#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 0.14 -4.59 0.00 0.13 -2.08 -3.45 132.00 122.15 2kh2 h PRO 2 Ca 0.00 -0.20 -0.46 0.00 -0.87 0.00 0.00 66.00 64.47 2kh2 h PRO 2 Cb 0.00 0.07 -0.32 0.00 0.13 0.00 0.00 31.00 30.88 2kh2 h PRO 2 CO 0.00 1.02 -0.80 0.54 -0.23 0.00 0.00 178.00 178.54 2kh2 s VAL 3 N -2.91 0.91 0.29 1.56 0.11 -1.26 -5.12 120.40 113.98 2kh2 s VAL 3 Ca -0.02 -0.40 0.09 0.00 -2.93 0.00 0.00 61.98 58.72 2kh2 s VAL 3 Cb 0.09 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 34.08 2kh2 s VAL 3 CO 0.84 0.29 0.04 -0.13 -3.33 0.00 0.00 175.10 172.81 2kh2 s ARG 4 N 0.38 2.33 -0.03 1.54 0.52 -1.26 -5.10 118.95 117.32 2kh2 s ARG 4 Ca -0.07 -1.46 -0.22 0.00 -0.52 0.00 0.00 55.73 53.46 2kh2 s ARG 4 Cb -0.11 -2.17 0.05 0.00 0.52 0.00 0.00 34.95 33.24 2kh2 s ARG 4 CO 0.01 0.29 0.48 -1.54 0.02 0.00 0.00 175.30 174.56 2kh2 s SER 5 N -3.73 -0.41 0.23 0.23 1.04 -1.26 -3.83 113.70 105.97 2kh2 s SER 5 Ca 0.33 0.38 0.04 0.00 0.48 0.00 0.00 55.95 57.19 2kh2 s SER 5 Cb -0.05 0.42 -0.05 0.00 0.10 0.00 0.00 66.02 66.44 2kh2 s SER 5 CO 0.21 -0.52 -0.03 -1.48 0.98 0.00 0.00 173.24 172.39 2kh2 s LEU 6 N -1.26 2.30 -0.17 2.42 0.05 -0.84 -4.96 118.68 116.22 2kh2 s LEU 6 Ca -0.12 -1.18 -0.01 0.00 0.05 0.00 0.00 54.13 52.87 2kh2 s LEU 6 Cb -0.03 -0.37 -0.00 0.00 -2.05 0.00 0.00 46.19 43.74 2kh2 s LEU 6 CO 0.07 -0.44 -0.13 0.20 -0.55 0.00 0.00 176.35 175.50 2kh2 s ASN 7 N -3.32 3.77 0.13 1.48 0.01 -1.26 0.25 114.94 116.01 2kh2 s ASN 7 Ca 0.27 -0.47 0.02 0.00 -0.71 0.00 0.00 52.86 51.97 2kh2 s ASN 7 Cb 0.05 -1.60 -0.04 0.00 0.41 0.00 0.00 41.25 40.06 2kh2 s ASN 7 CO 0.08 0.05 -0.04 0.00 -1.51 0.00 0.00 177.10 175.68 2kh2 s THR 9 N -3.62 3.89 -0.16 0.00 -4.23 0.27 -0.52 115.64 111.26 2kh2 s THR 9 Ca 0.16 -0.54 -0.02 0.00 -1.18 0.00 0.00 61.69 60.11 2kh2 s THR 9 Cb 0.05 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.22 2kh2 s THR 9 CO -0.01 0.50 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.72 2kh2 s LEU 10 N -1.14 2.87 0.00 4.79 1.43 -1.26 -1.49 118.68 123.89 2kh2 s LEU 10 Ca 0.15 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 2kh2 s LEU 10 Cb -0.11 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 2kh2 s LEU 10 CO 0.05 0.11 -0.04 -0.13 0.23 0.00 0.00 176.35 176.58 2kh2 s ARG 11 N 0.67 0.28 0.91 1.70 0.52 -0.89 -3.69 118.95 118.45 2kh2 s ARG 11 Ca -0.05 -0.23 -0.13 0.00 -0.52 0.00 0.00 55.73 54.80 2kh2 s ARG 11 Cb -0.15 -0.21 0.18 0.00 0.52 0.00 0.00 34.95 35.29 2kh2 s ARG 11 CO 0.02 0.05 1.26 0.16 0.02 0.00 0.00 175.30 176.82 2kh2 s ASP 12 N -0.37 3.38 0.03 0.23 1.47 -0.94 0.40 116.67 120.87 2kh2 s ASP 12 Ca -0.02 0.17 0.12 0.00 1.18 0.00 0.00 52.55 54.00 2kh2 s ASP 12 Cb -0.03 -0.29 0.50 0.00 -0.34 0.00 0.00 42.92 42.76 2kh2 s ASP 12 CO -0.00 -2.55 1.37 -1.54 0.68 0.00 0.00 175.17 173.12 2kh2 n SER 13 N -3.59 0.08 -0.64 2.11 3.41 -1.25 -1.43 113.62 112.31 2kh2 n SER 13 Ca 0.15 0.52 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 2kh2 n SER 13 Cb 0.60 -0.54 0.38 0.00 -0.26 0.00 0.00 64.21 64.39 2kh2 n SER 13 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2kh2 n GLN 14 N -1.59 1.86 -1.21 4.33 7.27 -1.26 -4.90 117.38 121.88 2kh2 n GLN 14 Ca 0.02 -1.27 -0.07 0.00 0.07 0.00 0.00 57.00 55.75 2kh2 n GLN 14 Cb 0.12 -1.44 -0.03 0.00 2.41 0.00 0.00 30.24 31.30 2kh2 n GLN 14 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2kh2 n GLN 15 N 0.51 -0.54 -3.06 3.69 1.13 -0.52 -4.94 117.38 113.65 2kh2 n GLN 15 Ca 0.17 0.74 -0.34 0.00 -1.94 0.00 0.00 57.00 55.64 2kh2 n GLN 15 Cb 0.40 -4.55 -0.06 0.00 0.11 0.00 0.00 30.24 26.13 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 -2.55 4.13 0.19 -1.09 1.02 -1.26 -4.12 119.74 116.06 2kh2 s LYS 16 Ca 0.00 0.83 0.11 0.00 0.02 0.00 0.00 55.97 56.92 2kh2 s LYS 16 Cb 0.00 -2.51 -0.04 0.00 -0.52 0.00 0.00 37.83 34.75 2kh2 s LYS 16 CO 0.00 0.19 -0.20 -1.12 -0.92 0.00 0.00 175.35 173.30 2kh2 s SER 17 N -2.08 3.67 -0.15 2.83 0.01 0.11 -2.21 113.70 115.89 2kh2 s SER 17 Ca 0.53 -0.78 -0.23 0.00 1.31 0.00 0.00 55.95 56.77 2kh2 s SER 17 Cb -0.12 -0.39 -0.03 0.00 0.21 0.00 0.00 66.02 65.70 2kh2 s SER 17 CO 0.18 0.12 0.71 -0.76 0.41 0.00 0.00 173.24 173.90 2kh2 s LEU 18 N -2.71 4.21 0.12 2.44 1.43 -1.24 -1.49 118.68 121.44 2kh2 s LEU 18 Ca 0.22 1.05 0.08 0.00 -1.03 0.00 0.00 54.13 54.44 2kh2 s LEU 18 Cb -0.08 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 2kh2 s LEU 18 CO 0.11 -0.26 -0.19 0.68 0.23 0.00 0.00 176.35 176.92 2kh2 s VAL 19 N 1.63 1.65 -0.43 -1.59 -7.23 0.92 -1.12 120.40 114.23 2kh2 s VAL 19 Ca 0.34 -1.64 -0.29 0.00 -1.81 0.00 0.00 61.98 58.59 2kh2 s VAL 19 Cb -0.17 -1.59 0.02 0.00 0.56 0.00 0.00 36.38 35.20 2kh2 s VAL 19 CO 0.13 -0.18 1.31 -0.04 -0.31 0.00 0.00 175.10 176.02 2kh2 s MET 20 N -2.20 3.64 0.00 4.82 -1.94 -1.26 -0.68 119.30 121.68 2kh2 s MET 20 Ca 0.08 0.83 0.00 0.00 -1.71 0.00 0.00 55.69 54.89 2kh2 s MET 20 Cb -0.08 -3.98 0.00 0.00 2.01 0.00 0.00 34.83 32.78 2kh2 s MET 20 CO 0.05 -1.48 0.06 0.45 -0.01 0.00 0.00 175.02 174.09 2kh2 n SER 21 N 8.43 0.00 -0.14 3.03 2.88 0.38 -4.93 113.62 123.27 2kh2 n SER 21 Ca 0.15 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 2kh2 n SER 21 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 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 2.14 1.80 0.18 0.46 0.00 -1.19 -4.94 105.19 103.64 2kh2 n GLY 22 Ca 0.00 -2.01 0.03 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.43 1.61 0.13 -2.04 -3.30 132.00 127.97 2kh2 h PRO 23 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.88 2kh2 h PRO 23 Cb 0.00 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.73 2kh2 h PRO 23 CO 0.00 0.43 -1.10 0.66 -0.23 0.00 0.00 178.00 177.76 2kh2 n TYR 24 N -3.90 1.29 -4.01 1.56 4.01 -1.26 -5.09 117.16 109.76 2kh2 n TYR 24 Ca -0.01 -2.08 -0.13 0.00 -0.16 0.00 0.00 57.90 55.53 2kh2 n TYR 24 Cb 0.47 -0.23 -0.13 0.00 -0.31 0.00 0.00 39.34 39.14 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 -3.64 0.28 0.01 -0.72 2.12 -1.24 -4.42 118.70 111.08 2kh2 s GLU 25 Ca 0.29 -0.32 0.07 0.00 0.36 0.00 0.00 54.97 55.37 2kh2 s GLU 25 Cb 0.33 -0.14 -0.02 0.00 0.26 0.00 0.00 34.13 34.56 2kh2 s GLU 25 CO -0.04 0.03 -0.21 -0.51 -0.54 0.00 0.00 175.26 173.99 2kh2 s LEU 26 N -0.63 2.10 0.16 2.70 1.43 -1.26 -0.47 118.68 122.70 2kh2 s LEU 26 Ca -0.05 -0.44 0.07 0.00 -1.03 0.00 0.00 54.13 52.68 2kh2 s LEU 26 Cb -0.04 -1.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.09 2kh2 s LEU 26 CO -0.00 0.22 -0.15 -0.54 0.23 0.00 0.00 176.35 176.11 2kh2 s LYS 27 N -0.79 1.19 -0.18 1.70 1.02 0.15 -2.03 119.74 120.79 2kh2 s LYS 27 Ca 0.08 -1.41 0.01 0.00 0.02 0.00 0.00 55.97 54.67 2kh2 s LYS 27 Cb -0.08 -1.08 0.03 0.00 -0.52 0.00 0.00 37.83 36.17 2kh2 s LYS 27 CO 0.00 0.20 -0.17 0.00 -0.92 0.00 0.00 175.35 174.46 2kh2 s ALA 28 N -2.43 2.24 0.09 5.17 0.00 0.14 -0.06 121.76 126.91 2kh2 s ALA 28 Ca 0.15 -1.21 -0.08 0.00 0.00 0.00 0.00 51.96 50.82 2kh2 s ALA 28 Cb -0.03 -1.20 -0.00 0.00 0.00 0.00 0.00 23.12 21.88 2kh2 s ALA 28 CO 0.05 -0.47 0.19 -0.48 0.00 0.00 0.00 175.76 175.05 2kh2 s LEU 29 N 1.32 1.43 0.08 0.00 0.05 -0.55 -3.15 118.68 117.87 2kh2 s LEU 29 Ca 0.03 -0.70 -0.31 0.00 0.05 0.00 0.00 54.13 53.21 2kh2 s LEU 29 Cb -0.14 1.00 -0.09 0.00 -2.05 0.00 0.00 46.19 44.91 2kh2 s LEU 29 CO -0.11 -0.74 1.76 -1.00 -0.55 0.00 0.00 176.35 175.70 2kh2 s HIS 30 N -3.88 2.18 -0.30 3.48 3.76 -1.26 0.10 115.29 119.37 2kh2 s HIS 30 Ca 0.07 0.09 0.01 0.00 -0.15 0.00 0.00 55.06 55.08 2kh2 s HIS 30 Cb 0.05 -4.08 0.09 0.00 1.11 0.00 0.00 32.58 29.75 2kh2 s HIS 30 CO -0.10 -4.46 0.05 -1.17 -0.85 0.00 0.00 174.74 168.21 2kh2 s LEU 31 N 2.91 2.97 0.00 0.89 2.96 -1.26 -4.89 118.68 122.27 2kh2 s LEU 31 Ca 0.78 -1.66 0.00 0.00 -0.22 0.00 0.00 54.13 53.04 2kh2 s LEU 31 Cb -0.42 -1.13 0.00 0.00 0.50 0.00 0.00 46.19 45.14 2kh2 s LEU 31 CO 0.35 -0.36 0.00 0.00 -1.32 0.00 0.00 176.35 175.01 2kh2 n GLN 32 N 4.65 2.69 0.00 1.98 6.02 -1.26 -4.72 117.38 126.75 2kh2 n GLN 32 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2kh2 n GLN 32 Cb 0.43 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.69 2kh2 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kh2 n GLY 33 N 3.37 3.14 1.19 1.08 0.00 -1.26 -2.22 105.19 110.50 2kh2 n GLY 33 Ca 0.00 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 13.84 3.41 -0.33 1.61 -0.06 -1.26 -4.31 117.38 130.28 2kh2 n GLN 34 Ca 0.00 -2.72 0.09 0.00 -2.00 0.00 0.00 57.00 52.37 2kh2 n GLN 34 Cb 0.00 -1.78 0.26 0.00 -4.06 0.00 0.00 30.24 24.67 2kh2 n GLN 34 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2kh2 n ASP 35 N 0.44 3.27 0.11 1.69 10.43 -0.94 -4.36 116.55 127.19 2kh2 n ASP 35 Ca 0.21 -2.05 0.16 0.00 2.57 0.00 0.00 54.79 55.68 2kh2 n ASP 35 Cb 0.82 -0.41 0.68 0.00 1.84 0.00 0.00 41.12 44.05 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 -1.07 0.00 0.00 177.20 176.10 2kh2 h MET 36 N 3.42 0.00 -0.21 -1.24 4.05 -1.75 0.09 114.93 119.29 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 0.85 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.65 2kh2 h MET 36 CO 0.03 0.00 0.00 0.39 0.23 0.00 0.00 176.91 177.56 2kh2 n GLU 37 N -4.40 1.68 -0.04 0.39 -0.58 -1.26 -3.81 120.64 112.62 2kh2 n GLU 37 Ca 0.05 -1.03 0.13 0.00 -0.42 0.00 0.00 57.16 55.88 2kh2 n GLU 37 Cb 0.40 -1.33 0.33 0.00 -0.57 0.00 0.00 31.44 30.27 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 0.28 1.99 -1.98 3.49 6.02 0.02 -4.95 117.38 122.26 2kh2 n GLN 38 Ca 0.14 -1.46 -0.28 0.00 -0.01 0.00 0.00 57.00 55.39 2kh2 n GLN 38 Cb 0.29 -1.46 0.08 0.00 1.02 0.00 0.00 30.24 30.16 2kh2 n GLN 38 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2kh2 s GLN 39 N -1.91 2.21 0.03 -1.09 -2.07 -1.25 -4.79 119.66 110.79 2kh2 s GLN 39 Ca 0.34 0.09 -0.10 0.00 -1.82 0.00 0.00 55.36 53.87 2kh2 s GLN 39 Cb 0.20 -2.02 -0.05 0.00 -1.09 0.00 0.00 33.01 30.05 2kh2 s GLN 39 CO 0.31 -1.39 0.35 0.08 -1.32 0.00 0.00 175.29 173.32 2kh2 s VAL 40 N -3.45 5.16 -0.13 3.63 1.01 -0.27 -5.00 120.40 121.35 2kh2 s VAL 40 Ca 0.61 0.43 -0.02 0.00 0.00 0.00 0.00 61.98 63.00 2kh2 s VAL 40 Cb -0.11 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2kh2 s VAL 40 CO 0.48 0.39 -0.06 -0.69 0.00 0.00 0.00 175.10 175.22 2kh2 s VAL 41 N -1.29 3.70 -0.08 2.92 1.01 -1.26 -4.55 120.40 120.85 2kh2 s VAL 41 Ca 0.29 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 2kh2 s VAL 41 Cb -0.14 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2kh2 s VAL 41 CO 0.16 0.52 0.06 -0.36 0.00 0.00 0.00 175.10 175.48 2kh2 s PHE 42 N 0.08 3.31 -0.24 5.22 0.40 0.33 -0.98 117.98 126.09 2kh2 s PHE 42 Ca -0.02 0.29 -0.17 0.00 -0.60 0.00 0.00 56.93 56.44 2kh2 s PHE 42 Cb -0.14 -1.82 -0.03 0.00 0.51 0.00 0.00 43.02 41.54 2kh2 s PHE 42 CO 0.03 0.56 0.48 -1.12 0.70 0.00 0.00 175.22 175.88 2kh2 s SER 43 N -1.10 6.43 -0.35 1.36 0.01 0.17 -0.86 113.70 119.37 2kh2 s SER 43 Ca 0.16 0.52 -0.12 0.00 1.31 0.00 0.00 55.95 57.82 2kh2 s SER 43 Cb -0.12 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.85 2kh2 s SER 43 CO 0.05 -0.22 0.22 -0.04 0.41 0.00 0.00 173.24 173.66 2kh2 s MET 44 N 2.01 3.24 -0.12 12.44 -1.94 0.14 -2.77 119.30 132.29 2kh2 s MET 44 Ca 0.21 -0.81 -0.05 0.00 -1.71 0.00 0.00 55.69 53.33 2kh2 s MET 44 Cb -0.15 -3.76 -0.04 0.00 2.01 0.00 0.00 34.83 32.89 2kh2 s MET 44 CO 0.09 -0.54 0.05 -1.12 -0.01 0.00 0.00 175.02 173.50 2kh2 s SER 45 N 1.65 5.62 -0.80 3.03 0.01 -1.18 -1.99 113.70 120.04 2kh2 s SER 45 Ca 0.05 0.20 -0.25 0.00 1.31 0.00 0.00 55.95 57.25 2kh2 s SER 45 Cb -0.18 -1.77 0.04 0.00 0.21 0.00 0.00 66.02 64.32 2kh2 s SER 45 CO 0.09 0.32 1.29 -0.36 0.41 0.00 0.00 173.24 174.99 2kh2 s PHE 46 N -0.54 2.40 0.48 2.43 0.08 -1.25 -1.14 117.98 120.43 2kh2 s PHE 46 Ca 0.10 -0.32 -0.07 0.00 0.12 0.00 0.00 56.93 56.76 2kh2 s PHE 46 Cb -0.12 -4.61 -0.04 0.00 -0.57 0.00 0.00 43.02 37.68 2kh2 s PHE 46 CO 0.02 -1.99 0.81 0.14 -0.10 0.00 0.00 175.22 174.10 2kh2 s VAL 47 N 5.34 4.85 -0.46 -0.44 -7.23 -1.00 -4.84 120.40 116.61 2kh2 s VAL 47 Ca 0.36 0.39 -0.20 0.00 -1.81 0.00 0.00 61.98 60.72 2kh2 s VAL 47 Cb -0.07 -3.83 0.03 0.00 0.56 0.00 0.00 36.38 33.07 2kh2 s VAL 47 CO 0.08 -0.81 0.64 -1.58 -0.31 0.00 0.00 175.10 173.13 2kh2 s GLN 48 N -4.57 3.22 0.00 4.82 2.00 -1.12 -4.69 119.66 119.32 2kh2 s GLN 48 Ca 0.49 -0.54 0.00 0.00 -2.00 0.00 0.00 55.36 53.31 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 0.43 -1.09 0.00 0.41 -0.50 0.00 0.00 175.29 174.53 2kh2 n GLY 49 N 5.09 3.18 3.58 2.59 0.00 -1.26 -4.94 105.19 113.43 2kh2 n GLY 49 Ca -0.03 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 4.41 3.26 -0.04 1.61 2.56 -1.26 -4.98 118.70 124.25 2kh2 s GLU 50 Ca 0.00 0.53 0.04 0.00 0.00 0.00 0.00 54.97 55.54 2kh2 s GLU 50 Cb 0.00 -4.15 -0.03 0.00 2.00 0.00 0.00 34.13 31.96 2kh2 s GLU 50 CO 0.00 -1.99 -0.14 -1.21 -0.56 0.00 0.00 175.26 171.36 2kh2 s GLU 51 N 5.63 2.46 0.01 4.30 2.02 -1.26 -3.73 118.70 128.13 2kh2 s GLU 51 Ca 0.55 -0.72 -0.00 0.00 0.02 0.00 0.00 54.97 54.82 2kh2 s GLU 51 Cb -0.12 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.74 2kh2 s GLU 51 CO 0.25 0.61 0.02 -1.13 0.02 0.00 0.00 175.26 175.04 2kh2 n SER 52 N 2.17 -0.06 0.10 -0.19 3.41 -0.47 -4.98 113.62 113.60 2kh2 n SER 52 Ca -0.17 -1.06 0.13 0.00 -0.26 0.00 0.00 58.87 57.52 2kh2 n SER 52 Cb 0.52 0.10 0.41 0.00 -0.26 0.00 0.00 64.21 64.99 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 -1.53 0.76 -0.01 4.04 2.85 -1.26 -4.19 115.26 115.91 2kh2 n ASN 53 Ca -0.00 0.55 -0.01 0.00 -0.11 0.00 0.00 54.58 55.00 2kh2 n ASN 53 Cb 0.02 -0.74 -0.01 0.00 1.24 0.00 0.00 39.78 40.29 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 -2.20 3.89 -4.58 1.20 5.75 -1.26 -4.97 116.55 114.38 2kh2 n ASP 54 Ca 0.06 -0.01 -0.38 0.00 -0.01 0.00 0.00 54.79 54.44 2kh2 n ASP 54 Cb 0.42 0.02 -0.11 0.00 -1.03 0.00 0.00 41.12 40.42 2kh2 n ASP 54 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2kh2 s LYS 55 N -2.04 3.89 -0.19 0.11 1.02 -1.25 -1.83 119.74 119.45 2kh2 s LYS 55 Ca -0.03 -0.33 -0.01 0.00 0.02 0.00 0.00 55.97 55.62 2kh2 s LYS 55 Cb 0.01 -3.68 0.00 0.00 -0.52 0.00 0.00 37.83 33.64 2kh2 s LYS 55 CO 0.05 -0.23 -0.11 0.42 -0.92 0.00 0.00 175.35 174.56 2kh2 s ILE 56 N 1.79 2.84 -0.35 2.17 -1.09 -0.46 -1.37 121.20 124.73 2kh2 s ILE 56 Ca 0.08 -0.68 -0.29 0.00 -2.23 0.00 0.00 60.65 57.53 2kh2 s ILE 56 Cb -0.16 -2.25 0.01 0.00 -1.58 0.00 0.00 42.46 38.48 2kh2 s ILE 56 CO 0.11 0.48 1.32 -2.16 -1.23 0.00 0.00 174.94 173.46 2kh2 s PRO 57 N 1.24 3.79 0.06 2.79 0.04 -1.24 -0.85 135.00 140.83 2kh2 s PRO 57 Ca 0.03 1.09 0.02 0.00 0.04 0.00 0.00 61.00 62.18 2kh2 s PRO 57 Cb -0.14 -3.93 -0.03 0.00 0.04 0.00 0.00 34.50 30.44 2kh2 s PRO 57 CO -0.05 -1.29 -0.07 0.14 0.04 0.00 0.00 177.00 175.77 2kh2 s VAL 58 N 4.73 0.60 0.17 -0.36 -7.23 0.04 -2.38 120.40 115.95 2kh2 s VAL 58 Ca 0.57 -1.37 -0.02 0.00 -1.81 0.00 0.00 61.98 59.35 2kh2 s VAL 58 Cb -0.15 -0.98 -0.05 0.00 0.56 0.00 0.00 36.38 35.77 2kh2 s VAL 58 CO 0.27 -0.55 0.37 0.00 -0.31 0.00 0.00 175.10 174.88 2kh2 s ALA 59 N -2.14 3.84 -0.25 1.32 0.00 -0.29 -1.17 121.76 123.06 2kh2 s ALA 59 Ca -0.03 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.20 2kh2 s ALA 59 Cb -0.05 -2.03 0.07 0.00 0.00 0.00 0.00 23.12 21.12 2kh2 s ALA 59 CO -0.01 0.56 -0.01 -0.51 0.00 0.00 0.00 175.76 175.79 2kh2 s LEU 60 N -3.01 2.55 0.12 0.00 1.43 -1.26 -3.12 118.68 115.40 2kh2 s LEU 60 Ca 0.39 -1.29 0.04 0.00 -1.03 0.00 0.00 54.13 52.24 2kh2 s LEU 60 Cb -0.12 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 2kh2 s LEU 60 CO 0.27 -0.28 -0.10 -0.83 0.23 0.00 0.00 176.35 175.64 2kh2 s GLY 61 N 1.44 0.94 0.21 -3.19 0.00 -1.11 -0.95 107.32 104.65 2kh2 s GLY 61 Ca -0.01 -1.34 -0.30 0.00 0.00 0.00 0.00 44.72 43.06 2kh2 s GLY 61 CO -0.09 -1.43 1.30 1.08 0.00 0.00 0.00 173.10 173.95 2kh2 s LEU 62 N -2.84 4.42 0.01 0.66 1.02 0.37 0.44 118.68 122.76 2kh2 s LEU 62 Ca 0.11 2.40 -0.36 0.00 0.02 0.00 0.00 54.13 56.30 2kh2 s LEU 62 Cb 0.00 -3.61 -0.14 0.00 0.02 0.00 0.00 46.19 42.46 2kh2 s LEU 62 CO -0.00 -0.51 1.61 1.17 0.02 0.00 0.00 176.35 178.64 2kh2 n LYS 63 N 2.51 1.71 -2.62 1.70 4.81 -0.16 -1.59 118.16 124.51 2kh2 n LYS 63 Ca 0.06 0.62 -0.13 0.00 -0.87 0.00 0.00 58.31 57.98 2kh2 n LYS 63 Cb 0.43 -2.36 -0.00 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 4.26 -2.55 -4.43 1.64 0.28 -1.26 -4.95 120.64 113.64 2kh2 n GLU 64 Ca 0.20 0.52 -0.21 0.00 -0.16 0.00 0.00 57.16 57.51 2kh2 n GLU 64 Cb 0.23 -5.13 -0.10 0.00 1.43 0.00 0.00 31.44 27.87 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 -5.21 1.57 -0.14 3.44 1.02 -0.62 -5.04 119.74 114.76 2kh2 s LYS 65 Ca 0.08 -1.84 0.16 0.00 0.02 0.00 0.00 55.97 54.39 2kh2 s LYS 65 Cb -0.04 -0.93 0.72 0.00 -0.52 0.00 0.00 37.83 37.06 2kh2 s LYS 65 CO 0.09 -0.10 1.62 0.27 -0.92 0.00 0.00 175.35 176.31 2kh2 n ASN 66 N -0.61 4.83 -4.52 2.83 0.23 -1.26 -4.67 115.26 112.08 2kh2 n ASN 66 Ca -0.04 -2.55 -0.37 0.00 -0.53 0.00 0.00 54.58 51.09 2kh2 n ASN 66 Cb 0.65 -0.60 -0.12 0.00 -2.08 0.00 0.00 39.78 37.64 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 -2.00 3.79 0.08 -4.53 1.43 -1.26 -1.37 118.68 114.82 2kh2 s LEU 67 Ca 0.50 -0.11 0.08 0.00 -1.03 0.00 0.00 54.13 53.57 2kh2 s LEU 67 Cb 0.34 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 2kh2 s LEU 67 CO 0.21 -0.05 -0.22 -0.31 0.23 0.00 0.00 176.35 176.21 2kh2 s TYR 68 N 1.69 1.93 -0.09 0.29 1.51 -0.64 -0.48 117.35 121.57 2kh2 s TYR 68 Ca 0.07 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.43 2kh2 s TYR 68 Cb -0.16 -1.09 -0.03 0.00 -0.11 0.00 0.00 41.96 40.57 2kh2 s TYR 68 CO 0.08 0.18 1.37 -0.51 -1.11 0.00 0.00 175.55 175.56 2kh2 s LEU 69 N -1.64 4.26 -0.05 -1.29 1.43 -0.12 -0.32 118.68 120.94 2kh2 s LEU 69 Ca 0.08 1.92 0.05 0.00 -1.03 0.00 0.00 54.13 55.16 2kh2 s LEU 69 Cb -0.10 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.57 2kh2 s LEU 69 CO 0.04 -0.76 -0.21 -0.55 0.23 0.00 0.00 176.35 175.09 2kh2 s SER 70 N 2.19 2.60 -0.28 2.29 0.15 0.44 -4.47 113.70 116.62 2kh2 s SER 70 Ca 0.61 -0.43 -0.09 0.00 0.70 0.00 0.00 55.95 56.74 2kh2 s SER 70 Cb -0.27 -0.71 -0.03 0.00 -1.71 0.00 0.00 66.02 63.30 2kh2 s SER 70 CO 0.22 0.20 0.14 0.00 1.20 0.00 0.00 173.24 174.99 2kh2 s VAL 72 N 1.66 0.40 -0.30 0.00 -7.23 -0.30 -4.70 120.40 109.93 2kh2 s VAL 72 Ca 0.06 -1.95 -0.16 0.00 -1.81 0.00 0.00 61.98 58.13 2kh2 s VAL 72 Cb -0.16 -2.10 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 2kh2 s VAL 72 CO 0.07 -0.46 0.39 -0.76 -0.31 0.00 0.00 175.10 174.03 2kh2 s LEU 73 N -3.12 4.20 -0.03 1.32 1.43 -1.26 0.46 118.68 121.68 2kh2 s LEU 73 Ca 0.24 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.45 2kh2 s LEU 73 Cb 0.07 -2.43 0.01 0.00 0.03 0.00 0.00 46.19 43.87 2kh2 s LEU 73 CO 0.03 -0.28 -0.08 -0.54 0.23 0.00 0.00 176.35 175.72 2kh2 s LYS 74 N 2.11 0.95 -1.38 1.70 1.02 0.56 -4.79 119.74 119.90 2kh2 s LYS 74 Ca 0.15 -0.24 -0.08 0.00 0.02 0.00 0.00 55.97 55.82 2kh2 s LYS 74 Cb -0.16 -0.89 0.03 0.00 -0.52 0.00 0.00 37.83 36.29 2kh2 s LYS 74 CO 0.11 0.04 1.03 -3.47 -0.92 0.00 0.00 175.35 172.14 2kh2 n ASP 75 N 3.56 -4.47 -2.16 2.83 4.64 -1.26 -1.60 116.55 118.09 2kh2 n ASP 75 Ca -0.21 -0.67 -0.20 0.00 -1.38 0.00 0.00 54.79 52.34 2kh2 n ASP 75 Cb 0.53 -4.56 -0.03 0.00 -1.04 0.00 0.00 41.12 36.02 2kh2 n ASP 75 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 2kh2 n ASP 76 N -2.99 -5.60 -3.80 1.67 4.64 -1.26 -4.98 116.55 104.23 2kh2 n ASP 76 Ca -0.07 0.15 -0.13 0.00 -1.38 0.00 0.00 54.79 53.36 2kh2 n ASP 76 Cb 0.58 -4.75 -0.12 0.00 -1.04 0.00 0.00 41.12 35.79 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 2kh2 s LYS 77 N -4.65 0.22 -0.11 -0.67 2.47 -0.63 -5.12 119.74 111.25 2kh2 s LYS 77 Ca 0.00 0.28 -0.29 0.00 -1.56 0.00 0.00 55.97 54.40 2kh2 s LYS 77 Cb 0.00 0.09 -0.04 0.00 -1.46 0.00 0.00 37.83 36.42 2kh2 s LYS 77 CO 0.00 -0.04 1.58 -2.14 0.16 0.00 0.00 175.35 174.91 2kh2 s PRO 78 N 0.18 4.09 0.15 4.03 0.02 -1.26 -0.32 135.00 141.88 2kh2 s PRO 78 Ca -0.01 1.98 0.08 0.00 0.02 0.00 0.00 61.00 63.07 2kh2 s PRO 78 Cb -0.02 -3.96 -0.04 0.00 0.02 0.00 0.00 34.50 30.50 2kh2 s PRO 78 CO -0.00 -0.93 -0.17 0.99 -0.33 0.00 0.00 177.00 176.55 2kh2 s THR 79 N 4.24 1.67 0.02 0.99 2.01 0.17 -4.76 115.64 119.99 2kh2 s THR 79 Ca 0.70 -1.82 -0.04 0.00 0.31 0.00 0.00 61.69 60.84 2kh2 s THR 79 Cb -0.29 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 2kh2 s THR 79 CO 0.27 -0.31 0.24 -0.22 -0.69 0.00 0.00 174.62 173.90 2kh2 s LEU 80 N -2.52 4.36 0.29 4.42 2.96 -1.26 -1.15 118.68 125.77 2kh2 s LEU 80 Ca 0.13 0.45 -0.14 0.00 -0.22 0.00 0.00 54.13 54.34 2kh2 s LEU 80 Cb -0.06 -2.74 0.01 0.00 0.50 0.00 0.00 46.19 43.91 2kh2 s LEU 80 CO 0.05 0.23 0.58 0.00 -1.32 0.00 0.00 176.35 175.90 2kh2 s GLN 81 N -1.99 1.75 -0.30 1.98 -2.07 0.03 -4.93 119.66 114.13 2kh2 s GLN 81 Ca 0.29 -1.27 -0.10 0.00 -1.82 0.00 0.00 55.36 52.47 2kh2 s GLN 81 Cb -0.13 0.53 -0.02 0.00 -1.09 0.00 0.00 33.01 32.30 2kh2 s GLN 81 CO 0.19 -0.76 0.15 -0.51 -1.32 0.00 0.00 175.29 173.04 2kh2 s LEU 82 N -3.03 4.02 -0.20 2.60 2.01 -1.26 -0.42 118.68 122.41 2kh2 s LEU 82 Ca 0.19 -0.40 -0.08 0.00 0.01 0.00 0.00 54.13 53.86 2kh2 s LEU 82 Cb -0.03 -2.02 -0.04 0.00 0.01 0.00 0.00 46.19 44.12 2kh2 s LEU 82 CO 0.10 -0.15 0.08 -0.70 1.01 0.00 0.00 176.35 176.68 2kh2 s GLU 83 N 1.64 3.93 -0.65 1.70 2.12 0.56 -4.89 118.70 123.12 2kh2 s GLU 83 Ca 0.05 -0.36 -0.27 0.00 0.36 0.00 0.00 54.97 54.75 2kh2 s GLU 83 Cb -0.17 -3.27 0.03 0.00 0.26 0.00 0.00 34.13 30.99 2kh2 s GLU 83 CO 0.07 0.17 1.20 -1.54 -0.54 0.00 0.00 175.26 174.62 2kh2 s SER 84 N 0.66 6.30 0.19 -1.70 1.04 -1.26 -1.61 113.70 117.32 2kh2 s SER 84 Ca 0.04 -0.22 0.04 0.00 0.48 0.00 0.00 55.95 56.29 2kh2 s SER 84 Cb -0.13 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.42 2kh2 s SER 84 CO 0.02 -1.62 0.30 0.68 0.98 0.00 0.00 173.24 173.60 2kh2 s VAL 85 N 5.18 5.21 -0.04 5.02 -7.23 -0.47 -5.04 120.40 123.03 2kh2 s VAL 85 Ca 0.38 -0.87 -0.29 0.00 -1.81 0.00 0.00 61.98 59.38 2kh2 s VAL 85 Cb -0.08 -3.75 -0.08 0.00 0.56 0.00 0.00 36.38 33.03 2kh2 s VAL 85 CO 0.20 -0.21 2.05 -0.62 -0.31 0.00 0.00 175.10 176.21 2kh2 s ASP 86 N -3.57 6.14 0.60 4.85 3.68 -1.26 -4.83 116.67 122.28 2kh2 s ASP 86 Ca 0.34 2.44 0.37 0.00 2.13 0.00 0.00 52.55 57.84 2kh2 s ASP 86 Cb -0.10 -2.52 1.91 0.00 -1.45 0.00 0.00 42.92 40.75 2kh2 s ASP 86 CO 0.28 -1.33 2.20 1.55 0.13 0.00 0.00 175.17 178.00 2kh2 h PRO 87 N 11.98 0.00 0.00 4.34 0.13 -1.93 -1.61 132.00 144.92 2kh2 h PRO 87 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 2kh2 h PRO 87 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2kh2 h PRO 87 CO 0.95 0.02 -1.15 0.36 -0.23 0.00 0.00 178.00 177.95 2kh2 n LYS 88 N -3.24 0.61 -0.13 0.86 2.85 -1.26 -4.02 118.16 113.84 2kh2 n LYS 88 Ca -0.02 0.10 0.08 0.00 -1.05 0.00 0.00 58.31 57.42 2kh2 n LYS 88 Cb 0.17 -1.79 0.14 0.00 -0.65 0.00 0.00 35.03 32.90 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 -2.65 2.83 -4.06 -5.58 3.02 -0.95 -4.96 115.26 102.92 2kh2 n ASN 89 Ca -0.01 -1.84 -0.17 0.00 -0.03 0.00 0.00 54.58 52.53 2kh2 n ASN 89 Cb 0.58 -0.17 -0.13 0.00 -0.61 0.00 0.00 39.78 39.45 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 -1.15 0.81 0.86 3.10 1.51 -0.65 -4.50 117.35 117.34 2kh2 s TYR 90 Ca 0.26 -0.31 -0.08 0.00 -1.01 0.00 0.00 57.07 55.94 2kh2 s TYR 90 Cb 0.15 -0.49 0.18 0.00 -0.11 0.00 0.00 41.96 41.69 2kh2 s TYR 90 CO 0.21 -0.02 1.17 -1.25 -1.11 0.00 0.00 175.55 174.56 2kh2 s PRO 91 N -0.90 1.00 0.17 -1.71 0.04 -1.26 -4.74 135.00 127.60 2kh2 s PRO 91 Ca -0.02 -0.92 -0.11 0.00 0.04 0.00 0.00 61.00 59.99 2kh2 s PRO 91 Cb -0.06 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2kh2 s PRO 91 CO 0.00 -2.03 0.34 -1.59 0.04 0.00 0.00 177.00 173.77 2kh2 s LYS 92 N -5.53 1.21 0.04 4.56 -2.85 -1.26 -5.07 119.74 110.83 2kh2 s LYS 92 Ca 0.72 -1.09 -0.24 0.00 -1.00 0.00 0.00 55.97 54.35 2kh2 s LYS 92 Cb -0.03 0.41 -0.17 0.00 -2.06 0.00 0.00 37.83 35.98 2kh2 s LYS 92 CO 0.49 -0.46 1.52 -0.22 0.10 0.00 0.00 175.35 176.78 2kh2 h LYS 93 N 2.46 0.03 -4.24 1.78 3.11 -1.98 -3.37 116.57 114.36 2kh2 h LYS 93 Ca -0.31 -0.01 -0.75 0.00 -2.81 0.00 0.00 60.65 56.78 2kh2 h LYS 93 Cb 1.24 -0.00 -0.23 0.00 -1.00 0.00 0.00 32.23 32.23 2kh2 h LYS 93 CO 0.46 0.25 0.04 0.21 -2.81 0.00 0.00 179.45 177.60 2kh2 s LYS 94 N -5.26 3.23 0.66 1.90 2.47 -1.26 -2.79 119.74 118.69 2kh2 s LYS 94 Ca -0.14 -1.83 -0.01 0.00 -1.56 0.00 0.00 55.97 52.42 2kh2 s LYS 94 Cb 0.04 -4.38 0.08 0.00 -1.46 0.00 0.00 37.83 32.12 2kh2 s LYS 94 CO 0.67 -1.41 0.92 -1.64 0.16 0.00 0.00 175.35 174.05 2kh2 s MET 95 N 1.54 2.05 0.55 4.03 -1.94 -1.26 -5.07 119.30 119.20 2kh2 s MET 95 Ca 0.12 -0.87 -0.18 0.00 -1.71 0.00 0.00 55.69 53.05 2kh2 s MET 95 Cb -0.21 -2.36 -0.06 0.00 2.01 0.00 0.00 34.83 34.21 2kh2 s MET 95 CO -0.01 -1.16 1.07 -1.21 -0.01 0.00 0.00 175.02 173.70 2kh2 s GLU 96 N -5.02 3.48 0.61 2.03 8.01 -1.26 -4.90 118.70 121.64 2kh2 s GLU 96 Ca 0.62 1.36 0.32 0.00 0.01 0.00 0.00 54.97 57.28 2kh2 s GLU 96 Cb -0.08 -2.05 1.83 0.00 -4.31 0.00 0.00 34.13 29.52 2kh2 s GLU 96 CO 0.42 -0.70 2.16 -0.22 0.01 0.00 0.00 175.26 176.93 2kh2 h LYS 97 N 1.00 0.00 -0.00 1.61 1.63 -1.97 0.16 116.57 119.00 2kh2 h LYS 97 Ca -0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 2kh2 h LYS 97 Cb 1.23 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 2kh2 h LYS 97 CO 0.58 0.00 -0.05 2.89 -3.45 0.00 0.00 179.45 179.42 2kh2 n ARG 98 N -3.57 0.20 0.00 1.90 1.85 -1.26 -3.31 116.66 112.47 2kh2 n ARG 98 Ca -0.00 -0.02 0.04 0.00 -1.00 0.00 0.00 57.85 56.86 2kh2 n ARG 98 Cb 0.25 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 30.18 2kh2 n ARG 98 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2kh2 n PHE 99 N -1.38 0.00 -3.28 2.89 3.72 0.55 -1.34 117.46 118.62 2kh2 n PHE 99 Ca 0.10 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.10 2kh2 n PHE 99 Cb 0.30 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.76 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 -0.81 5.09 0.00 -4.37 1.01 -1.07 -4.15 120.40 116.11 2kh2 s VAL 100 Ca 0.08 0.69 0.04 0.00 0.00 0.00 0.00 61.98 62.80 2kh2 s VAL 100 Cb 0.07 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2kh2 s VAL 100 CO 0.13 0.05 -0.11 -0.36 0.00 0.00 0.00 175.10 174.81 2kh2 s PHE 101 N 2.25 2.77 -0.46 5.22 0.08 -0.31 -1.78 117.98 125.75 2kh2 s PHE 101 Ca 0.19 -0.12 -0.11 0.00 0.12 0.00 0.00 56.93 57.02 2kh2 s PHE 101 Cb -0.16 -1.58 0.10 0.00 -0.57 0.00 0.00 43.02 40.81 2kh2 s PHE 101 CO 0.10 0.31 0.33 1.21 -0.10 0.00 0.00 175.22 177.07 2kh2 s ASN 102 N -1.27 5.78 -0.54 1.36 3.04 0.21 -0.78 114.94 122.73 2kh2 s ASN 102 Ca 0.15 -1.65 -0.28 0.00 0.04 0.00 0.00 52.86 51.12 2kh2 s ASN 102 Cb -0.11 -2.04 -0.00 0.00 -1.54 0.00 0.00 41.25 37.56 2kh2 s ASN 102 CO 0.05 -0.64 1.61 -0.75 -3.04 0.00 0.00 177.10 174.33 2kh2 s LYS 103 N 1.45 3.11 0.17 0.43 2.20 -0.03 -1.37 119.74 125.70 2kh2 s LYS 103 Ca 0.04 0.65 -0.21 0.00 -0.36 0.00 0.00 55.97 56.10 2kh2 s LYS 103 Cb -0.25 -4.21 -0.08 0.00 -1.51 0.00 0.00 37.83 31.78 2kh2 s LYS 103 CO 0.02 -2.16 0.69 0.42 -0.36 0.00 0.00 175.35 173.96 2kh2 s ILE 104 N 7.07 4.57 -0.25 5.43 1.01 0.11 -1.35 121.20 137.78 2kh2 s ILE 104 Ca 0.61 1.35 -0.04 0.00 0.00 0.00 0.00 60.65 62.57 2kh2 s ILE 104 Cb -0.13 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.41 2kh2 s ILE 104 CO 0.25 0.37 -0.01 -0.70 0.00 0.00 0.00 174.94 174.85 2kh2 s GLU 105 N -1.56 3.09 -0.09 2.79 2.56 -0.76 -1.34 118.70 123.39 2kh2 s GLU 105 Ca 0.37 -0.82 -0.11 0.00 0.00 0.00 0.00 54.97 54.41 2kh2 s GLU 105 Cb -0.19 -3.11 -0.04 0.00 2.00 0.00 0.00 34.13 32.80 2kh2 s GLU 105 CO 0.22 -0.35 -0.21 0.44 -0.56 0.00 0.00 175.26 174.80 2kh2 n ILE 106 N 4.77 1.10 0.00 -3.70 -5.35 -1.18 -4.91 119.36 110.08 2kh2 n ILE 106 Ca -0.16 0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.56 2kh2 n ILE 106 Cb 0.49 -2.00 0.00 0.00 -1.74 0.00 0.00 39.64 36.39 2kh2 n ILE 106 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2kh2 n ASN 107 N -3.84 0.00 0.14 7.28 0.23 -1.26 -4.97 115.26 112.84 2kh2 n ASN 107 Ca -0.08 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 53.99 2kh2 n ASN 107 Cb 0.31 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.07 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 -1.67 0.53 2.35 -2.00 -3.46 115.58 111.34 2kh2 h ASN 108 Ca 0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 2kh2 h ASN 108 Cb 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.30 2kh2 h ASN 108 CO 0.00 0.50 -0.48 -0.54 -1.65 0.00 0.00 177.43 175.26 2kh2 s LYS 109 N -3.03 2.36 0.06 0.81 -0.14 -1.26 -5.01 119.74 113.53 2kh2 s LYS 109 Ca 0.03 -1.66 0.04 0.00 -1.36 0.00 0.00 55.97 53.02 2kh2 s LYS 109 Cb 0.08 -2.15 -0.03 0.00 -1.68 0.00 0.00 37.83 34.05 2kh2 s LYS 109 CO 0.74 -0.06 -0.11 -0.48 -0.76 0.00 0.00 175.35 174.68 2kh2 s LEU 110 N -3.94 2.28 0.18 3.17 0.05 -0.90 -3.12 118.68 116.40 2kh2 s LEU 110 Ca 0.42 -0.61 0.10 0.00 0.05 0.00 0.00 54.13 54.09 2kh2 s LEU 110 Cb -0.00 -0.32 -0.04 0.00 -2.05 0.00 0.00 46.19 43.78 2kh2 s LEU 110 CO 0.24 -0.16 -0.14 -1.61 -0.55 0.00 0.00 176.35 174.13 2kh2 s GLU 111 N -1.78 1.88 -0.38 1.48 2.02 -0.45 0.05 118.70 121.52 2kh2 s GLU 111 Ca -0.05 -1.36 -0.02 0.00 0.02 0.00 0.00 54.97 53.56 2kh2 s GLU 111 Cb -0.09 -2.05 0.09 0.00 0.10 0.00 0.00 34.13 32.18 2kh2 s GLU 111 CO 0.01 0.42 0.15 -0.06 0.02 0.00 0.00 175.26 175.80 2kh2 s PHE 112 N -1.69 3.52 0.06 1.61 0.08 -1.26 0.05 117.98 120.35 2kh2 s PHE 112 Ca 0.23 -2.29 -0.12 0.00 0.12 0.00 0.00 56.93 54.87 2kh2 s PHE 112 Cb -0.08 -2.94 -0.06 0.00 -0.57 0.00 0.00 43.02 39.36 2kh2 s PHE 112 CO 0.13 -0.93 0.42 -2.00 -0.10 0.00 0.00 175.22 172.75 2kh2 s GLU 113 N 1.16 3.84 -0.08 0.44 2.12 -0.47 -1.86 118.70 123.84 2kh2 s GLU 113 Ca 0.05 0.29 -0.28 0.00 0.36 0.00 0.00 54.97 55.39 2kh2 s GLU 113 Cb -0.22 -3.05 -0.02 0.00 0.26 0.00 0.00 34.13 31.10 2kh2 s GLU 113 CO -0.03 0.59 0.93 0.45 -0.54 0.00 0.00 175.26 176.65 2kh2 s SER 114 N -1.55 7.20 0.23 -1.70 0.15 0.10 0.64 113.70 118.76 2kh2 s SER 114 Ca 0.31 1.46 -0.03 0.00 0.70 0.00 0.00 55.95 58.39 2kh2 s SER 114 Cb -0.15 -2.52 0.22 0.00 -1.71 0.00 0.00 66.02 61.86 2kh2 s SER 114 CO 0.17 -0.34 1.65 0.00 1.20 0.00 0.00 173.24 175.91 2kh2 h ALA 115 N 7.01 0.92 -0.20 5.45 0.00 -1.60 -2.90 119.26 127.94 2kh2 h ALA 115 Ca -0.35 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.07 2kh2 h ALA 115 Cb 1.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2kh2 h ALA 115 CO 0.81 0.62 -0.40 0.37 0.00 0.00 0.00 179.25 180.65 2kh2 h GLN 116 N 0.64 0.46 -4.16 0.00 4.15 -1.76 -3.39 115.11 111.06 2kh2 h GLN 116 Ca 0.09 -0.23 -0.64 0.00 0.77 0.00 0.00 58.65 58.64 2kh2 h GLN 116 Cb 0.72 0.00 -0.40 0.00 0.21 0.00 0.00 27.48 28.00 2kh2 h GLN 116 CO 0.06 0.79 -0.70 -0.06 -1.93 0.00 0.00 178.83 176.98 2kh2 s PHE 117 N -4.22 3.29 0.29 3.99 0.08 -1.10 -5.10 117.98 115.22 2kh2 s PHE 117 Ca -0.06 -2.87 -0.30 0.00 0.12 0.00 0.00 56.93 53.82 2kh2 s PHE 117 Cb 0.13 -2.70 -0.11 0.00 -0.57 0.00 0.00 43.02 39.76 2kh2 s PHE 117 CO 0.81 -0.88 1.52 -2.14 -0.10 0.00 0.00 175.22 174.42 2kh2 s PRO 118 N 0.67 4.18 0.00 0.24 0.02 -1.24 -2.24 135.00 136.64 2kh2 s PRO 118 Ca 0.13 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.62 2kh2 s PRO 118 Cb -0.21 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.27 2kh2 s PRO 118 CO -0.08 -0.53 0.00 0.09 -0.33 0.00 0.00 177.00 176.16 2kh2 n ASN 119 N 1.91 -1.44 -4.38 2.53 5.03 -1.26 -5.01 115.26 112.63 2kh2 n ASN 119 Ca 0.06 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.15 2kh2 n ASN 119 Cb 0.39 -0.32 -0.13 0.00 -1.02 0.00 0.00 39.78 38.70 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 -3.00 3.07 0.21 3.10 0.52 -0.95 -4.36 118.94 117.53 2kh2 s TRP 120 Ca 0.00 -0.71 0.11 0.00 0.02 0.00 0.00 56.10 55.52 2kh2 s TRP 120 Cb 0.00 -2.21 -0.05 0.00 -1.15 0.00 0.00 33.47 30.06 2kh2 s TRP 120 CO 0.00 -0.47 -0.20 0.71 0.02 0.00 0.00 176.95 177.01 2kh2 s TYR 121 N 1.55 2.36 -0.04 -1.98 1.51 0.69 -0.72 117.35 120.72 2kh2 s TYR 121 Ca 0.05 -0.33 -0.30 0.00 -1.01 0.00 0.00 57.07 55.49 2kh2 s TYR 121 Cb -0.16 -1.13 -0.05 0.00 -0.11 0.00 0.00 41.96 40.51 2kh2 s TYR 121 CO 0.02 0.55 1.52 0.42 -1.11 0.00 0.00 175.55 176.95 2kh2 s ILE 122 N -1.88 3.66 0.17 2.71 1.01 -0.78 -0.13 121.20 125.96 2kh2 s ILE 122 Ca 0.24 0.92 0.07 0.00 0.00 0.00 0.00 60.65 61.88 2kh2 s ILE 122 Cb -0.07 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 2kh2 s ILE 122 CO 0.12 -0.05 -0.15 -0.44 0.00 0.00 0.00 174.94 174.42 2kh2 s SER 123 N 2.57 2.47 0.13 3.58 0.01 0.90 -4.48 113.70 118.88 2kh2 s SER 123 Ca 0.68 -0.93 0.06 0.00 1.31 0.00 0.00 55.95 57.07 2kh2 s SER 123 Cb -0.32 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 65.75 2kh2 s SER 123 CO 0.27 -0.13 -0.14 0.42 0.41 0.00 0.00 173.24 174.07 2kh2 s THR 124 N -2.54 1.39 0.78 1.44 -4.23 -0.93 -2.22 115.64 109.32 2kh2 s THR 124 Ca 0.18 -1.77 -0.09 0.00 -1.18 0.00 0.00 61.69 58.82 2kh2 s THR 124 Cb -0.03 -1.60 0.10 0.00 1.34 0.00 0.00 72.50 72.31 2kh2 s THR 124 CO 0.06 -0.43 1.11 -0.44 -0.54 0.00 0.00 174.62 174.38 2kh2 s SER 125 N -2.54 4.40 0.06 3.99 0.01 -1.26 -1.64 113.70 116.72 2kh2 s SER 125 Ca 0.10 0.43 0.26 0.00 1.31 0.00 0.00 55.95 58.05 2kh2 s SER 125 Cb -0.04 -0.91 0.67 0.00 0.21 0.00 0.00 66.02 65.94 2kh2 s SER 125 CO 0.03 -1.90 1.55 0.00 0.41 0.00 0.00 173.24 173.34 2kh2 n GLN 126 N -3.16 0.11 -2.52 12.44 1.13 -1.26 -4.87 117.38 119.25 2kh2 n GLN 126 Ca 0.10 0.05 -0.27 0.00 -1.94 0.00 0.00 57.00 54.94 2kh2 n GLN 126 Cb 0.60 -1.59 0.02 0.00 0.11 0.00 0.00 30.24 29.38 2kh2 n GLN 126 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kh2 s ALA 127 N -3.06 3.37 0.26 -1.58 0.00 -1.26 -5.07 121.76 114.41 2kh2 s ALA 127 Ca 0.10 -0.63 -0.19 0.00 0.00 0.00 0.00 51.96 51.25 2kh2 s ALA 127 Cb 0.16 -2.58 -0.09 0.00 0.00 0.00 0.00 23.12 20.62 2kh2 s ALA 127 CO 0.65 -0.58 0.74 -2.00 0.00 0.00 0.00 175.76 174.57 2kh2 s GLU 128 N -4.86 4.20 -1.05 0.00 2.56 -1.26 -4.04 118.70 114.25 2kh2 s GLU 128 Ca 0.51 0.84 -0.00 0.00 0.00 0.00 0.00 54.97 56.32 2kh2 s GLU 128 Cb -0.10 -2.74 0.00 0.00 2.00 0.00 0.00 34.13 33.28 2kh2 s GLU 128 CO 0.45 0.32 0.03 -1.71 -0.56 0.00 0.00 175.26 173.78 2kh2 n ASN 129 N 0.40 -3.95 -4.84 -1.70 5.15 -1.23 -5.01 115.26 104.08 2kh2 n ASN 129 Ca -0.00 -0.02 -0.37 0.00 -0.60 0.00 0.00 54.58 53.58 2kh2 n ASN 129 Cb 0.52 -3.13 -0.06 0.00 -0.53 0.00 0.00 39.78 36.58 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 -4.67 3.92 0.99 1.20 -1.94 -1.19 -4.84 119.30 112.77 2kh2 s MET 130 Ca 0.01 0.41 -0.13 0.00 -1.71 0.00 0.00 55.69 54.28 2kh2 s MET 130 Cb -0.01 -3.17 0.18 0.00 2.01 0.00 0.00 34.83 33.85 2kh2 s MET 130 CO 0.02 0.65 1.11 -2.14 -0.01 0.00 0.00 175.02 174.66 2kh2 s PRO 131 N -1.27 0.53 -0.17 2.03 0.02 -1.26 0.24 135.00 135.13 2kh2 s PRO 131 Ca 0.27 0.36 -0.13 0.00 0.02 0.00 0.00 61.00 61.51 2kh2 s PRO 131 Cb -0.16 -1.76 -0.05 0.00 0.02 0.00 0.00 34.50 32.55 2kh2 s PRO 131 CO 0.15 -2.62 0.27 0.08 -0.33 0.00 0.00 177.00 174.55 2kh2 s VAL 132 N -3.10 5.32 0.29 3.83 1.01 -0.86 -4.55 120.40 122.33 2kh2 s VAL 132 Ca 0.65 0.50 0.05 0.00 0.00 0.00 0.00 61.98 63.18 2kh2 s VAL 132 Cb -0.16 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2kh2 s VAL 132 CO 0.56 0.40 0.23 0.72 0.00 0.00 0.00 175.10 177.00 2kh2 s PHE 133 N 0.45 1.57 -0.23 5.22 -0.12 -0.94 -4.90 117.98 119.03 2kh2 s PHE 133 Ca 0.15 -1.56 -0.09 0.00 -0.05 0.00 0.00 56.93 55.38 2kh2 s PHE 133 Cb -0.13 -0.68 -0.04 0.00 -0.63 0.00 0.00 43.02 41.54 2kh2 s PHE 133 CO 0.03 -0.78 0.12 -1.17 -0.05 0.00 0.00 175.22 173.37 2kh2 s LEU 134 N -3.31 3.93 0.15 -1.99 2.96 -1.26 -0.07 118.68 119.08 2kh2 s LEU 134 Ca 0.40 0.05 0.08 0.00 -0.22 0.00 0.00 54.13 54.44 2kh2 s LEU 134 Cb 0.04 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 2kh2 s LEU 134 CO 0.22 0.08 -0.18 -0.83 -1.32 0.00 0.00 176.35 174.32 2kh2 s GLY 135 N 0.97 1.33 0.00 7.98 0.00 0.82 -4.88 107.32 113.53 2kh2 s GLY 135 Ca 0.06 -1.42 0.08 0.00 0.00 0.00 0.00 44.72 43.44 2kh2 s GLY 135 CO 0.03 -1.47 0.69 0.61 0.00 0.00 0.00 173.10 172.97 2kh2 n GLY 136 N 0.46 -0.47 3.17 0.20 0.00 -1.26 -0.22 105.19 107.07 2kh2 n GLY 136 Ca -0.15 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 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 0.20 4.31 -2.29 2.61 -2.24 -1.26 -4.88 114.28 110.72 2kh2 n THR 137 Ca 0.04 -4.57 -0.43 0.00 -2.27 0.00 0.00 64.05 56.82 2kh2 n THR 137 Cb 0.20 -2.41 -0.02 0.00 -2.10 0.00 0.00 70.33 65.99 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 0.97 3.51 0.00 -0.78 2.20 -1.26 -2.62 119.74 121.75 2kh2 s LYS 138 Ca 0.41 0.98 0.00 0.00 -0.36 0.00 0.00 55.97 57.00 2kh2 s LYS 138 Cb 0.03 -4.06 0.00 0.00 -1.51 0.00 0.00 37.83 32.29 2kh2 s LYS 138 CO 0.00 -1.65 0.00 0.41 -0.36 0.00 0.00 175.35 173.75 2kh2 n GLY 139 N 5.16 1.19 0.00 5.54 0.00 -1.26 -5.10 105.19 110.72 2kh2 n GLY 139 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.60 2.65 0.10 -0.02 0.00 -1.08 -5.01 105.19 100.24 2kh2 n GLY 140 Ca 0.00 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.60 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 0.16 -7.32 1.61 7.50 -1.99 -3.46 115.11 111.61 2kh2 h GLN 141 Ca 0.00 -0.23 -0.51 0.00 0.50 0.00 0.00 58.65 58.41 2kh2 h GLN 141 Cb 0.00 0.08 0.13 0.00 0.05 0.00 0.00 27.48 27.74 2kh2 h GLN 141 CO 0.00 1.06 0.32 -0.51 -1.50 0.00 0.00 178.83 178.19 2kh2 s ASP 142 N -6.93 4.47 -0.25 1.46 1.01 -1.26 -4.64 116.67 110.52 2kh2 s ASP 142 Ca -0.02 1.75 -0.07 0.00 0.71 0.00 0.00 52.55 54.92 2kh2 s ASP 142 Cb 0.09 -2.47 -0.03 0.00 1.01 0.00 0.00 42.92 41.53 2kh2 s ASP 142 CO 0.84 -2.04 0.07 -0.63 0.21 0.00 0.00 175.17 173.62 2kh2 s ILE 143 N -2.93 4.26 -0.21 0.77 1.01 -0.65 -4.70 121.20 118.75 2kh2 s ILE 143 Ca 0.61 -0.21 0.14 0.00 0.00 0.00 0.00 60.65 61.19 2kh2 s ILE 143 Cb -0.17 -3.00 -0.20 0.00 0.01 0.00 0.00 42.46 39.10 2kh2 s ILE 143 CO 0.56 0.33 0.39 0.35 0.00 0.00 0.00 174.94 176.57 2kh2 n THR 144 N 4.92 0.00 -3.25 2.92 -2.24 -1.26 -2.20 114.28 113.17 2kh2 n THR 144 Ca -0.16 -0.28 -0.38 0.00 -2.27 0.00 0.00 64.05 60.96 2kh2 n THR 144 Cb 0.51 0.43 -0.06 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 -3.22 7.07 0.24 3.42 -4.77 -1.26 -4.17 116.67 113.98 2kh2 s ASP 145 Ca -0.02 1.28 0.03 0.00 -3.30 0.00 0.00 52.55 50.54 2kh2 s ASP 145 Cb 0.09 -2.37 -0.05 0.00 -1.09 0.00 0.00 42.92 39.51 2kh2 s ASP 145 CO 0.58 0.25 0.04 -0.36 0.70 0.00 0.00 175.17 176.38 2kh2 s PHE 146 N -1.15 1.56 -0.07 2.11 0.08 0.11 -3.90 117.98 116.71 2kh2 s PHE 146 Ca 0.31 -1.03 0.05 0.00 0.12 0.00 0.00 56.93 56.38 2kh2 s PHE 146 Cb -0.19 -0.92 -0.00 0.00 -0.57 0.00 0.00 43.02 41.33 2kh2 s PHE 146 CO 0.20 -0.15 -0.23 0.99 -0.10 0.00 0.00 175.22 175.93 2kh2 s THR 147 N -3.55 1.90 -0.42 0.64 2.01 0.16 -2.13 115.64 114.26 2kh2 s THR 147 Ca 0.32 -0.95 -0.09 0.00 0.31 0.00 0.00 61.69 61.27 2kh2 s THR 147 Cb 0.07 -1.63 0.08 0.00 0.01 0.00 0.00 72.50 71.02 2kh2 s THR 147 CO 0.11 0.53 0.27 -0.32 -0.69 0.00 0.00 174.62 174.51 2kh2 s MET 148 N 0.13 2.62 -0.25 4.92 1.75 -1.26 -2.10 119.30 125.12 2kh2 s MET 148 Ca -0.11 -1.45 -0.10 0.00 -1.25 0.00 0.00 55.69 52.78 2kh2 s MET 148 Cb -0.15 -3.80 -0.05 0.00 2.84 0.00 0.00 34.83 33.67 2kh2 s MET 148 CO 0.06 -0.95 0.15 -0.65 -0.65 0.00 0.00 175.02 172.97 2kh2 s GLN 149 N 1.44 3.98 -0.05 4.11 1.11 -0.55 -4.91 119.66 124.79 2kh2 s GLN 149 Ca 0.03 -0.31 -0.29 0.00 0.01 0.00 0.00 55.36 54.80 2kh2 s GLN 149 Cb -0.23 -3.51 -0.02 0.00 -1.01 0.00 0.00 33.01 28.23 2kh2 s GLN 149 CO 0.02 -0.01 0.96 -0.06 0.01 0.00 0.00 175.29 176.21 2kh2 s PHE 150 N 1.23 3.59 0.53 0.91 0.40 -1.26 -0.57 117.98 122.81 2kh2 s PHE 150 Ca 0.07 1.61 0.06 0.00 -0.60 0.00 0.00 56.93 58.07 2kh2 s PHE 150 Cb -0.14 -3.11 0.04 0.00 0.51 0.00 0.00 43.02 40.31 2kh2 s PHE 150 CO 0.06 -0.08 0.45 0.14 0.70 0.00 0.00 175.22 176.49 2kh2 s VAL 151 N 1.37 1.87 -1.34 -0.44 -7.23 -1.22 -4.98 120.40 108.43 2kh2 s VAL 151 Ca 0.49 -1.41 -0.14 0.00 -1.81 0.00 0.00 61.98 59.11 2kh2 s VAL 151 Cb -0.20 -2.27 0.09 0.00 0.56 0.00 0.00 36.38 34.56 2kh2 s VAL 151 CO 0.23 0.00 1.90 -1.20 -0.31 0.00 0.00 175.10 175.72 2kh2 n SER 152 N -1.80 4.62 0.00 4.85 7.64 -1.26 -4.91 113.62 122.76 2kh2 n SER 152 Ca 0.02 -2.93 0.00 0.00 1.01 0.00 0.00 58.87 56.96 2kh2 n SER 152 Cb 0.64 -1.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83