#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 0.77 -4.70 0.00 0.13 -2.07 -3.41 132.00 122.72 2kh2 h PRO 2 Ca 0.00 -0.05 -0.56 0.00 -0.87 0.00 0.00 66.00 64.53 2kh2 h PRO 2 Cb 0.00 -0.17 -0.34 0.00 0.13 0.00 0.00 31.00 30.62 2kh2 h PRO 2 CO 0.00 0.51 -0.83 0.54 -0.23 0.00 0.00 178.00 177.99 2kh2 s VAL 3 N -6.11 1.36 0.16 1.56 0.11 -1.26 -5.04 120.40 111.17 2kh2 s VAL 3 Ca -0.13 -0.59 -0.01 0.00 -2.93 0.00 0.00 61.98 58.32 2kh2 s VAL 3 Cb 0.15 -1.23 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 2kh2 s VAL 3 CO 0.76 0.41 0.34 -0.13 -3.33 0.00 0.00 175.10 173.15 2kh2 s ARG 4 N 0.71 3.51 -0.07 1.54 0.52 -1.26 -4.95 118.95 118.95 2kh2 s ARG 4 Ca -0.13 -0.35 -0.06 0.00 -0.52 0.00 0.00 55.73 54.67 2kh2 s ARG 4 Cb -0.16 -2.90 0.02 0.00 0.52 0.00 0.00 34.95 32.44 2kh2 s ARG 4 CO 0.03 0.47 0.18 -1.12 0.02 0.00 0.00 175.30 174.88 2kh2 s SER 5 N -2.93 -0.19 0.18 0.23 0.01 -1.26 -0.99 113.70 108.75 2kh2 s SER 5 Ca 0.38 0.37 0.06 0.00 1.31 0.00 0.00 55.95 58.07 2kh2 s SER 5 Cb -0.12 0.36 -0.04 0.00 0.21 0.00 0.00 66.02 66.43 2kh2 s SER 5 CO 0.28 -0.08 0.10 -0.76 0.41 0.00 0.00 173.24 173.19 2kh2 s LEU 6 N 0.25 3.65 -0.27 2.44 1.43 -0.04 -4.86 118.68 121.27 2kh2 s LEU 6 Ca -0.01 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 2kh2 s LEU 6 Cb -0.03 -2.26 0.06 0.00 0.03 0.00 0.00 46.19 44.00 2kh2 s LEU 6 CO -0.01 0.06 -0.09 0.20 0.23 0.00 0.00 176.35 176.75 2kh2 s ASN 7 N -3.16 4.53 0.16 2.29 0.01 -1.26 0.52 114.94 118.03 2kh2 s ASN 7 Ca 0.30 -1.42 0.03 0.00 -0.71 0.00 0.00 52.86 51.06 2kh2 s ASN 7 Cb -0.09 -1.58 -0.05 0.00 0.41 0.00 0.00 41.25 39.94 2kh2 s ASN 7 CO 0.22 -0.21 -0.05 0.00 -1.51 0.00 0.00 177.10 175.55 2kh2 s THR 9 N -3.50 3.36 -0.15 0.00 -4.23 0.73 -1.00 115.64 110.84 2kh2 s THR 9 Ca 0.19 -0.59 -0.05 0.00 -1.18 0.00 0.00 61.69 60.07 2kh2 s THR 9 Cb 0.05 -2.38 -0.03 0.00 1.34 0.00 0.00 72.50 71.47 2kh2 s THR 9 CO 0.02 0.56 0.00 -0.76 -0.54 0.00 0.00 174.62 173.90 2kh2 s LEU 10 N -0.33 3.49 0.00 4.79 1.43 -1.26 -2.23 118.68 124.58 2kh2 s LEU 10 Ca 0.04 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 2kh2 s LEU 10 Cb -0.13 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 2kh2 s LEU 10 CO 0.02 0.21 -0.05 -0.13 0.23 0.00 0.00 176.35 176.63 2kh2 s ARG 11 N 0.16 0.36 0.96 1.70 0.52 -1.22 -3.38 118.95 118.05 2kh2 s ARG 11 Ca 0.01 -0.24 -0.16 0.00 -0.52 0.00 0.00 55.73 54.82 2kh2 s ARG 11 Cb -0.13 -0.30 0.19 0.00 0.52 0.00 0.00 34.95 35.23 2kh2 s ARG 11 CO 0.02 0.08 1.28 0.16 0.02 0.00 0.00 175.30 176.85 2kh2 s ASP 12 N -0.34 3.10 0.00 0.23 1.47 0.04 -0.11 116.67 121.06 2kh2 s ASP 12 Ca -0.01 0.40 0.20 0.00 1.18 0.00 0.00 52.55 54.32 2kh2 s ASP 12 Cb -0.03 -0.54 1.04 0.00 -0.34 0.00 0.00 42.92 43.04 2kh2 s ASP 12 CO -0.00 -2.75 1.63 -1.54 0.68 0.00 0.00 175.17 173.18 2kh2 n SER 13 N -3.81 0.00 -1.45 2.11 3.41 -1.25 -2.30 113.62 110.34 2kh2 n SER 13 Ca 0.14 -0.07 0.11 0.00 -0.26 0.00 0.00 58.87 58.78 2kh2 n SER 13 Cb 0.60 -0.25 0.34 0.00 -0.26 0.00 0.00 64.21 64.63 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 -1.25 3.21 -1.58 4.33 1.13 -1.26 -4.92 117.38 117.03 2kh2 n GLN 14 Ca 0.10 -2.77 -0.11 0.00 -1.94 0.00 0.00 57.00 52.29 2kh2 n GLN 14 Cb 0.15 -1.72 -0.03 0.00 0.11 0.00 0.00 30.24 28.75 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 1.38 -0.79 -3.59 -1.09 1.13 -0.97 -4.88 117.38 108.57 2kh2 n GLN 15 Ca 0.25 0.78 -0.37 0.00 -1.94 0.00 0.00 57.00 55.71 2kh2 n GLN 15 Cb 0.75 -4.78 -0.06 0.00 0.11 0.00 0.00 30.24 26.25 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 -3.40 3.93 0.20 -1.09 1.02 -1.26 -3.06 119.74 116.09 2kh2 s LYS 16 Ca 0.00 0.20 0.09 0.00 0.02 0.00 0.00 55.97 56.28 2kh2 s LYS 16 Cb 0.00 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 2kh2 s LYS 16 CO 0.00 0.55 -0.07 -1.12 -0.92 0.00 0.00 175.35 173.79 2kh2 s SER 17 N -0.52 4.35 -0.18 2.83 0.01 0.11 -0.78 113.70 119.53 2kh2 s SER 17 Ca 0.20 -0.59 -0.22 0.00 1.31 0.00 0.00 55.95 56.65 2kh2 s SER 17 Cb -0.14 -0.77 -0.02 0.00 0.21 0.00 0.00 66.02 65.30 2kh2 s SER 17 CO 0.08 0.08 0.67 -0.76 0.41 0.00 0.00 173.24 173.72 2kh2 s LEU 18 N -3.06 4.17 0.17 2.44 1.43 -1.22 -1.91 118.68 120.70 2kh2 s LEU 18 Ca 0.27 0.92 0.09 0.00 -1.03 0.00 0.00 54.13 54.38 2kh2 s LEU 18 Cb -0.08 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 2kh2 s LEU 18 CO 0.17 -0.28 -0.19 0.68 0.23 0.00 0.00 176.35 176.96 2kh2 s VAL 19 N 1.83 1.93 -0.55 -1.59 -7.23 0.61 -0.68 120.40 114.73 2kh2 s VAL 19 Ca 0.31 -1.96 -0.28 0.00 -1.81 0.00 0.00 61.98 58.24 2kh2 s VAL 19 Cb -0.16 -1.91 0.03 0.00 0.56 0.00 0.00 36.38 34.90 2kh2 s VAL 19 CO 0.11 -0.29 1.21 -0.04 -0.31 0.00 0.00 175.10 175.79 2kh2 s MET 20 N -2.80 3.53 0.00 4.82 -1.94 -1.26 -1.00 119.30 120.65 2kh2 s MET 20 Ca 0.17 0.35 0.00 0.00 -1.71 0.00 0.00 55.69 54.50 2kh2 s MET 20 Cb -0.06 -4.01 0.00 0.00 2.01 0.00 0.00 34.83 32.77 2kh2 s MET 20 CO 0.07 -1.65 0.09 0.45 -0.01 0.00 0.00 175.02 173.97 2kh2 n SER 21 N 8.47 0.00 0.00 3.03 2.88 0.33 -4.94 113.62 123.39 2kh2 n SER 21 Ca 0.10 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 2kh2 n SER 21 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 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 1.91 2.41 0.23 0.46 0.00 -1.20 -4.93 105.19 104.07 2kh2 n GLY 22 Ca 0.00 -2.00 -0.01 0.00 0.00 0.00 0.00 46.02 44.01 2kh2 n GLY 22 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kh2 h PRO 23 N 0.00 0.34 -0.38 1.61 0.11 -2.04 -3.29 132.00 128.35 2kh2 h PRO 23 Ca 0.00 -0.12 -0.26 0.00 0.11 0.00 0.00 66.00 65.73 2kh2 h PRO 23 Cb 0.00 -0.02 -0.39 0.00 0.11 0.00 0.00 31.00 30.70 2kh2 h PRO 23 CO 0.00 0.58 -1.04 0.66 -0.21 0.00 0.00 178.00 177.99 2kh2 n TYR 24 N -4.14 1.20 -4.44 0.65 4.01 -1.26 -5.07 117.16 108.11 2kh2 n TYR 24 Ca -0.01 -1.83 -0.20 0.00 -0.16 0.00 0.00 57.90 55.71 2kh2 n TYR 24 Cb 0.38 -0.23 -0.15 0.00 -0.31 0.00 0.00 39.34 39.03 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 -3.07 0.85 -0.05 -0.72 2.12 -1.24 -4.63 118.70 111.95 2kh2 s GLU 25 Ca 0.32 -0.39 0.05 0.00 0.36 0.00 0.00 54.97 55.31 2kh2 s GLU 25 Cb 0.35 -0.82 -0.01 0.00 0.26 0.00 0.00 34.13 33.91 2kh2 s GLU 25 CO -0.05 0.22 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.16 2kh2 s LEU 26 N -0.30 2.01 0.08 2.70 1.43 -1.26 -0.51 118.68 122.82 2kh2 s LEU 26 Ca 0.04 -0.44 0.09 0.00 -1.03 0.00 0.00 54.13 52.78 2kh2 s LEU 26 Cb -0.04 -1.20 -0.03 0.00 0.03 0.00 0.00 46.19 44.94 2kh2 s LEU 26 CO -0.00 0.21 -0.24 -0.54 0.23 0.00 0.00 176.35 176.01 2kh2 s LYS 27 N -0.10 1.43 -0.19 1.70 1.02 -0.17 -2.67 119.74 120.76 2kh2 s LYS 27 Ca -0.03 -1.13 -0.01 0.00 0.02 0.00 0.00 55.97 54.81 2kh2 s LYS 27 Cb -0.13 -1.69 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 2kh2 s LYS 27 CO 0.03 0.42 -0.12 0.00 -0.92 0.00 0.00 175.35 174.76 2kh2 s ALA 28 N -0.95 2.58 0.11 5.17 0.00 0.30 -0.28 121.76 128.68 2kh2 s ALA 28 Ca 0.10 -1.17 -0.10 0.00 0.00 0.00 0.00 51.96 50.79 2kh2 s ALA 28 Cb -0.10 -1.43 0.01 0.00 0.00 0.00 0.00 23.12 21.60 2kh2 s ALA 28 CO 0.03 -0.34 0.25 -0.48 0.00 0.00 0.00 175.76 175.22 2kh2 s LEU 29 N 1.30 1.14 0.09 0.00 0.05 -0.80 -2.30 118.68 118.16 2kh2 s LEU 29 Ca 0.04 -0.60 -0.31 0.00 0.05 0.00 0.00 54.13 53.31 2kh2 s LEU 29 Cb -0.14 1.24 -0.10 0.00 -2.05 0.00 0.00 46.19 45.15 2kh2 s LEU 29 CO -0.07 -0.78 1.84 -1.00 -0.55 0.00 0.00 176.35 175.80 2kh2 s HIS 30 N -3.86 1.94 -0.54 3.48 3.76 -1.26 0.06 115.29 118.87 2kh2 s HIS 30 Ca 0.06 -0.10 0.07 0.00 -0.15 0.00 0.00 55.06 54.94 2kh2 s HIS 30 Cb 0.04 -4.16 0.27 0.00 1.11 0.00 0.00 32.58 29.83 2kh2 s HIS 30 CO -0.10 -4.91 0.70 -0.11 -0.85 0.00 0.00 174.74 169.47 2kh2 n LEU 31 N 6.22 2.55 -4.41 0.89 7.94 -1.17 -4.88 117.00 124.13 2kh2 n LEU 31 Ca 0.18 -5.22 -0.40 0.00 -1.11 0.00 0.00 56.01 49.47 2kh2 n LEU 31 Cb 0.39 -0.16 -0.11 0.00 0.53 0.00 0.00 43.42 44.07 2kh2 n LEU 31 CO 0.66 2.12 -0.17 -1.10 -1.11 0.00 0.00 177.39 177.78 2kh2 s GLN 32 N -2.20 3.06 0.00 1.96 -1.52 -1.26 -4.40 119.66 115.30 2kh2 s GLN 32 Ca 0.40 -0.92 0.00 0.00 -1.95 0.00 0.00 55.36 52.89 2kh2 s GLN 32 Cb 0.19 -3.69 0.00 0.00 -0.22 0.00 0.00 33.01 29.29 2kh2 s GLN 32 CO -0.06 -0.58 0.00 0.41 -0.25 0.00 0.00 175.29 174.80 2kh2 n GLY 33 N 5.01 0.79 0.00 3.09 0.00 -1.26 -4.83 105.19 107.98 2kh2 n GLY 33 Ca -0.13 -1.77 0.12 0.00 0.00 0.00 0.00 46.02 44.24 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 0.89 -0.00 1.61 -0.06 -1.26 -2.43 117.38 116.12 2kh2 n GLN 34 Ca 0.00 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.12 2kh2 n GLN 34 Cb 0.00 -1.42 0.20 0.00 -4.06 0.00 0.00 30.24 24.96 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 -0.92 2.65 0.02 1.69 2.03 -1.26 -4.31 116.55 116.46 2kh2 n ASP 35 Ca 0.18 -1.88 0.06 0.00 0.52 0.00 0.00 54.79 53.66 2kh2 n ASP 35 Cb 0.08 -0.00 0.47 0.00 -0.72 0.00 0.00 41.12 40.95 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 2kh2 h MET 36 N 4.15 0.43 0.00 -0.67 1.85 -1.68 -1.77 114.93 117.24 2kh2 h MET 36 Ca 0.00 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.06 2kh2 h MET 36 Cb 0.88 -0.10 0.00 0.00 0.43 0.00 0.00 31.60 32.81 2kh2 h MET 36 CO 0.00 0.29 0.00 0.39 -0.40 0.00 0.00 176.91 177.19 2kh2 n GLU 37 N -4.48 0.74 -0.03 0.39 -0.58 -1.26 -2.50 120.64 112.92 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 0.12 -1.09 0.30 0.00 -0.57 0.00 0.00 31.44 30.19 2kh2 n GLU 37 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2kh2 n GLN 38 N -0.59 2.05 -1.46 3.49 7.27 -0.67 -4.95 117.38 122.52 2kh2 n GLN 38 Ca 0.03 -1.53 -0.29 0.00 0.07 0.00 0.00 57.00 55.28 2kh2 n GLN 38 Cb 0.02 -1.47 0.13 0.00 2.41 0.00 0.00 30.24 31.32 2kh2 n GLN 38 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 2kh2 s GLN 39 N -1.93 1.39 0.03 3.69 -2.07 -1.04 -4.55 119.66 115.18 2kh2 s GLN 39 Ca 0.33 0.49 -0.17 0.00 -1.82 0.00 0.00 55.36 54.20 2kh2 s GLN 39 Cb 0.20 -1.85 -0.06 0.00 -1.09 0.00 0.00 33.01 30.21 2kh2 s GLN 39 CO 0.31 -2.07 0.47 0.08 -1.32 0.00 0.00 175.29 172.76 2kh2 s VAL 40 N -3.16 4.91 -0.22 3.63 1.01 0.15 -4.94 120.40 121.77 2kh2 s VAL 40 Ca 0.63 0.99 -0.07 0.00 0.00 0.00 0.00 61.98 63.52 2kh2 s VAL 40 Cb -0.15 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 2kh2 s VAL 40 CO 0.54 0.57 0.07 -0.69 0.00 0.00 0.00 175.10 175.59 2kh2 s VAL 41 N -1.08 4.50 -0.13 2.92 1.01 -1.26 -4.43 120.40 121.93 2kh2 s VAL 41 Ca 0.26 -0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 2kh2 s VAL 41 Cb -0.18 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 2kh2 s VAL 41 CO 0.16 0.38 0.08 -0.36 0.00 0.00 0.00 175.10 175.35 2kh2 s PHE 42 N 1.16 3.36 -0.24 5.22 0.08 -0.17 -1.64 117.98 125.75 2kh2 s PHE 42 Ca 0.04 0.30 -0.17 0.00 0.12 0.00 0.00 56.93 57.22 2kh2 s PHE 42 Cb -0.14 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.34 2kh2 s PHE 42 CO 0.03 0.48 0.48 -1.12 -0.10 0.00 0.00 175.22 175.00 2kh2 s SER 43 N -0.56 6.44 -0.56 1.36 0.01 0.69 -1.80 113.70 119.29 2kh2 s SER 43 Ca 0.11 0.52 -0.13 0.00 1.31 0.00 0.00 55.95 57.77 2kh2 s SER 43 Cb -0.12 -2.27 0.14 0.00 0.21 0.00 0.00 66.02 63.98 2kh2 s SER 43 CO 0.02 -0.22 0.48 -0.04 0.41 0.00 0.00 173.24 173.89 2kh2 s MET 44 N 1.99 2.88 0.16 12.44 1.00 0.19 -2.86 119.30 135.08 2kh2 s MET 44 Ca 0.21 -1.86 -0.23 0.00 0.00 0.00 0.00 55.69 53.81 2kh2 s MET 44 Cb -0.15 -4.17 -0.08 0.00 0.00 0.00 0.00 34.83 30.43 2kh2 s MET 44 CO 0.09 -1.27 0.72 -1.12 0.00 0.00 0.00 175.02 173.44 2kh2 s SER 45 N 2.99 7.26 -0.76 3.03 0.01 -1.16 -0.87 113.70 124.20 2kh2 s SER 45 Ca 0.06 1.53 -0.26 0.00 1.31 0.00 0.00 55.95 58.59 2kh2 s SER 45 Cb -0.26 -2.46 0.04 0.00 0.21 0.00 0.00 66.02 63.56 2kh2 s SER 45 CO -0.00 0.19 1.25 -0.36 0.41 0.00 0.00 173.24 174.73 2kh2 s PHE 46 N -1.21 2.38 0.59 2.43 0.08 -0.16 -1.23 117.98 120.87 2kh2 s PHE 46 Ca 0.36 -0.24 -0.01 0.00 0.12 0.00 0.00 56.93 57.16 2kh2 s PHE 46 Cb -0.21 -4.58 0.04 0.00 -0.57 0.00 0.00 43.02 37.70 2kh2 s PHE 46 CO 0.24 -1.99 0.84 0.14 -0.10 0.00 0.00 175.22 174.35 2kh2 s VAL 47 N 5.34 2.60 -0.42 -0.44 -7.23 -0.92 -4.71 120.40 114.61 2kh2 s VAL 47 Ca 0.34 -0.55 -0.15 0.00 -1.81 0.00 0.00 61.98 59.82 2kh2 s VAL 47 Cb -0.08 -3.01 0.04 0.00 0.56 0.00 0.00 36.38 33.88 2kh2 s VAL 47 CO 0.11 -0.01 0.32 -1.58 -0.31 0.00 0.00 175.10 173.63 2kh2 s GLN 48 N -4.89 2.95 0.00 4.82 2.00 -0.88 -4.71 119.66 118.96 2kh2 s GLN 48 Ca 0.58 -1.13 0.00 0.00 -2.00 0.00 0.00 55.36 52.81 2kh2 s GLN 48 Cb -0.10 -4.00 0.00 0.00 0.80 0.00 0.00 33.01 29.71 2kh2 s GLN 48 CO 0.40 -0.83 0.00 0.41 -0.50 0.00 0.00 175.29 174.77 2kh2 n GLY 49 N 5.15 2.54 3.62 2.59 0.00 -1.26 -4.90 105.19 112.93 2kh2 n GLY 49 Ca -0.11 0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2kh2 n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kh2 s GLU 50 N 4.61 3.68 0.03 1.61 8.01 -1.26 -4.93 118.70 130.45 2kh2 s GLU 50 Ca 0.00 1.54 0.07 0.00 0.01 0.00 0.00 54.97 56.59 2kh2 s GLU 50 Cb 0.00 -4.07 -0.02 0.00 -4.31 0.00 0.00 34.13 25.73 2kh2 s GLU 50 CO 0.00 -1.43 -0.20 -2.00 0.01 0.00 0.00 175.26 171.64 2kh2 s GLU 51 N 4.90 1.40 0.00 1.61 2.12 -1.26 -3.22 118.70 124.25 2kh2 s GLU 51 Ca 0.72 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 55.18 2kh2 s GLU 51 Cb -0.23 -1.47 0.00 0.00 0.26 0.00 0.00 34.13 32.69 2kh2 s GLU 51 CO 0.30 0.38 0.00 -1.13 -0.54 0.00 0.00 175.26 174.27 2kh2 n SER 52 N 2.02 0.00 -0.18 -1.70 3.41 -0.10 -4.97 113.62 112.10 2kh2 n SER 52 Ca -0.17 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.58 2kh2 n SER 52 Cb 0.53 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 65.00 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 0.72 0.00 4.04 5.15 -1.26 -4.39 115.26 119.51 2kh2 n ASN 53 Ca 0.00 -0.73 0.00 0.00 -0.60 0.00 0.00 54.58 53.25 2kh2 n ASN 53 Cb 0.00 0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 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 -0.80 0.00 -4.57 1.20 5.75 -1.26 -5.05 116.55 111.82 2kh2 n ASP 54 Ca 0.14 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.50 2kh2 n ASP 54 Cb 0.31 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.33 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 -1.00 3.66 -0.11 0.11 2.20 -1.25 -3.90 119.74 119.45 2kh2 s LYS 55 Ca 0.00 0.05 0.02 0.00 -0.36 0.00 0.00 55.97 55.68 2kh2 s LYS 55 Cb 0.00 -3.82 -0.01 0.00 -1.51 0.00 0.00 37.83 32.50 2kh2 s LYS 55 CO 0.00 -0.76 -0.19 0.42 -0.36 0.00 0.00 175.35 174.47 2kh2 s ILE 56 N 2.73 2.54 -0.40 5.43 -1.09 -1.03 -0.92 121.20 128.47 2kh2 s ILE 56 Ca 0.25 -0.85 -0.29 0.00 -2.23 0.00 0.00 60.65 57.53 2kh2 s ILE 56 Cb -0.14 -2.02 0.02 0.00 -1.58 0.00 0.00 42.46 38.74 2kh2 s ILE 56 CO 0.15 0.55 1.16 -2.16 -1.23 0.00 0.00 174.94 173.41 2kh2 s PRO 57 N 0.28 3.84 0.09 2.79 0.04 -1.20 -1.35 135.00 139.49 2kh2 s PRO 57 Ca -0.13 0.83 0.03 0.00 0.04 0.00 0.00 61.00 61.77 2kh2 s PRO 57 Cb -0.17 -3.86 -0.04 0.00 0.04 0.00 0.00 34.50 30.48 2kh2 s PRO 57 CO 0.07 -1.22 -0.09 0.14 0.04 0.00 0.00 177.00 175.93 2kh2 s VAL 58 N 4.29 0.87 0.10 -0.36 -7.23 -0.53 -2.16 120.40 115.37 2kh2 s VAL 58 Ca 0.49 -1.61 -0.06 0.00 -1.81 0.00 0.00 61.98 58.99 2kh2 s VAL 58 Cb -0.10 -1.32 -0.05 0.00 0.56 0.00 0.00 36.38 35.47 2kh2 s VAL 58 CO 0.26 -0.57 0.35 0.00 -0.31 0.00 0.00 175.10 174.82 2kh2 s ALA 59 N -2.46 3.80 -0.31 1.32 0.00 -0.36 -1.25 121.76 122.51 2kh2 s ALA 59 Ca 0.04 -0.54 0.03 0.00 0.00 0.00 0.00 51.96 51.49 2kh2 s ALA 59 Cb -0.03 -2.13 0.09 0.00 0.00 0.00 0.00 23.12 21.05 2kh2 s ALA 59 CO -0.00 0.65 0.01 -0.51 0.00 0.00 0.00 175.76 175.91 2kh2 s LEU 60 N -2.30 3.99 0.15 0.00 1.43 -1.26 -2.98 118.68 117.72 2kh2 s LEU 60 Ca 0.36 -1.85 0.03 0.00 -1.03 0.00 0.00 54.13 51.64 2kh2 s LEU 60 Cb -0.13 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.57 2kh2 s LEU 60 CO 0.22 -0.33 -0.04 -0.83 0.23 0.00 0.00 176.35 175.59 2kh2 s GLY 61 N 1.07 1.09 0.22 -3.19 0.00 -1.14 -0.42 107.32 104.96 2kh2 s GLY 61 Ca 0.05 -1.52 -0.30 0.00 0.00 0.00 0.00 44.72 42.96 2kh2 s GLY 61 CO -0.09 -1.54 1.11 1.08 0.00 0.00 0.00 173.10 173.66 2kh2 s LEU 62 N -3.15 4.51 0.39 0.66 1.02 0.53 -0.22 118.68 122.42 2kh2 s LEU 62 Ca 0.19 2.17 -0.28 0.00 0.02 0.00 0.00 54.13 56.23 2kh2 s LEU 62 Cb 0.05 -3.61 -0.11 0.00 0.02 0.00 0.00 46.19 42.54 2kh2 s LEU 62 CO 0.01 -0.20 1.48 1.17 0.02 0.00 0.00 176.35 178.84 2kh2 n LYS 63 N 1.94 2.64 -2.58 1.70 4.81 -0.65 -2.58 118.16 123.43 2kh2 n LYS 63 Ca 0.01 0.93 -0.12 0.00 -0.87 0.00 0.00 58.31 58.26 2kh2 n LYS 63 Cb 0.45 -2.67 -0.00 0.00 0.02 0.00 0.00 35.03 32.83 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 0.37 -2.51 -4.12 1.64 0.28 -1.26 -4.93 120.64 110.11 2kh2 n GLU 64 Ca 0.02 0.50 -0.10 0.00 -0.16 0.00 0.00 57.16 57.41 2kh2 n GLU 64 Cb 0.39 -5.10 -0.09 0.00 1.43 0.00 0.00 31.44 28.07 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 -5.17 1.07 -0.19 3.44 1.02 -1.07 -5.04 119.74 113.81 2kh2 s LYS 65 Ca 0.06 -1.43 0.16 0.00 0.02 0.00 0.00 55.97 54.77 2kh2 s LYS 65 Cb -0.03 0.28 0.73 0.00 -0.52 0.00 0.00 37.83 38.29 2kh2 s LYS 65 CO 0.07 -0.34 1.65 0.27 -0.92 0.00 0.00 175.35 176.08 2kh2 n ASN 66 N -0.18 5.07 -4.58 2.83 6.94 -1.26 -4.67 115.26 119.42 2kh2 n ASN 66 Ca -0.04 -2.80 -0.41 0.00 -0.02 0.00 0.00 54.58 51.32 2kh2 n ASN 66 Cb 0.64 -0.62 -0.08 0.00 -2.36 0.00 0.00 39.78 37.36 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 -2.49 4.25 0.09 -4.53 1.43 -1.26 -2.26 118.68 113.91 2kh2 s LEU 67 Ca 0.51 0.14 0.09 0.00 -1.03 0.00 0.00 54.13 53.84 2kh2 s LEU 67 Cb 0.37 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 2kh2 s LEU 67 CO 0.17 -0.42 -0.24 -0.31 0.23 0.00 0.00 176.35 175.78 2kh2 s TYR 68 N 2.37 2.03 -0.02 0.29 1.51 -0.21 -0.35 117.35 122.98 2kh2 s TYR 68 Ca 0.19 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.56 2kh2 s TYR 68 Cb -0.15 -1.13 -0.05 0.00 -0.11 0.00 0.00 41.96 40.52 2kh2 s TYR 68 CO 0.12 0.22 1.29 -0.51 -1.11 0.00 0.00 175.55 175.56 2kh2 s LEU 69 N -1.76 4.30 -0.02 -1.29 1.43 0.44 -0.85 118.68 120.93 2kh2 s LEU 69 Ca 0.10 1.97 0.06 0.00 -1.03 0.00 0.00 54.13 55.23 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 0.04 -0.63 -0.21 -0.55 0.23 0.00 0.00 176.35 175.24 2kh2 s SER 70 N 1.59 2.44 -0.27 2.29 0.15 0.65 -4.47 113.70 116.08 2kh2 s SER 70 Ca 0.60 -0.38 -0.06 0.00 0.70 0.00 0.00 55.95 56.81 2kh2 s SER 70 Cb -0.28 -0.36 0.00 0.00 -1.71 0.00 0.00 66.02 63.67 2kh2 s SER 70 CO 0.25 0.24 0.04 0.00 1.20 0.00 0.00 173.24 174.97 2kh2 s VAL 72 N 1.49 0.11 -0.32 0.00 -7.23 -0.75 -4.69 120.40 109.02 2kh2 s VAL 72 Ca 0.03 -1.96 -0.17 0.00 -1.81 0.00 0.00 61.98 58.08 2kh2 s VAL 72 Cb -0.16 -2.27 -0.01 0.00 0.56 0.00 0.00 36.38 34.49 2kh2 s VAL 72 CO 0.01 -0.25 0.47 -0.76 -0.31 0.00 0.00 175.10 174.27 2kh2 s LEU 73 N -3.12 4.26 -0.07 1.32 1.43 -1.26 0.04 118.68 121.28 2kh2 s LEU 73 Ca 0.31 0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.51 2kh2 s LEU 73 Cb 0.07 -2.54 0.02 0.00 0.03 0.00 0.00 46.19 43.77 2kh2 s LEU 73 CO 0.07 -0.39 -0.09 -0.54 0.23 0.00 0.00 176.35 175.63 2kh2 s LYS 74 N 2.29 1.46 -1.32 1.70 1.02 0.20 -4.76 119.74 120.33 2kh2 s LYS 74 Ca 0.18 -0.31 -0.06 0.00 0.02 0.00 0.00 55.97 55.80 2kh2 s LYS 74 Cb -0.16 -1.31 0.01 0.00 -0.52 0.00 0.00 37.83 35.85 2kh2 s LYS 74 CO 0.12 -0.06 1.11 -3.47 -0.92 0.00 0.00 175.35 172.13 2kh2 n ASP 75 N 4.11 -4.86 -1.48 2.83 -0.08 -1.26 -1.53 116.55 114.28 2kh2 n ASP 75 Ca -0.21 -0.58 -0.19 0.00 -1.51 0.00 0.00 54.79 52.30 2kh2 n ASP 75 Cb 0.51 -5.00 -0.08 0.00 2.34 0.00 0.00 41.12 38.89 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 -3.05 -5.50 -3.82 1.67 9.92 -1.26 -4.97 116.55 109.54 2kh2 n ASP 76 Ca -0.09 0.48 -0.18 0.00 -0.53 0.00 0.00 54.79 54.47 2kh2 n ASP 76 Cb 0.60 -4.71 -0.16 0.00 -0.64 0.00 0.00 41.12 36.21 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 -3.63 0.35 0.00 -1.24 2.47 -0.58 -5.11 119.74 111.99 2kh2 s LYS 77 Ca 0.00 0.07 -0.30 0.00 -1.56 0.00 0.00 55.97 54.18 2kh2 s LYS 77 Cb 0.00 -0.53 -0.07 0.00 -1.46 0.00 0.00 37.83 35.77 2kh2 s LYS 77 CO 0.00 -0.14 1.76 -2.14 0.16 0.00 0.00 175.35 174.99 2kh2 s PRO 78 N 1.07 4.17 0.14 4.03 0.02 -1.26 -0.63 135.00 142.54 2kh2 s PRO 78 Ca -0.09 2.36 0.05 0.00 0.02 0.00 0.00 61.00 63.34 2kh2 s PRO 78 Cb -0.14 -3.97 -0.04 0.00 0.02 0.00 0.00 34.50 30.38 2kh2 s PRO 78 CO -0.02 -0.86 -0.12 0.95 -0.33 0.00 0.00 177.00 176.62 2kh2 s THR 79 N 3.90 1.24 -0.02 0.99 -4.23 0.11 -4.73 115.64 112.89 2kh2 s THR 79 Ca 0.78 -1.89 -0.08 0.00 -1.18 0.00 0.00 61.69 59.33 2kh2 s THR 79 Cb -0.38 -1.68 -0.05 0.00 1.34 0.00 0.00 72.50 71.74 2kh2 s THR 79 CO 0.34 -0.59 0.26 -0.22 -0.54 0.00 0.00 174.62 173.87 2kh2 s LEU 80 N -2.82 4.39 0.29 4.79 2.96 -1.26 -1.80 118.68 125.23 2kh2 s LEU 80 Ca 0.13 0.60 -0.10 0.00 -0.22 0.00 0.00 54.13 54.53 2kh2 s LEU 80 Cb -0.01 -2.51 0.01 0.00 0.50 0.00 0.00 46.19 44.17 2kh2 s LEU 80 CO 0.02 0.30 0.52 0.00 -1.32 0.00 0.00 176.35 175.87 2kh2 s GLN 81 N -1.48 1.74 -0.23 1.98 -2.07 0.07 -4.91 119.66 114.76 2kh2 s GLN 81 Ca 0.24 -1.41 -0.05 0.00 -1.82 0.00 0.00 55.36 52.32 2kh2 s GLN 81 Cb -0.13 0.48 -0.01 0.00 -1.09 0.00 0.00 33.01 32.26 2kh2 s GLN 81 CO 0.13 -0.74 0.00 -0.51 -1.32 0.00 0.00 175.29 172.85 2kh2 s LEU 82 N -3.08 3.12 -0.13 2.60 2.01 -1.26 -0.25 118.68 121.69 2kh2 s LEU 82 Ca 0.24 -0.34 -0.03 0.00 0.01 0.00 0.00 54.13 54.01 2kh2 s LEU 82 Cb -0.01 -1.81 -0.03 0.00 0.01 0.00 0.00 46.19 44.35 2kh2 s LEU 82 CO 0.12 -0.03 -0.02 -1.61 1.01 0.00 0.00 176.35 175.82 2kh2 s GLU 83 N 1.53 3.43 -1.09 1.70 2.02 -0.03 -4.90 118.70 121.35 2kh2 s GLU 83 Ca 0.06 -0.47 -0.11 0.00 0.02 0.00 0.00 54.97 54.47 2kh2 s GLU 83 Cb -0.15 -2.88 0.25 0.00 0.10 0.00 0.00 34.13 31.45 2kh2 s GLU 83 CO -0.01 0.41 1.13 -1.12 0.02 0.00 0.00 175.26 175.70 2kh2 s SER 84 N -0.09 7.18 0.74 -0.19 0.01 -1.26 -1.05 113.70 119.04 2kh2 s SER 84 Ca 0.03 -3.32 -0.11 0.00 1.31 0.00 0.00 55.95 53.86 2kh2 s SER 84 Cb -0.13 -2.25 0.03 0.00 0.21 0.00 0.00 66.02 63.88 2kh2 s SER 84 CO 0.02 -0.44 1.08 0.68 0.41 0.00 0.00 173.24 174.99 2kh2 s VAL 85 N -0.41 3.63 -0.15 3.43 -7.23 -0.96 -4.93 120.40 113.79 2kh2 s VAL 85 Ca 0.31 0.53 -0.37 0.00 -1.81 0.00 0.00 61.98 60.65 2kh2 s VAL 85 Cb -0.08 -3.26 -0.14 0.00 0.56 0.00 0.00 36.38 33.45 2kh2 s VAL 85 CO -0.07 -0.69 1.79 -0.67 -0.31 0.00 0.00 175.10 175.15 2kh2 n ASP 86 N -3.26 2.93 0.03 4.85 2.03 -1.26 -4.83 116.55 117.04 2kh2 n ASP 86 Ca 0.07 1.03 0.08 0.00 0.52 0.00 0.00 54.79 56.49 2kh2 n ASP 86 Cb 0.55 -1.27 0.35 0.00 -0.72 0.00 0.00 41.12 40.02 2kh2 n ASP 86 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2kh2 n PRO 87 N 5.81 0.04 -0.00 -0.67 -0.04 -1.26 -2.03 135.00 136.85 2kh2 n PRO 87 Ca 0.24 0.29 0.07 0.00 -0.04 0.00 0.00 63.50 64.06 2kh2 n PRO 87 Cb 0.22 -1.58 -0.10 0.00 -0.04 0.00 0.00 33.50 32.00 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 -1.66 1.28 -0.09 0.54 2.85 -1.26 -4.36 118.16 115.46 2kh2 n LYS 88 Ca 0.03 -0.07 0.09 0.00 -1.05 0.00 0.00 58.31 57.30 2kh2 n LYS 88 Cb 0.18 -1.26 0.13 0.00 -0.65 0.00 0.00 35.03 33.42 2kh2 n LYS 88 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2kh2 n ASN 89 N -1.71 2.77 -4.03 -5.58 3.02 -1.11 -4.96 115.26 103.66 2kh2 n ASN 89 Ca -0.00 -1.81 -0.11 0.00 -0.03 0.00 0.00 54.58 52.63 2kh2 n ASN 89 Cb 0.31 -0.12 -0.11 0.00 -0.61 0.00 0.00 39.78 39.25 2kh2 n ASN 89 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2kh2 s TYR 90 N -1.29 0.49 0.37 3.10 1.51 -0.86 -4.63 117.35 116.04 2kh2 s TYR 90 Ca 0.25 -0.57 -0.04 0.00 -1.01 0.00 0.00 57.07 55.70 2kh2 s TYR 90 Cb 0.16 -0.31 0.08 0.00 -0.11 0.00 0.00 41.96 41.78 2kh2 s TYR 90 CO 0.22 -0.15 0.50 -0.35 -1.11 0.00 0.00 175.55 174.67 2kh2 n PRO 91 N 1.36 -0.17 -3.93 -1.71 -0.04 -1.26 -4.75 135.00 124.50 2kh2 n PRO 91 Ca -0.22 -1.00 -0.09 0.00 -0.04 0.00 0.00 63.50 62.14 2kh2 n PRO 91 Cb 0.55 -0.45 -0.05 0.00 -0.04 0.00 0.00 33.50 33.51 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 -3.93 1.46 0.05 0.54 -2.85 -1.26 -5.07 119.74 108.68 2kh2 s LYS 92 Ca 0.30 -1.14 -0.19 0.00 -1.00 0.00 0.00 55.97 53.94 2kh2 s LYS 92 Cb -0.01 0.47 -0.14 0.00 -2.06 0.00 0.00 37.83 36.09 2kh2 s LYS 92 CO 0.21 -0.60 1.32 -0.22 0.10 0.00 0.00 175.35 176.16 2kh2 h LYS 93 N 2.28 0.46 -3.84 1.78 3.64 -1.96 -3.37 116.57 115.56 2kh2 h LYS 93 Ca -0.27 -0.28 -0.79 0.00 -1.27 0.00 0.00 60.65 58.04 2kh2 h LYS 93 Cb 1.25 0.03 -0.26 0.00 -0.41 0.00 0.00 32.23 32.84 2kh2 h LYS 93 CO 0.37 0.87 0.23 0.21 -2.27 0.00 0.00 179.45 178.86 2kh2 s LYS 94 N -4.13 3.75 0.84 1.90 2.47 -1.26 -2.07 119.74 121.24 2kh2 s LYS 94 Ca -0.13 -2.61 -0.08 0.00 -1.56 0.00 0.00 55.97 51.59 2kh2 s LYS 94 Cb 0.06 -4.49 0.16 0.00 -1.46 0.00 0.00 37.83 32.10 2kh2 s LYS 94 CO 0.79 -1.31 1.15 -1.64 0.16 0.00 0.00 175.35 174.50 2kh2 s MET 95 N -0.03 1.20 0.41 4.03 -1.94 -1.26 -5.05 119.30 116.67 2kh2 s MET 95 Ca 0.22 -0.76 -0.24 0.00 -1.71 0.00 0.00 55.69 53.20 2kh2 s MET 95 Cb -0.10 -2.10 -0.09 0.00 2.01 0.00 0.00 34.83 34.56 2kh2 s MET 95 CO -0.09 -1.90 1.09 -1.21 -0.01 0.00 0.00 175.02 172.90 2kh2 s GLU 96 N -5.50 4.06 0.62 2.03 8.01 -1.26 -4.92 118.70 121.74 2kh2 s GLU 96 Ca 0.70 1.61 0.36 0.00 0.01 0.00 0.00 54.97 57.65 2kh2 s GLU 96 Cb -0.05 -2.53 2.06 0.00 -4.31 0.00 0.00 34.13 29.31 2kh2 s GLU 96 CO 0.48 -0.26 2.30 -0.22 0.01 0.00 0.00 175.26 177.58 2kh2 h LYS 97 N 2.42 0.00 0.00 1.61 3.64 -1.96 0.11 116.57 122.38 2kh2 h LYS 97 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2kh2 h LYS 97 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2kh2 h LYS 97 CO 0.62 0.00 0.00 2.89 -2.27 0.00 0.00 179.45 180.69 2kh2 n ARG 98 N -3.55 0.13 -0.02 1.90 1.85 -1.26 -2.54 116.66 113.18 2kh2 n ARG 98 Ca -0.03 0.11 0.03 0.00 -1.00 0.00 0.00 57.85 56.95 2kh2 n ARG 98 Cb 0.08 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 30.02 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 -1.41 0.04 -3.47 2.89 3.72 0.36 -0.73 117.46 118.87 2kh2 n PHE 99 Ca 0.07 -0.10 -0.38 0.00 -0.05 0.00 0.00 57.45 56.99 2kh2 n PHE 99 Cb 0.22 -0.01 -0.09 0.00 -0.94 0.00 0.00 39.48 38.66 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 -0.55 5.23 0.12 -4.37 1.01 -1.05 -4.07 120.40 116.72 2kh2 s VAL 100 Ca 0.07 0.46 0.07 0.00 0.00 0.00 0.00 61.98 62.58 2kh2 s VAL 100 Cb 0.05 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2kh2 s VAL 100 CO 0.07 0.21 -0.09 -0.36 0.00 0.00 0.00 175.10 174.93 2kh2 s PHE 101 N 1.77 2.73 -0.39 5.22 0.40 -0.38 -2.24 117.98 125.09 2kh2 s PHE 101 Ca 0.13 -0.17 -0.09 0.00 -0.60 0.00 0.00 56.93 56.20 2kh2 s PHE 101 Cb -0.15 -1.41 0.05 0.00 0.51 0.00 0.00 43.02 42.02 2kh2 s PHE 101 CO 0.09 0.44 0.21 -0.80 0.70 0.00 0.00 175.22 175.86 2kh2 s ASN 102 N -2.34 5.62 -0.64 1.36 0.02 0.25 -1.45 114.94 117.76 2kh2 s ASN 102 Ca 0.22 -1.22 -0.27 0.00 -1.02 0.00 0.00 52.86 50.57 2kh2 s ASN 102 Cb -0.11 -1.98 0.02 0.00 0.02 0.00 0.00 41.25 39.20 2kh2 s ASN 102 CO 0.14 -0.43 1.40 -0.75 0.02 0.00 0.00 177.10 177.48 2kh2 s LYS 103 N 1.48 3.19 0.05 -0.60 2.20 -0.45 -1.01 119.74 124.59 2kh2 s LYS 103 Ca 0.02 0.18 -0.15 0.00 -0.36 0.00 0.00 55.97 55.66 2kh2 s LYS 103 Cb -0.21 -4.17 -0.06 0.00 -1.51 0.00 0.00 37.83 31.88 2kh2 s LYS 103 CO 0.04 -2.10 0.47 0.42 -0.36 0.00 0.00 175.35 173.81 2kh2 s ILE 104 N 6.24 4.94 -0.50 5.43 1.01 0.81 -2.45 121.20 136.68 2kh2 s ILE 104 Ca 0.47 0.88 0.03 0.00 0.00 0.00 0.00 60.65 62.03 2kh2 s ILE 104 Cb -0.10 -3.75 0.15 0.00 0.01 0.00 0.00 42.46 38.77 2kh2 s ILE 104 CO 0.20 0.49 0.32 -1.61 0.00 0.00 0.00 174.94 174.35 2kh2 s GLU 105 N -1.32 1.52 0.10 2.79 2.02 -1.25 -0.51 118.70 122.05 2kh2 s GLU 105 Ca 0.28 -2.38 -0.19 0.00 0.02 0.00 0.00 54.97 52.70 2kh2 s GLU 105 Cb -0.17 -2.44 -0.07 0.00 0.10 0.00 0.00 34.13 31.55 2kh2 s GLU 105 CO 0.16 -1.24 1.64 -0.84 0.02 0.00 0.00 175.26 175.00 2kh2 h ILE 106 N 4.91 1.17 0.00 -1.63 3.07 -1.95 -3.48 117.51 119.60 2kh2 h ILE 106 Ca 0.09 -0.53 0.00 0.00 1.55 0.00 0.00 64.86 65.97 2kh2 h ILE 106 Cb 0.88 1.07 0.00 0.00 -0.27 0.00 0.00 36.82 38.50 2kh2 h ILE 106 CO 0.52 0.17 0.00 -0.46 -1.05 0.00 0.00 178.15 177.34 2kh2 n ASN 107 N -4.79 0.00 -0.94 2.16 0.23 -1.26 -4.98 115.26 105.68 2kh2 n ASN 107 Ca -0.03 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.13 2kh2 n ASN 107 Cb 0.13 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 37.96 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 3.01 -4.35 0.53 4.05 -1.26 -4.90 115.26 112.33 2kh2 n ASN 108 Ca 0.00 -1.92 -0.29 0.00 0.45 0.00 0.00 54.58 52.81 2kh2 n ASN 108 Cb 0.00 -0.09 -0.14 0.00 1.23 0.00 0.00 39.78 40.78 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 2kh2 s LYS 109 N -1.65 1.59 0.04 1.20 -0.14 -1.26 -4.93 119.74 114.60 2kh2 s LYS 109 Ca 0.29 -1.19 0.08 0.00 -1.36 0.00 0.00 55.97 53.79 2kh2 s LYS 109 Cb 0.19 -1.89 -0.03 0.00 -1.68 0.00 0.00 37.83 34.42 2kh2 s LYS 109 CO 0.28 0.47 -0.20 -0.48 -0.76 0.00 0.00 175.35 174.66 2kh2 s LEU 110 N -1.57 2.52 0.15 3.17 2.34 -0.83 -3.47 118.68 120.99 2kh2 s LEU 110 Ca 0.12 -0.46 0.11 0.00 0.06 0.00 0.00 54.13 53.96 2kh2 s LEU 110 Cb -0.10 -1.47 -0.04 0.00 -0.56 0.00 0.00 46.19 44.02 2kh2 s LEU 110 CO 0.04 0.26 -0.25 -1.61 -1.06 0.00 0.00 176.35 173.72 2kh2 s GLU 111 N -1.41 1.39 -0.36 1.48 2.02 0.33 -0.26 118.70 121.89 2kh2 s GLU 111 Ca 0.14 -1.38 -0.03 0.00 0.02 0.00 0.00 54.97 53.72 2kh2 s GLU 111 Cb -0.10 -1.78 0.08 0.00 0.10 0.00 0.00 34.13 32.42 2kh2 s GLU 111 CO 0.05 0.41 0.12 -0.06 0.02 0.00 0.00 175.26 175.79 2kh2 s PHE 112 N -1.30 3.42 0.17 1.61 0.08 -1.26 -0.13 117.98 120.56 2kh2 s PHE 112 Ca 0.15 -2.07 -0.06 0.00 0.12 0.00 0.00 56.93 55.07 2kh2 s PHE 112 Cb -0.09 -2.68 -0.06 0.00 -0.57 0.00 0.00 43.02 39.62 2kh2 s PHE 112 CO 0.07 -0.87 0.43 -2.00 -0.10 0.00 0.00 175.22 172.74 2kh2 s GLU 113 N 1.22 3.68 -0.11 0.44 2.12 -0.18 -1.27 118.70 124.60 2kh2 s GLU 113 Ca 0.02 0.02 -0.21 0.00 0.36 0.00 0.00 54.97 55.17 2kh2 s GLU 113 Cb -0.21 -2.79 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 2kh2 s GLU 113 CO -0.02 0.43 0.59 0.45 -0.54 0.00 0.00 175.26 176.17 2kh2 s SER 114 N -2.39 6.81 0.25 -1.70 0.15 0.00 0.85 113.70 117.67 2kh2 s SER 114 Ca 0.43 0.97 0.05 0.00 0.70 0.00 0.00 55.95 58.10 2kh2 s SER 114 Cb -0.12 -2.35 0.30 0.00 -1.71 0.00 0.00 66.02 62.15 2kh2 s SER 114 CO 0.23 -0.09 1.60 0.00 1.20 0.00 0.00 173.24 176.18 2kh2 h ALA 115 N 6.87 0.92 -0.55 5.45 0.00 -1.70 -2.98 119.26 127.27 2kh2 h ALA 115 Ca -0.39 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 53.97 2kh2 h ALA 115 Cb 1.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2kh2 h ALA 115 CO 0.76 0.70 0.22 0.37 0.00 0.00 0.00 179.25 181.30 2kh2 h GLN 116 N 0.17 0.83 -3.81 0.00 5.75 -1.75 -3.38 115.11 112.91 2kh2 h GLN 116 Ca -0.00 -0.15 -0.61 0.00 -0.15 0.00 0.00 58.65 57.74 2kh2 h GLN 116 Cb 1.04 -0.13 -0.40 0.00 1.07 0.00 0.00 27.48 29.05 2kh2 h GLN 116 CO 0.09 0.71 -0.74 -0.06 -2.65 0.00 0.00 178.83 176.18 2kh2 s PHE 117 N -5.56 2.41 0.33 3.99 0.08 -1.13 -5.08 117.98 113.01 2kh2 s PHE 117 Ca -0.13 -2.26 -0.29 0.00 0.12 0.00 0.00 56.93 54.37 2kh2 s PHE 117 Cb 0.12 -2.14 -0.11 0.00 -0.57 0.00 0.00 43.02 40.32 2kh2 s PHE 117 CO 0.79 -0.88 1.53 -2.14 -0.10 0.00 0.00 175.22 174.42 2kh2 s PRO 118 N 1.17 4.13 0.00 0.24 0.02 -1.20 -2.02 135.00 137.33 2kh2 s PRO 118 Ca 0.11 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.69 2kh2 s PRO 118 Cb -0.19 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.33 2kh2 s PRO 118 CO -0.16 -0.57 0.00 0.09 -0.33 0.00 0.00 177.00 176.03 2kh2 n ASN 119 N 1.35 -0.12 -4.30 2.53 5.03 -1.26 -5.00 115.26 113.48 2kh2 n ASN 119 Ca 0.05 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.09 2kh2 n ASN 119 Cb 0.38 -0.02 -0.10 0.00 -1.02 0.00 0.00 39.78 39.03 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 -3.61 3.31 0.10 3.10 0.52 -0.86 -4.27 118.94 117.24 2kh2 s TRP 120 Ca 0.00 -1.36 0.04 0.00 0.02 0.00 0.00 56.10 54.80 2kh2 s TRP 120 Cb 0.00 -2.92 -0.04 0.00 -1.15 0.00 0.00 33.47 29.36 2kh2 s TRP 120 CO 0.00 -0.81 0.06 0.71 0.02 0.00 0.00 176.95 176.92 2kh2 s TYR 121 N 1.47 3.10 -0.11 -1.98 1.51 0.81 -0.82 117.35 121.33 2kh2 s TYR 121 Ca 0.03 0.02 -0.29 0.00 -1.01 0.00 0.00 57.07 55.81 2kh2 s TYR 121 Cb -0.23 -1.56 -0.04 0.00 -0.11 0.00 0.00 41.96 40.02 2kh2 s TYR 121 CO 0.03 0.51 1.53 0.42 -1.11 0.00 0.00 175.55 176.93 2kh2 s ILE 122 N -1.44 3.81 0.31 2.71 1.01 -0.39 -0.05 121.20 127.15 2kh2 s ILE 122 Ca 0.28 0.97 0.03 0.00 0.00 0.00 0.00 60.65 61.93 2kh2 s ILE 122 Cb -0.12 -3.65 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 2kh2 s ILE 122 CO 0.21 -0.11 0.11 -0.94 0.00 0.00 0.00 174.94 174.21 2kh2 s SER 123 N 3.02 1.76 -0.16 3.58 1.04 0.20 -4.64 113.70 118.50 2kh2 s SER 123 Ca 0.67 -1.48 -0.16 0.00 0.48 0.00 0.00 55.95 55.47 2kh2 s SER 123 Cb -0.29 0.23 0.04 0.00 0.10 0.00 0.00 66.02 66.11 2kh2 s SER 123 CO 0.25 -0.78 0.45 -0.89 0.98 0.00 0.00 173.24 173.24 2kh2 s THR 124 N -3.54 0.00 1.00 2.02 2.01 -1.04 -1.88 115.64 114.21 2kh2 s THR 124 Ca 0.35 -0.01 -0.12 0.00 0.31 0.00 0.00 61.69 62.22 2kh2 s THR 124 Cb 0.06 -0.64 0.19 0.00 0.01 0.00 0.00 72.50 72.13 2kh2 s THR 124 CO 0.15 -0.01 1.08 -0.44 -0.69 0.00 0.00 174.62 174.72 2kh2 s SER 125 N 0.18 2.50 0.33 3.53 0.01 -1.26 -1.10 113.70 117.90 2kh2 s SER 125 Ca -0.00 1.44 0.13 0.00 1.31 0.00 0.00 55.95 58.82 2kh2 s SER 125 Cb -0.03 -2.12 0.58 0.00 0.21 0.00 0.00 66.02 64.66 2kh2 s SER 125 CO 0.01 -3.24 1.73 1.56 0.41 0.00 0.00 173.24 173.71 2kh2 h GLN 126 N -1.96 0.00 -6.93 12.44 1.08 -1.97 -3.45 115.11 114.31 2kh2 h GLN 126 Ca -0.54 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.10 2kh2 h GLN 126 Cb 1.31 0.00 0.15 0.00 -0.05 0.00 0.00 27.48 28.89 2kh2 h GLN 126 CO 0.54 0.47 0.41 0.00 -0.95 0.00 0.00 178.83 179.29 2kh2 n ALA 127 N -2.42 0.98 -1.77 3.87 0.00 -1.26 -4.97 120.51 114.94 2kh2 n ALA 127 Ca -0.01 0.10 -0.39 0.00 0.00 0.00 0.00 53.44 53.14 2kh2 n ALA 127 Cb 0.50 -2.25 -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 -2.77 4.67 -1.01 0.00 2.56 -1.26 -3.69 118.70 117.20 2kh2 s GLU 128 Ca 0.72 1.47 -0.00 0.00 0.00 0.00 0.00 54.97 57.17 2kh2 s GLU 128 Cb -0.43 -3.03 0.00 0.00 2.00 0.00 0.00 34.13 32.67 2kh2 s GLU 128 CO 0.49 0.33 0.04 -1.71 -0.56 0.00 0.00 175.26 173.85 2kh2 n ASN 129 N 0.98 -3.86 -4.83 -1.70 5.15 -0.97 -5.01 115.26 105.01 2kh2 n ASN 129 Ca 0.00 -0.03 -0.38 0.00 -0.60 0.00 0.00 54.58 53.57 2kh2 n ASN 129 Cb 0.48 -3.04 -0.06 0.00 -0.53 0.00 0.00 39.78 36.63 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 -4.66 3.89 0.97 1.20 -1.94 -1.12 -4.78 119.30 112.85 2kh2 s MET 130 Ca 0.02 0.34 -0.12 0.00 -1.71 0.00 0.00 55.69 54.22 2kh2 s MET 130 Cb -0.01 -3.23 0.17 0.00 2.01 0.00 0.00 34.83 33.77 2kh2 s MET 130 CO 0.02 0.67 1.09 -2.14 -0.01 0.00 0.00 175.02 174.65 2kh2 s PRO 131 N -0.97 0.63 -0.07 2.03 0.02 -1.26 -0.54 135.00 134.85 2kh2 s PRO 131 Ca 0.23 0.77 -0.11 0.00 0.02 0.00 0.00 61.00 61.90 2kh2 s PRO 131 Cb -0.16 -1.74 -0.05 0.00 0.02 0.00 0.00 34.50 32.57 2kh2 s PRO 131 CO 0.12 -2.66 0.27 0.08 -0.33 0.00 0.00 177.00 174.49 2kh2 s VAL 132 N -2.85 5.27 0.29 3.83 1.01 -1.09 -4.60 120.40 122.26 2kh2 s VAL 132 Ca 0.65 0.52 -0.02 0.00 0.00 0.00 0.00 61.98 63.13 2kh2 s VAL 132 Cb -0.19 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 2kh2 s VAL 132 CO 0.58 0.59 0.36 0.72 0.00 0.00 0.00 175.10 177.35 2kh2 s PHE 133 N -0.95 1.07 -0.19 5.22 -0.71 -0.79 -4.90 117.98 116.73 2kh2 s PHE 133 Ca 0.19 -1.27 -0.15 0.00 -1.04 0.00 0.00 56.93 54.66 2kh2 s PHE 133 Cb -0.14 -0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 41.38 2kh2 s PHE 133 CO 0.08 -0.95 0.35 -1.17 -1.34 0.00 0.00 175.22 172.19 2kh2 s LEU 134 N -3.20 4.19 -0.02 -1.99 2.96 -1.26 -0.63 118.68 118.73 2kh2 s LEU 134 Ca 0.33 0.50 0.07 0.00 -0.22 0.00 0.00 54.13 54.81 2kh2 s LEU 134 Cb 0.02 -2.45 -0.02 0.00 0.50 0.00 0.00 46.19 44.23 2kh2 s LEU 134 CO 0.18 -0.01 -0.24 -0.83 -1.32 0.00 0.00 176.35 174.13 2kh2 s GLY 135 N 0.84 1.32 0.00 7.98 0.00 0.93 -4.89 107.32 113.51 2kh2 s GLY 135 Ca 0.18 -1.10 0.23 0.00 0.00 0.00 0.00 44.72 44.02 2kh2 s GLY 135 CO 0.07 -0.92 1.48 0.61 0.00 0.00 0.00 173.10 174.34 2kh2 n GLY 136 N 2.37 2.18 3.10 0.20 0.00 -1.26 -0.13 105.19 111.64 2kh2 n GLY 136 Ca -0.16 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.20 2.80 -0.10 2.61 2.01 -1.26 -4.82 115.64 115.67 2kh2 s THR 137 Ca 0.44 -1.95 -0.19 0.00 0.31 0.00 0.00 61.69 60.30 2kh2 s THR 137 Cb 0.24 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.85 2kh2 s THR 137 CO 0.32 -0.47 0.51 -0.75 -0.69 0.00 0.00 174.62 173.55 2kh2 s LYS 138 N 1.09 4.34 0.00 4.92 2.20 -1.26 -3.94 119.74 127.09 2kh2 s LYS 138 Ca 0.04 0.52 0.00 0.00 -0.36 0.00 0.00 55.97 56.17 2kh2 s LYS 138 Cb -0.21 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 2kh2 s LYS 138 CO -0.05 0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.52 2kh2 n GLY 139 N 3.16 0.63 0.00 5.54 0.00 -1.26 -5.06 105.19 108.20 2kh2 n GLY 139 Ca -0.06 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.35 1.84 0.19 -0.02 0.00 -1.25 -5.01 105.19 98.59 2kh2 n GLY 140 Ca 0.00 -1.81 -0.21 0.00 0.00 0.00 0.00 46.02 44.01 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 0.69 -6.61 1.61 7.50 -1.97 -3.44 115.11 112.88 2kh2 h GLN 141 Ca 0.00 -0.77 -0.52 0.00 0.50 0.00 0.00 58.65 57.86 2kh2 h GLN 141 Cb 0.00 0.23 0.00 0.00 0.05 0.00 0.00 27.48 27.76 2kh2 h GLN 141 CO 0.00 1.34 0.47 -0.51 -1.50 0.00 0.00 178.83 178.63 2kh2 s ASP 142 N -7.32 7.27 0.02 1.46 1.01 -1.26 -4.47 116.67 113.38 2kh2 s ASP 142 Ca -0.10 2.03 -0.30 0.00 0.71 0.00 0.00 52.55 54.89 2kh2 s ASP 142 Cb 0.07 -2.60 -0.06 0.00 1.01 0.00 0.00 42.92 41.34 2kh2 s ASP 142 CO 0.92 -0.24 1.36 -0.63 0.21 0.00 0.00 175.17 176.80 2kh2 s ILE 143 N 0.01 3.72 -0.09 0.77 1.09 -0.25 -4.67 121.20 121.77 2kh2 s ILE 143 Ca 0.50 1.15 0.13 0.00 -1.10 0.00 0.00 60.65 61.33 2kh2 s ILE 143 Cb -0.28 -3.74 -0.19 0.00 -1.06 0.00 0.00 42.46 37.19 2kh2 s ILE 143 CO 0.33 0.02 0.15 0.35 -0.10 0.00 0.00 174.94 175.69 2kh2 n THR 144 N 4.47 0.59 -3.26 2.92 -2.24 -1.26 -2.50 114.28 112.99 2kh2 n THR 144 Ca 0.12 -0.49 -0.34 0.00 -2.27 0.00 0.00 64.05 61.07 2kh2 n THR 144 Cb 0.44 -0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 68.27 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 -4.31 6.84 0.27 3.42 -4.77 -1.26 -4.35 116.67 112.51 2kh2 s ASP 145 Ca -0.06 1.17 0.02 0.00 -3.30 0.00 0.00 52.55 50.38 2kh2 s ASP 145 Cb 0.06 -2.33 -0.05 0.00 -1.09 0.00 0.00 42.92 39.52 2kh2 s ASP 145 CO 0.58 0.00 0.12 -0.36 0.70 0.00 0.00 175.17 176.21 2kh2 s PHE 146 N -1.63 1.51 0.07 2.11 0.08 0.64 -3.92 117.98 116.84 2kh2 s PHE 146 Ca 0.43 -1.26 0.06 0.00 0.12 0.00 0.00 56.93 56.28 2kh2 s PHE 146 Cb -0.14 -0.84 -0.04 0.00 -0.57 0.00 0.00 43.02 41.43 2kh2 s PHE 146 CO 0.20 -0.43 -0.07 0.95 -0.10 0.00 0.00 175.22 175.77 2kh2 s THR 147 N -3.76 3.58 -0.26 0.64 -4.23 0.85 -1.96 115.64 110.50 2kh2 s THR 147 Ca 0.37 -1.07 -0.06 0.00 -1.18 0.00 0.00 61.69 59.75 2kh2 s THR 147 Cb 0.07 -2.65 -0.01 0.00 1.34 0.00 0.00 72.50 71.25 2kh2 s THR 147 CO 0.15 0.19 0.05 -0.32 -0.54 0.00 0.00 174.62 174.14 2kh2 s MET 148 N -2.01 3.40 -0.24 3.99 1.75 -1.26 -3.37 119.30 121.56 2kh2 s MET 148 Ca 0.21 -0.64 0.02 0.00 -1.25 0.00 0.00 55.69 54.03 2kh2 s MET 148 Cb -0.11 -3.27 0.06 0.00 2.84 0.00 0.00 34.83 34.35 2kh2 s MET 148 CO 0.13 -0.28 -0.10 -0.65 -0.65 0.00 0.00 175.02 173.47 2kh2 s GLN 149 N 1.54 2.08 0.16 4.11 1.11 -0.95 -4.97 119.66 122.74 2kh2 s GLN 149 Ca 0.05 -1.14 -0.30 0.00 0.01 0.00 0.00 55.36 53.98 2kh2 s GLN 149 Cb -0.16 -2.72 -0.07 0.00 -1.01 0.00 0.00 33.01 29.06 2kh2 s GLN 149 CO 0.02 -0.54 1.05 -0.06 0.01 0.00 0.00 175.29 175.77 2kh2 s PHE 150 N 1.24 3.68 0.38 0.91 0.40 -1.26 -0.20 117.98 123.14 2kh2 s PHE 150 Ca -0.06 1.68 0.08 0.00 -0.60 0.00 0.00 56.93 58.02 2kh2 s PHE 150 Cb -0.19 -3.19 -0.02 0.00 0.51 0.00 0.00 43.02 40.14 2kh2 s PHE 150 CO -0.06 -0.29 0.40 0.14 0.70 0.00 0.00 175.22 176.10 2kh2 s VAL 151 N -0.17 3.16 -1.25 -0.44 -7.23 -1.06 -4.95 120.40 108.45 2kh2 s VAL 151 Ca 0.48 -1.25 -0.18 0.00 -1.81 0.00 0.00 61.98 59.23 2kh2 s VAL 151 Cb -0.27 -3.11 -0.00 0.00 0.56 0.00 0.00 36.38 33.56 2kh2 s VAL 151 CO 0.33 -0.07 2.00 -1.54 -0.31 0.00 0.00 175.10 175.51 2kh2 n SER 152 N -1.56 3.82 0.00 4.85 3.41 -1.26 -4.91 113.62 117.97 2kh2 n SER 152 Ca 0.02 -2.82 0.00 0.00 -0.26 0.00 0.00 58.87 55.82 2kh2 n SER 152 Cb 0.60 -1.59 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68