 0.15 0.33 -4.47 113.70 115.56 2kh2 s SER 70 Ca 0.56 -0.41 -0.06 0.00 0.70 0.00 0.00 55.95 56.74 2kh2 s SER 70 Cb -0.24 -0.23 0.01 0.00 -1.71 0.00 0.00 66.02 63.85 2kh2 s SER 70 CO 0.21 0.20 0.05 0.00 1.20 0.00 0.00 173.24 174.90 2kh2 s VAL 72 N 1.48 0.48 -0.26 0.00 -7.23 -0.68 -4.77 120.40 109.43 2kh2 s VAL 72 Ca 0.03 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.05 2kh2 s VAL 72 Cb -0.17 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 2kh2 s VAL 72 CO 0.01 0.00 0.37 -0.76 -0.31 0.00 0.00 175.10 174.41 2kh2 s LEU 73 N -3.30 4.06 -0.16 1.32 1.43 -1.26 0.19 118.68 120.96 2kh2 s LEU 73 Ca 0.38 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 2kh2 s LEU 73 Cb 0.08 -2.42 0.03 0.00 0.03 0.00 0.00 46.19 43.90 2kh2 s LEU 73 CO 0.14 -0.15 -0.12 -0.54 0.23 0.00 0.00 176.35 175.90 2kh2 s LYS 74 N 1.90 2.10 -1.22 1.70 1.02 0.10 -4.72 119.74 120.62 2kh2 s LYS 74 Ca 0.15 -0.60 -0.02 0.00 0.02 0.00 0.00 55.97 55.52 2kh2 s LYS 74 Cb -0.16 -2.14 0.00 0.00 -0.52 0.00 0.00 37.83 35.02 2kh2 s LYS 74 CO 0.09 -0.30 1.03 -3.47 -0.92 0.00 0.00 175.35 171.78 2kh2 n ASP 75 N 4.77 -2.84 -1.87 2.83 -0.08 -1.26 -1.83 116.55 116.27 2kh2 n ASP 75 Ca -0.16 -0.60 -0.18 0.00 -1.51 0.00 0.00 54.79 52.34 2kh2 n ASP 75 Cb 0.49 -5.09 -0.05 0.00 2.34 0.00 0.00 41.12 38.81 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 -3.10 -4.85 -3.85 1.67 10.43 -1.26 -4.96 116.55 110.62 2kh2 n ASP 76 Ca -0.23 0.29 -0.18 0.00 2.57 0.00 0.00 54.79 57.24 2kh2 n ASP 76 Cb 0.65 -4.24 -0.16 0.00 1.84 0.00 0.00 41.12 39.21 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 2kh2 s LYS 77 N -4.10 0.48 0.03 -1.24 2.47 -0.76 -5.11 119.74 111.51 2kh2 s LYS 77 Ca 0.00 0.00 -0.30 0.00 -1.56 0.00 0.00 55.97 54.11 2kh2 s LYS 77 Cb 0.00 -0.59 -0.08 0.00 -1.46 0.00 0.00 37.83 35.70 2kh2 s LYS 77 CO 0.00 -0.10 1.73 -2.14 0.16 0.00 0.00 175.35 175.00 2kh2 s PRO 78 N 0.91 4.18 0.04 4.03 0.02 -1.26 0.03 135.00 142.95 2kh2 s PRO 78 Ca -0.10 2.36 0.03 0.00 0.02 0.00 0.00 61.00 63.32 2kh2 s PRO 78 Cb -0.13 -3.82 -0.02 0.00 0.02 0.00 0.00 34.50 30.54 2kh2 s PRO 78 CO -0.01 -0.82 -0.10 0.99 -0.33 0.00 0.00 177.00 176.73 2kh2 s THR 79 N 3.41 0.77 0.16 0.99 2.01 0.13 -4.72 115.64 118.40 2kh2 s THR 79 Ca 0.77 -1.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.62 2kh2 s THR 79 Cb -0.39 -0.76 -0.07 0.00 0.01 0.00 0.00 72.50 71.29 2kh2 s THR 79 CO 0.34 -0.20 0.59 -0.22 -0.69 0.00 0.00 174.62 174.44 2kh2 s LEU 80 N -1.32 4.35 0.23 4.42 2.96 -1.26 -1.68 118.68 126.38 2kh2 s LEU 80 Ca -0.04 1.17 -0.13 0.00 -0.22 0.00 0.00 54.13 54.90 2kh2 s LEU 80 Cb -0.08 -3.32 -0.00 0.00 0.50 0.00 0.00 46.19 43.29 2kh2 s LEU 80 CO 0.01 0.10 0.47 0.00 -1.32 0.00 0.00 176.35 175.61 2kh2 s GLN 81 N -1.91 1.50 -0.33 1.98 -2.07 0.22 -4.85 119.66 114.20 2kh2 s GLN 81 Ca 0.38 -1.19 -0.11 0.00 -1.82 0.00 0.00 55.36 52.63 2kh2 s GLN 81 Cb -0.16 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.24 2kh2 s GLN 81 CO 0.19 -0.62 0.18 -0.51 -1.32 0.00 0.00 175.29 173.21 2kh2 s LEU 82 N -2.99 4.33 -0.10 2.60 2.01 -1.26 -0.51 118.68 122.76 2kh2 s LEU 82 Ca 0.20 -0.63 -0.04 0.00 0.01 0.00 0.00 54.13 53.67 2kh2 s LEU 82 Cb -0.01 -2.03 -0.04 0.00 0.01 0.00 0.00 46.19 44.13 2kh2 s LEU 82 CO 0.07 -0.25 0.05 -1.61 1.01 0.00 0.00 176.35 175.62 2kh2 s GLU 83 N 1.62 3.20 -0.38 1.70 2.02 -0.12 -4.90 118.70 121.84 2kh2 s GLU 83 Ca 0.04 -0.30 -0.19 0.00 0.02 0.00 0.00 54.97 54.53 2kh2 s GLU 83 Cb -0.18 -2.96 0.01 0.00 0.10 0.00 0.00 34.13 31.10 2kh2 s GLU 83 CO 0.07 0.71 0.57 -1.12 0.02 0.00 0.00 175.26 175.51 2kh2 s SER 84 N -0.86 6.34 0.29 -0.19 0.01 -1.26 -1.18 113.70 116.85 2kh2 s SER 84 Ca 0.13 -0.12 0.08 0.00 1.31 0.00 0.00 55.95 57.36 2kh2 s SER 84 Cb -0.12 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.78 2kh2 s SER 84 CO 0.03 -0.59 0.10 0.68 0.41 0.00 0.00 173.24 173.87 2kh2 s VAL 85 N 2.56 3.52 -0.25 3.43 -7.23 0.03 -5.02 120.40 117.43 2kh2 s VAL 85 Ca 0.21 -1.70 -0.28 0.00 -1.81 0.00 0.00 61.98 58.39 2kh2 s VAL 85 Cb -0.15 -3.02 -0.04 0.00 0.56 0.00 0.00 36.38 33.73 2kh2 s VAL 85 CO 0.15 -0.29 2.05 -0.62 -0.31 0.00 0.00 175.10 176.08 2kh2 s ASP 86 N -3.79 5.65 0.60 4.85 3.68 -1.26 -4.79 116.67 121.60 2kh2 s ASP 86 Ca 0.34 1.69 0.38 0.00 2.13 0.00 0.00 52.55 57.09 2kh2 s ASP 86 Cb -0.05 -2.52 1.78 0.00 -1.45 0.00 0.00 42.92 40.68 2kh2 s ASP 86 CO 0.22 -1.84 2.13 1.55 0.13 0.00 0.00 175.17 177.37 2kh2 h PRO 87 N 14.12 0.00 0.00 4.34 0.13 -1.91 -1.71 132.00 146.97 2kh2 h PRO 87 Ca -0.38 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2kh2 h PRO 87 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kh2 h PRO 87 CO 0.99 0.00 -0.61 1.57 -0.23 0.00 0.00 178.00 179.72 2kh2 h LYS 88 N 0.00 0.00 -0.26 0.86 2.10 -2.01 -3.31 116.57 113.95 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 0.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 2kh2 h LYS 88 CO 0.00 0.01 0.00 0.09 -2.00 0.00 0.00 179.45 177.55 2kh2 n ASN 89 N -2.86 2.66 -4.16 7.07 3.02 -0.91 -4.99 115.26 115.10 2kh2 n ASN 89 Ca 0.01 -1.92 -0.17 0.00 -0.03 0.00 0.00 54.58 52.48 2kh2 n ASN 89 Cb 0.55 -0.17 -0.12 0.00 -0.61 0.00 0.00 39.78 39.43 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 -0.97 1.13 0.00 3.10 1.51 -0.69 -4.62 117.35 116.80 2kh2 s TYR 90 Ca 0.19 -0.48 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 2kh2 s TYR 90 Cb 0.10 -0.64 0.00 0.00 -0.11 0.00 0.00 41.96 41.31 2kh2 s TYR 90 CO 0.13 0.04 0.00 -0.35 -1.11 0.00 0.00 175.55 174.26 2kh2 n PRO 91 N 1.25 0.41 -3.85 -1.71 -0.04 -1.26 -4.78 135.00 125.03 2kh2 n PRO 91 Ca -0.21 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.15 2kh2 n PRO 91 Cb 0.54 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.94 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 -2.52 1.12 0.18 0.54 -2.85 -1.26 -5.06 119.74 109.89 2kh2 s LYS 92 Ca 0.00 -1.00 -0.11 0.00 -1.00 0.00 0.00 55.97 53.85 2kh2 s LYS 92 Cb 0.00 0.41 0.09 0.00 -2.06 0.00 0.00 37.83 36.27 2kh2 s LYS 92 CO 0.00 -0.42 1.73 -0.22 0.10 0.00 0.00 175.35 176.54 2kh2 h LYS 93 N 2.50 0.95 -3.44 1.78 1.63 -1.98 -3.34 116.57 114.67 2kh2 h LYS 93 Ca -0.32 -0.18 -0.69 0.00 -0.85 0.00 0.00 60.65 58.61 2kh2 h LYS 93 Cb 1.23 -0.15 -0.36 0.00 -0.60 0.00 0.00 32.23 32.35 2kh2 h LYS 93 CO 0.48 0.81 -0.29 0.21 -3.45 0.00 0.00 179.45 177.21 2kh2 s LYS 94 N -5.52 2.79 0.83 1.90 2.47 -1.26 -2.32 119.74 118.63 2kh2 s LYS 94 Ca -0.13 -2.85 -0.12 0.00 -1.56 0.00 0.00 55.97 51.31 2kh2 s LYS 94 Cb 0.13 -3.78 0.10 0.00 -1.46 0.00 0.00 37.83 32.82 2kh2 s LYS 94 CO 0.81 -1.21 1.19 -1.64 0.16 0.00 0.00 175.35 174.66 2kh2 s MET 95 N -0.61 1.73 0.46 4.03 -1.94 -1.25 -5.01 119.30 116.71 2kh2 s MET 95 Ca 0.21 -0.02 -0.25 0.00 -1.71 0.00 0.00 55.69 53.92 2kh2 s MET 95 Cb -0.15 -1.95 -0.08 0.00 2.01 0.00 0.00 34.83 34.66 2kh2 s MET 95 CO -0.07 -1.72 1.39 -1.21 -0.01 0.00 0.00 175.02 173.39 2kh2 s GLU 96 N -5.61 3.63 0.59 2.03 8.01 -1.26 -4.88 118.70 121.21 2kh2 s GLU 96 Ca 0.64 2.32 0.39 0.00 0.01 0.00 0.00 54.97 58.34 2kh2 s GLU 96 Cb -0.10 -2.59 2.11 0.00 -4.31 0.00 0.00 34.13 29.24 2kh2 s GLU 96 CO 0.49 -0.83 2.20 -0.22 0.01 0.00 0.00 175.26 176.91 2kh2 h LYS 97 N 2.21 0.00 -0.00 1.61 3.64 -1.95 0.65 116.57 122.73 2kh2 h LYS 97 Ca -0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2kh2 h LYS 97 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2kh2 h LYS 97 CO 0.61 0.00 -0.11 2.89 -2.27 0.00 0.00 179.45 180.56 2kh2 n ARG 98 N -2.90 0.48 -0.02 1.90 1.85 -1.26 -3.19 116.66 113.51 2kh2 n ARG 98 Ca -0.02 -0.14 0.04 0.00 -1.00 0.00 0.00 57.85 56.73 2kh2 n ARG 98 Cb 0.08 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 30.04 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 -1.14 0.05 -3.67 2.89 3.72 0.20 -1.26 117.46 118.25 2kh2 n PHE 99 Ca 0.12 -0.08 -0.36 0.00 -0.05 0.00 0.00 57.45 57.08 2kh2 n PHE 99 Cb 0.29 -0.01 -0.09 0.00 -0.94 0.00 0.00 39.48 38.73 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 -0.73 5.34 0.11 -4.37 1.01 -1.12 -3.96 120.40 116.68 2kh2 s VAL 100 Ca 0.11 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.32 2kh2 s VAL 100 Cb 0.07 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2kh2 s VAL 100 CO 0.10 0.35 -0.06 -0.36 0.00 0.00 0.00 175.10 175.14 2kh2 s PHE 101 N 1.01 2.83 -0.47 5.22 0.08 0.15 -2.24 117.98 124.56 2kh2 s PHE 101 Ca 0.07 -0.11 -0.10 0.00 0.12 0.00 0.00 56.93 56.91 2kh2 s PHE 101 Cb -0.13 -1.45 0.11 0.00 -0.57 0.00 0.00 43.02 40.98 2kh2 s PHE 101 CO 0.04 0.46 0.35 -0.80 -0.10 0.00 0.00 175.22 175.17 2kh2 s ASN 102 N -2.35 5.75 -0.56 1.36 0.02 0.24 -1.19 114.94 118.21 2kh2 s ASN 102 Ca 0.24 -1.83 -0.28 0.00 -1.02 0.00 0.00 52.86 49.96 2kh2 s ASN 102 Cb -0.11 -2.03 0.03 0.00 0.02 0.00 0.00 41.25 39.15 2kh2 s ASN 102 CO 0.16 -0.69 1.23 -0.75 0.02 0.00 0.00 177.10 177.07 2kh2 s LYS 103 N 1.40 3.50 0.02 -0.60 2.20 0.82 -0.67 119.74 126.41 2kh2 s LYS 103 Ca 0.05 0.34 -0.21 0.00 -0.36 0.00 0.00 55.97 55.79 2kh2 s LYS 103 Cb -0.26 -4.02 -0.06 0.00 -1.51 0.00 0.00 37.83 31.98 2kh2 s LYS 103 CO 0.00 -1.69 0.60 0.42 -0.36 0.00 0.00 175.35 174.32 2kh2 s ILE 104 N 5.10 4.84 -0.80 5.43 1.01 0.86 -0.86 121.20 136.79 2kh2 s ILE 104 Ca 0.46 1.27 0.02 0.00 0.00 0.00 0.00 60.65 62.40 2kh2 s ILE 104 Cb -0.08 -3.94 0.27 0.00 0.01 0.00 0.00 42.46 38.71 2kh2 s ILE 104 CO 0.26 0.45 0.99 -0.62 0.00 0.00 0.00 174.94 176.02 2kh2 n GLU 105 N 2.45 3.17 0.43 2.79 -0.58 0.11 -1.15 120.64 127.85 2kh2 n GLU 105 Ca -0.07 -4.63 -0.17 0.00 -0.42 0.00 0.00 57.16 51.87 2kh2 n GLU 105 Cb 0.51 -2.35 -0.08 0.00 -0.57 0.00 0.00 31.44 28.94 2kh2 n GLU 105 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 2kh2 h ILE 106 N 3.32 0.00 0.00 -3.67 3.07 -1.82 -3.45 117.51 114.96 2kh2 h ILE 106 Ca 0.20 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.61 2kh2 h ILE 106 Cb 0.65 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.20 2kh2 h ILE 106 CO 1.00 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.64 2kh2 n ASN 107 N -5.07 0.00 0.15 2.16 0.23 -1.26 -4.99 115.26 106.48 2kh2 n ASN 107 Ca -0.14 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 53.93 2kh2 n ASN 107 Cb 0.44 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.30 2kh2 n ASN 107 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 2kh2 h ASN 108 N 0.00 0.00 -2.08 0.53 -0.26 -2.00 -3.45 115.58 108.32 2kh2 h ASN 108 Ca 0.00 0.00 -0.54 0.00 -0.56 0.00 0.00 56.30 55.20 2kh2 h ASN 108 Cb 0.00 0.00 -0.08 0.00 -1.06 0.00 0.00 38.32 37.18 2kh2 h ASN 108 CO 0.00 0.54 -0.57 -0.54 -1.06 0.00 0.00 177.43 175.79 2kh2 s LYS 109 N -3.28 2.49 0.13 0.81 -0.14 -1.26 -5.01 119.74 113.48 2kh2 s LYS 109 Ca 0.01 -1.37 0.09 0.00 -1.36 0.00 0.00 55.97 53.34 2kh2 s LYS 109 Cb 0.10 -2.28 -0.04 0.00 -1.68 0.00 0.00 37.83 33.94 2kh2 s LYS 109 CO 0.73 0.28 -0.20 -0.48 -0.76 0.00 0.00 175.35 174.92 2kh2 s LEU 110 N -3.78 2.36 0.22 3.17 2.34 -0.86 -3.65 118.68 118.48 2kh2 s LEU 110 Ca 0.34 -0.77 0.11 0.00 0.06 0.00 0.00 54.13 53.88 2kh2 s LEU 110 Cb -0.06 -0.88 -0.05 0.00 -0.56 0.00 0.00 46.19 44.64 2kh2 s LEU 110 CO 0.22 0.03 -0.22 -1.61 -1.06 0.00 0.00 176.35 173.71 2kh2 s GLU 111 N -2.31 1.55 -0.34 1.48 2.02 -0.30 0.16 118.70 120.96 2kh2 s GLU 111 Ca 0.11 -1.60 0.02 0.00 0.02 0.00 0.00 54.97 53.52 2kh2 s GLU 111 Cb -0.08 -1.76 0.09 0.00 0.10 0.00 0.00 34.13 32.48 2kh2 s GLU 111 CO 0.05 0.36 0.07 -0.06 0.02 0.00 0.00 175.26 175.70 2kh2 s PHE 112 N -2.02 3.63 0.24 1.61 0.08 -1.26 -0.10 117.98 120.17 2kh2 s PHE 112 Ca 0.24 -2.71 -0.05 0.00 0.12 0.00 0.00 56.93 54.53 2kh2 s PHE 112 Cb -0.07 -2.83 -0.05 0.00 -0.57 0.00 0.00 43.02 39.50 2kh2 s PHE 112 CO 0.11 -0.94 0.50 -2.00 -0.10 0.00 0.00 175.22 172.79 2kh2 s GLU 113 N 1.01 3.64 -0.11 0.44 2.12 0.15 -1.96 118.70 123.99 2kh2 s GLU 113 Ca 0.07 -0.03 -0.21 0.00 0.36 0.00 0.00 54.97 55.16 2kh2 s GLU 113 Cb -0.20 -2.71 -0.04 0.00 0.26 0.00 0.00 34.13 31.44 2kh2 s GLU 113 CO -0.06 0.30 0.61 0.45 -0.54 0.00 0.00 175.26 176.02 2kh2 s SER 114 N -2.92 6.83 0.23 -1.70 0.15 -0.29 0.81 113.70 116.81 2kh2 s SER 114 Ca 0.43 1.00 -0.03 0.00 0.70 0.00 0.00 55.95 58.05 2kh2 s SER 114 Cb -0.11 -2.36 0.24 0.00 -1.71 0.00 0.00 66.02 62.08 2kh2 s SER 114 CO 0.28 -0.10 1.65 0.00 1.20 0.00 0.00 173.24 176.27 2kh2 h ALA 115 N 6.87 0.93 -0.10 5.45 0.00 -1.66 -2.89 119.26 127.86 2kh2 h ALA 115 Ca -0.39 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 53.98 2kh2 h ALA 115 Cb 1.18 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2kh2 h ALA 115 CO 0.76 0.61 -0.69 0.37 0.00 0.00 0.00 179.25 180.30 2kh2 h GLN 116 N 0.62 0.44 -3.39 0.00 5.75 -1.77 -3.40 115.11 113.37 2kh2 h GLN 116 Ca 0.09 -0.34 -0.62 0.00 -0.15 0.00 0.00 58.65 57.62 2kh2 h GLN 116 Cb 0.71 0.06 -0.40 0.00 1.07 0.00 0.00 27.48 28.92 2kh2 h GLN 116 CO 0.05 0.97 -0.70 -0.06 -2.65 0.00 0.00 178.83 176.45 2kh2 s PHE 117 N -3.70 2.61 0.53 3.99 0.08 -1.10 -5.09 117.98 115.30 2kh2 s PHE 117 Ca -0.06 -2.71 -0.22 0.00 0.12 0.00 0.00 56.93 54.07 2kh2 s PHE 117 Cb 0.11 -2.34 -0.05 0.00 -0.57 0.00 0.00 43.02 40.16 2kh2 s PHE 117 CO 0.84 -0.80 1.28 -2.14 -0.10 0.00 0.00 175.22 174.30 2kh2 s PRO 118 N 0.31 3.28 0.00 0.24 0.02 -1.16 -2.61 135.00 135.07 2kh2 s PRO 118 Ca 0.16 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.22 2kh2 s PRO 118 Cb -0.24 -2.24 0.00 0.00 0.02 0.00 0.00 34.50 32.04 2kh2 s PRO 118 CO -0.03 -1.02 0.00 0.09 -0.33 0.00 0.00 177.00 175.71 2kh2 n ASN 119 N -0.97 -0.16 -4.37 2.53 5.03 -1.26 -4.99 115.26 111.06 2kh2 n ASN 119 Ca 0.10 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.20 2kh2 n ASN 119 Cb 0.47 -0.28 -0.13 0.00 -1.02 0.00 0.00 39.78 38.82 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2kh2 s TRP 120 N -3.62 2.96 0.25 3.10 0.52 -1.07 -4.50 118.94 116.59 2kh2 s TRP 120 Ca 0.00 -0.70 0.10 0.00 0.02 0.00 0.00 56.10 55.52 2kh2 s TRP 120 Cb 0.00 -2.05 -0.05 0.00 -1.15 0.00 0.00 33.47 30.22 2kh2 s TRP 120 CO 0.00 -0.37 -0.18 0.71 0.02 0.00 0.00 176.95 177.13 2kh2 s TYR 121 N 1.09 2.04 -0.17 -1.98 1.51 0.44 -1.14 117.35 119.14 2kh2 s TYR 121 Ca 0.01 -0.43 -0.29 0.00 -1.01 0.00 0.00 57.07 55.35 2kh2 s TYR 121 Cb -0.15 -0.91 -0.03 0.00 -0.11 0.00 0.00 41.96 40.76 2kh2 s TYR 121 CO 0.00 0.57 1.60 0.42 -1.11 0.00 0.00 175.55 177.03 2kh2 s ILE 122 N -2.70 3.71 0.19 2.71 1.01 -0.83 -0.59 121.20 124.69 2kh2 s ILE 122 Ca 0.27 0.82 0.09 0.00 0.00 0.00 0.00 60.65 61.84 2kh2 s ILE 122 Cb -0.03 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 2kh2 s ILE 122 CO 0.12 -0.21 -0.11 -0.44 0.00 0.00 0.00 174.94 174.29 2kh2 s SER 123 N 3.82 4.14 -0.04 3.58 0.01 0.51 -4.38 113.70 121.34 2kh2 s SER 123 Ca 0.71 -0.63 -0.02 0.00 1.31 0.00 0.00 55.95 57.32 2kh2 s SER 123 Cb -0.27 -0.65 0.03 0.00 0.21 0.00 0.00 66.02 65.33 2kh2 s SER 123 CO 0.28 0.10 0.08 0.42 0.41 0.00 0.00 173.24 174.53 2kh2 s THR 124 N -1.74 -0.04 0.90 1.44 -4.23 -0.41 -2.65 115.64 108.92 2kh2 s THR 124 Ca 0.25 0.14 -0.13 0.00 -1.18 0.00 0.00 61.69 60.77 2kh2 s THR 124 Cb -0.08 -0.14 0.13 0.00 1.34 0.00 0.00 72.50 73.75 2kh2 s THR 124 CO 0.15 0.06 1.16 -0.44 -0.54 0.00 0.00 174.62 175.00 2kh2 s SER 125 N 0.82 3.61 0.30 3.99 0.01 -1.26 0.03 113.70 121.19 2kh2 s SER 125 Ca -0.06 0.86 0.15 0.00 1.31 0.00 0.00 55.95 58.21 2kh2 s SER 125 Cb -0.09 -1.37 0.34 0.00 0.21 0.00 0.00 66.02 65.11 2kh2 s SER 125 CO -0.03 -2.48 1.57 1.56 0.41 0.00 0.00 173.24 174.27 2kh2 h GLN 126 N -1.45 0.00 -6.96 12.44 1.08 -1.99 -3.45 115.11 114.79 2kh2 h GLN 126 Ca -0.49 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.16 2kh2 h GLN 126 Cb 1.32 0.00 0.12 0.00 -0.05 0.00 0.00 27.48 28.87 2kh2 h GLN 126 CO 0.60 0.53 0.70 0.00 -0.95 0.00 0.00 178.83 179.71 2kh2 n ALA 127 N -2.30 2.07 -1.79 3.87 0.00 -1.26 -4.97 120.51 116.13 2kh2 n ALA 127 Ca 0.00 0.28 -0.36 0.00 0.00 0.00 0.00 53.44 53.36 2kh2 n ALA 127 Cb 0.65 -2.39 -0.06 0.00 0.00 0.00 0.00 19.45 17.65 2kh2 n ALA 127 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2kh2 s GLU 128 N -2.32 4.40 -1.00 0.00 2.56 -1.26 -3.83 118.70 117.24 2kh2 s GLU 128 Ca 0.59 1.32 -0.01 0.00 0.00 0.00 0.00 54.97 56.86 2kh2 s GLU 128 Cb -0.46 -2.59 0.00 0.00 2.00 0.00 0.00 34.13 33.08 2kh2 s GLU 128 CO 0.59 0.11 0.19 -1.71 -0.56 0.00 0.00 175.26 173.88 2kh2 n ASN 129 N 0.12 -4.13 -4.89 -1.70 5.15 -1.12 -5.02 115.26 103.68 2kh2 n ASN 129 Ca 0.04 -0.09 -0.35 0.00 -0.60 0.00 0.00 54.58 53.57 2kh2 n ASN 129 Cb 0.51 -3.17 -0.05 0.00 -0.53 0.00 0.00 39.78 36.54 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 -4.93 3.49 0.97 1.20 -1.94 -1.17 -4.84 119.30 112.09 2kh2 s MET 130 Ca 0.09 -0.16 -0.12 0.00 -1.71 0.00 0.00 55.69 53.79 2kh2 s MET 130 Cb -0.04 -3.13 0.17 0.00 2.01 0.00 0.00 34.83 33.84 2kh2 s MET 130 CO 0.11 0.71 1.11 -1.25 -0.01 0.00 0.00 175.02 175.70 2kh2 s PRO 131 N -1.50 0.68 -0.09 2.03 0.04 -1.26 0.24 135.00 135.14 2kh2 s PRO 131 Ca 0.22 0.38 -0.14 0.00 0.04 0.00 0.00 61.00 61.51 2kh2 s PRO 131 Cb -0.13 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 2kh2 s PRO 131 CO 0.12 -2.53 0.34 0.08 0.04 0.00 0.00 177.00 175.05 2kh2 s VAL 132 N -3.12 5.21 0.28 -0.36 1.01 -0.88 -4.71 120.40 117.83 2kh2 s VAL 132 Ca 0.65 0.67 -0.00 0.00 0.00 0.00 0.00 61.98 63.30 2kh2 s VAL 132 Cb -0.17 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 2kh2 s VAL 132 CO 0.56 0.49 0.31 0.72 0.00 0.00 0.00 175.10 177.17 2kh2 s PHE 133 N -0.33 1.21 -0.20 5.22 -0.12 -1.08 -4.88 117.98 117.80 2kh2 s PHE 133 Ca 0.20 -1.36 -0.08 0.00 -0.05 0.00 0.00 56.93 55.64 2kh2 s PHE 133 Cb -0.15 -0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 41.82 2kh2 s PHE 133 CO 0.08 -0.89 0.09 -1.17 -0.05 0.00 0.00 175.22 173.29 2kh2 s LEU 134 N -3.23 3.88 0.17 -1.99 2.96 -1.26 -0.36 118.68 118.85 2kh2 s LEU 134 Ca 0.35 0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.36 2kh2 s LEU 134 Cb 0.03 -2.00 -0.05 0.00 0.50 0.00 0.00 46.19 44.67 2kh2 s LEU 134 CO 0.19 0.13 -0.02 -0.83 -1.32 0.00 0.00 176.35 174.50 2kh2 s GLY 135 N 0.64 1.23 -0.07 7.98 0.00 0.24 -4.83 107.32 112.51 2kh2 s GLY 135 Ca 0.05 -1.59 0.10 0.00 0.00 0.00 0.00 44.72 43.28 2kh2 s GLY 135 CO 0.01 -1.56 1.15 0.61 0.00 0.00 0.00 173.10 173.32 2kh2 n GLY 136 N -0.25 3.68 2.95 0.20 0.00 -1.26 -0.42 105.19 110.09 2kh2 n GLY 136 Ca -0.07 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 2kh2 n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kh2 n THR 137 N -0.60 4.68 -2.27 2.61 -2.24 -1.26 -4.94 114.28 110.26 2kh2 n THR 137 Ca 0.10 -4.94 -0.43 0.00 -2.27 0.00 0.00 64.05 56.51 2kh2 n THR 137 Cb 0.50 -2.28 -0.02 0.00 -2.10 0.00 0.00 70.33 66.42 2kh2 n THR 137 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kh2 s LYS 138 N -0.64 3.83 0.00 -0.78 2.20 -1.26 -2.37 119.74 120.72 2kh2 s LYS 138 Ca 0.37 1.43 0.00 0.00 -0.36 0.00 0.00 55.97 57.41 2kh2 s LYS 138 Cb 0.07 -3.97 0.00 0.00 -1.51 0.00 0.00 37.83 32.42 2kh2 s LYS 138 CO 0.04 -1.24 0.00 0.41 -0.36 0.00 0.00 175.35 174.20 2kh2 n GLY 139 N 4.53 0.65 0.00 5.54 0.00 -1.26 -5.05 105.19 109.60 2kh2 n GLY 139 Ca 0.17 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2kh2 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kh2 n GLY 140 N -2.58 1.17 0.12 -0.02 0.00 -1.00 -5.02 105.19 97.87 2kh2 n GLY 140 Ca 0.00 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 45.01 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 0.25 -6.50 1.61 7.50 -1.97 -3.46 115.11 112.54 2kh2 h GLN 141 Ca 0.00 -0.43 -0.53 0.00 0.50 0.00 0.00 58.65 58.19 2kh2 h GLN 141 Cb 0.00 0.16 -0.02 0.00 0.05 0.00 0.00 27.48 27.67 2kh2 h GLN 141 CO 0.00 1.10 0.39 -0.51 -1.50 0.00 0.00 178.83 178.31 2kh2 s ASP 142 N -6.94 7.39 0.02 1.46 1.01 -1.26 -4.54 116.67 113.81 2kh2 s ASP 142 Ca -0.14 1.78 -0.30 0.00 0.71 0.00 0.00 52.55 54.60 2kh2 s ASP 142 Cb 0.07 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.36 2kh2 s ASP 142 CO 0.82 -0.19 1.32 -0.63 0.21 0.00 0.00 175.17 176.71 2kh2 s ILE 143 N 0.47 3.82 -0.26 0.77 1.01 0.10 -4.67 121.20 122.45 2kh2 s ILE 143 Ca 0.50 1.23 0.06 0.00 0.00 0.00 0.00 60.65 62.45 2kh2 s ILE 143 Cb -0.23 -3.79 -0.07 0.00 0.01 0.00 0.00 42.46 38.37 2kh2 s ILE 143 CO 0.29 0.03 0.25 0.35 0.00 0.00 0.00 174.94 175.86 2kh2 n THR 144 N 4.40 0.00 -3.52 2.92 -2.24 -1.26 -1.28 114.28 113.30 2kh2 n THR 144 Ca 0.12 -0.33 -0.37 0.00 -2.27 0.00 0.00 64.05 61.20 2kh2 n THR 144 Cb 0.44 0.91 -0.06 0.00 -2.10 0.00 0.00 70.33 69.53 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 -1.74 6.76 0.29 3.42 -4.77 -1.26 -4.11 116.67 115.26 2kh2 s ASP 145 Ca 0.02 0.91 0.06 0.00 -3.30 0.00 0.00 52.55 50.24 2kh2 s ASP 145 Cb 0.05 -2.23 -0.02 0.00 -1.09 0.00 0.00 42.92 39.63 2kh2 s ASP 145 CO 0.26 0.28 0.20 0.49 0.70 0.00 0.00 175.17 177.09 2kh2 n PHE 146 N 1.53 -0.43 -4.47 2.11 3.72 0.12 -3.93 117.46 116.10 2kh2 n PHE 146 Ca -0.12 -2.27 -0.25 0.00 -0.05 0.00 0.00 57.45 54.76 2kh2 n PHE 146 Cb 0.52 0.17 -0.10 0.00 -0.94 0.00 0.00 39.48 39.13 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 -3.03 2.43 -0.47 4.37 -4.23 0.40 -2.03 115.64 113.07 2kh2 s THR 147 Ca 0.28 -2.19 0.04 0.00 -1.18 0.00 0.00 61.69 58.64 2kh2 s THR 147 Cb 0.01 -2.61 0.16 0.00 1.34 0.00 0.00 72.50 71.41 2kh2 s THR 147 CO 0.20 -0.25 0.35 -0.32 -0.54 0.00 0.00 174.62 174.06 2kh2 s MET 148 N -3.61 1.25 -0.40 3.99 1.75 -1.26 -3.83 119.30 117.19 2kh2 s MET 148 Ca 0.32 -2.29 -0.24 0.00 -1.25 0.00 0.00 55.69 52.24 2kh2 s MET 148 Cb -0.00 -1.95 0.02 0.00 2.84 0.00 0.00 34.83 35.73 2kh2 s MET 148 CO 0.17 -1.32 0.84 -0.65 -0.65 0.00 0.00 175.02 173.40 2kh2 s GLN 149 N -0.13 3.67 0.30 4.11 -0.21 -0.91 -4.89 119.66 121.60 2kh2 s GLN 149 Ca 0.28 0.27 -0.28 0.00 0.02 0.00 0.00 55.36 55.65 2kh2 s GLN 149 Cb -0.04 -3.85 -0.09 0.00 1.00 0.00 0.00 33.01 30.03 2kh2 s GLN 149 CO -0.15 -0.98 1.00 -0.06 -2.12 0.00 0.00 175.29 172.98 2kh2 s PHE 150 N 3.32 3.69 0.49 0.91 0.08 -1.26 -0.79 117.98 124.42 2kh2 s PHE 150 Ca 0.33 1.79 0.05 0.00 0.12 0.00 0.00 56.93 59.22 2kh2 s PHE 150 Cb -0.12 -3.06 0.00 0.00 -0.57 0.00 0.00 43.02 39.27 2kh2 s PHE 150 CO 0.20 -0.02 0.27 0.14 -0.10 0.00 0.00 175.22 175.71 2kh2 s VAL 151 N -1.38 1.81 -1.42 -0.44 -7.23 -0.79 -4.96 120.40 105.99 2kh2 s VAL 151 Ca 0.47 -1.63 -0.11 0.00 -1.81 0.00 0.00 61.98 58.90 2kh2 s VAL 151 Cb -0.25 -2.44 0.06 0.00 0.56 0.00 0.00 36.38 34.32 2kh2 s VAL 151 CO 0.31 0.00 2.27 -1.20 -0.31 0.00 0.00 175.10 176.17 2kh2 n SER 152 N -1.52 5.56 0.00 4.85 7.64 -1.26 -4.76 113.62 124.13 2kh2 n SER 152 Ca -0.04 -2.91 0.00 0.00 1.01 0.00 0.00 58.87 56.93 2kh2 n SER 152 Cb 0.65 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83