#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 0.36 -5.58 0.00 0.11 -2.10 -3.41 132.00 121.38 2kh2 h PRO 2 Ca 0.00 -0.17 -0.60 0.00 0.11 0.00 0.00 66.00 65.34 2kh2 h PRO 2 Cb 0.00 -0.00 -0.11 0.00 0.11 0.00 0.00 31.00 31.00 2kh2 h PRO 2 CO 0.00 0.69 0.18 0.54 -0.21 0.00 0.00 178.00 179.20 2kh2 s VAL 3 N -4.22 4.98 -0.17 3.15 0.11 -1.26 -5.05 120.40 117.95 2kh2 s VAL 3 Ca -0.06 1.19 -0.06 0.00 -2.93 0.00 0.00 61.98 60.12 2kh2 s VAL 3 Cb 0.13 -3.95 -0.04 0.00 -1.53 0.00 0.00 36.38 30.99 2kh2 s VAL 3 CO 0.79 0.04 0.03 -0.13 -3.33 0.00 0.00 175.10 172.50 2kh2 s ARG 4 N 2.36 3.81 -0.01 1.54 0.52 -1.26 -5.09 118.95 120.81 2kh2 s ARG 4 Ca 0.28 -0.40 -0.16 0.00 -0.52 0.00 0.00 55.73 54.93 2kh2 s ARG 4 Cb -0.16 -3.09 0.03 0.00 0.52 0.00 0.00 34.95 32.25 2kh2 s ARG 4 CO 0.09 0.30 0.34 -1.12 0.02 0.00 0.00 175.30 174.93 2kh2 s SER 5 N 0.25 -0.23 0.23 0.23 0.01 -1.26 -4.25 113.70 108.68 2kh2 s SER 5 Ca 0.02 0.13 0.07 0.00 1.31 0.00 0.00 55.95 57.47 2kh2 s SER 5 Cb -0.13 0.33 -0.05 0.00 0.21 0.00 0.00 66.02 66.38 2kh2 s SER 5 CO 0.01 -0.47 -0.11 -0.76 0.41 0.00 0.00 173.24 172.33 2kh2 s LEU 6 N -1.34 2.51 -0.11 2.44 1.02 -1.14 -4.99 118.68 117.08 2kh2 s LEU 6 Ca -0.13 -1.08 0.01 0.00 0.02 0.00 0.00 54.13 52.95 2kh2 s LEU 6 Cb -0.05 -0.63 -0.02 0.00 0.02 0.00 0.00 46.19 45.52 2kh2 s LEU 6 CO 0.05 -0.24 -0.15 0.20 0.02 0.00 0.00 176.35 176.22 2kh2 s ASN 7 N -3.35 3.87 0.08 2.29 0.01 -1.26 -0.71 114.94 115.87 2kh2 s ASN 7 Ca 0.25 -0.33 -0.11 0.00 -0.71 0.00 0.00 52.86 51.96 2kh2 s ASN 7 Cb 0.01 -1.38 0.01 0.00 0.41 0.00 0.00 41.25 40.30 2kh2 s ASN 7 CO 0.08 0.21 0.24 0.00 -1.51 0.00 0.00 177.10 176.12 2kh2 s THR 9 N -3.42 4.63 -0.23 0.00 -4.23 0.96 -0.50 115.64 112.85 2kh2 s THR 9 Ca 0.01 -0.11 -0.12 0.00 -1.18 0.00 0.00 61.69 60.29 2kh2 s THR 9 Cb 0.02 -3.01 -0.05 0.00 1.34 0.00 0.00 72.50 70.81 2kh2 s THR 9 CO -0.09 0.55 0.24 -0.76 -0.54 0.00 0.00 174.62 174.02 2kh2 s LEU 10 N -0.39 4.12 -0.01 4.79 1.43 -1.26 -2.36 118.68 124.99 2kh2 s LEU 10 Ca 0.09 0.22 0.05 0.00 -1.03 0.00 0.00 54.13 53.46 2kh2 s LEU 10 Cb -0.12 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.85 2kh2 s LEU 10 CO 0.02 0.01 -0.17 -0.13 0.23 0.00 0.00 176.35 176.31 2kh2 s ARG 11 N 1.21 1.37 0.91 1.70 0.52 -1.21 -3.75 118.95 119.69 2kh2 s ARG 11 Ca 0.11 -0.60 -0.11 0.00 -0.52 0.00 0.00 55.73 54.61 2kh2 s ARG 11 Cb -0.14 -1.33 0.20 0.00 0.52 0.00 0.00 34.95 34.20 2kh2 s ARG 11 CO 0.06 0.36 1.23 -0.40 0.02 0.00 0.00 175.30 176.58 2kh2 n ASP 12 N 2.67 0.55 -0.50 0.23 5.75 -0.91 -0.23 116.55 124.11 2kh2 n ASP 12 Ca -0.15 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 52.91 2kh2 n ASP 12 Cb 0.54 -0.90 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 2kh2 n ASP 12 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2kh2 n SER 13 N -3.53 0.97 -0.02 -1.12 3.41 -1.26 -2.84 113.62 109.24 2kh2 n SER 13 Ca 0.17 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 2kh2 n SER 13 Cb 0.59 -0.48 0.01 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.02 1.58 -1.65 4.33 1.13 -1.26 -4.98 117.38 116.54 2kh2 n GLN 14 Ca 0.00 -1.10 -0.10 0.00 -1.94 0.00 0.00 57.00 53.85 2kh2 n GLN 14 Cb 0.24 -0.79 -0.03 0.00 0.11 0.00 0.00 30.24 29.77 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 -0.31 -0.75 -3.51 -1.09 1.13 -1.13 -4.96 117.38 106.76 2kh2 n GLN 15 Ca 0.01 0.72 -0.37 0.00 -1.94 0.00 0.00 57.00 55.42 2kh2 n GLN 15 Cb 0.38 -4.70 -0.06 0.00 0.11 0.00 0.00 30.24 25.97 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 -3.52 3.88 0.13 -1.09 1.02 -1.26 -4.14 119.74 114.76 2kh2 s LYS 16 Ca 0.00 0.35 0.09 0.00 0.02 0.00 0.00 55.97 56.42 2kh2 s LYS 16 Cb 0.00 -3.12 -0.04 0.00 -0.52 0.00 0.00 37.83 34.15 2kh2 s LYS 16 CO 0.00 0.63 -0.15 -1.12 -0.92 0.00 0.00 175.35 173.79 2kh2 s SER 17 N -1.37 4.06 -0.16 2.83 0.01 0.14 -2.14 113.70 117.08 2kh2 s SER 17 Ca 0.28 -0.54 -0.23 0.00 1.31 0.00 0.00 55.95 56.78 2kh2 s SER 17 Cb -0.16 -0.63 -0.02 0.00 0.21 0.00 0.00 66.02 65.41 2kh2 s SER 17 CO 0.16 0.16 0.70 -0.76 0.41 0.00 0.00 173.24 173.90 2kh2 s LEU 18 N -2.34 4.19 0.07 2.44 1.43 -1.25 -1.78 118.68 121.45 2kh2 s LEU 18 Ca 0.20 1.01 0.07 0.00 -1.03 0.00 0.00 54.13 54.38 2kh2 s LEU 18 Cb -0.10 -3.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.06 2kh2 s LEU 18 CO 0.12 -0.27 -0.18 0.68 0.23 0.00 0.00 176.35 176.93 2kh2 s VAL 19 N 1.71 1.42 -0.56 -1.59 -7.23 0.13 -2.74 120.40 111.54 2kh2 s VAL 19 Ca 0.33 -1.32 -0.28 0.00 -1.81 0.00 0.00 61.98 58.90 2kh2 s VAL 19 Cb -0.16 -1.30 0.02 0.00 0.56 0.00 0.00 36.38 35.49 2kh2 s VAL 19 CO 0.13 -0.06 1.32 -0.04 -0.31 0.00 0.00 175.10 176.14 2kh2 s MET 20 N -1.61 3.42 0.00 4.82 -1.94 -1.26 -1.36 119.30 121.36 2kh2 s MET 20 Ca 0.03 0.41 0.00 0.00 -1.71 0.00 0.00 55.69 54.42 2kh2 s MET 20 Cb -0.09 -4.07 0.00 0.00 2.01 0.00 0.00 34.83 32.68 2kh2 s MET 20 CO 0.03 -1.80 0.11 0.45 -0.01 0.00 0.00 175.02 173.80 2kh2 n SER 21 N 9.03 0.00 -2.51 3.03 2.88 0.16 -4.97 113.62 121.24 2kh2 n SER 21 Ca 0.11 0.11 -0.04 0.00 -1.33 0.00 0.00 58.87 57.72 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 1.78 1.33 0.23 0.46 0.00 -1.20 -4.93 105.19 102.86 2kh2 n GLY 22 Ca 0.00 -2.06 0.05 0.00 0.00 0.00 0.00 46.02 44.02 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 0.05 -0.48 1.61 0.13 -2.04 -3.13 132.00 128.14 2kh2 h PRO 23 Ca -0.06 -0.01 -0.33 0.00 -0.87 0.00 0.00 66.00 64.73 2kh2 h PRO 23 Cb 0.23 -0.01 -0.38 0.00 0.13 0.00 0.00 31.00 30.97 2kh2 h PRO 23 CO 0.07 0.19 -0.95 0.66 -0.23 0.00 0.00 178.00 177.74 2kh2 n TYR 24 N -4.35 1.61 -3.91 1.56 4.01 -1.26 -5.06 117.16 109.77 2kh2 n TYR 24 Ca -0.02 -1.97 -0.13 0.00 -0.16 0.00 0.00 57.90 55.62 2kh2 n TYR 24 Cb 0.22 -0.27 -0.14 0.00 -0.31 0.00 0.00 39.34 38.84 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 -3.34 0.08 -0.05 -0.72 2.12 -1.18 -4.50 118.70 111.11 2kh2 s GLU 25 Ca 0.38 -0.01 0.06 0.00 0.36 0.00 0.00 54.97 55.76 2kh2 s GLU 25 Cb 0.36 -0.12 -0.01 0.00 0.26 0.00 0.00 34.13 34.63 2kh2 s GLU 25 CO -0.02 -0.01 -0.22 -0.51 -0.54 0.00 0.00 175.26 173.96 2kh2 s LEU 26 N 0.14 2.02 0.09 2.70 1.43 -1.26 -0.66 118.68 123.13 2kh2 s LEU 26 Ca -0.01 -0.44 0.07 0.00 -1.03 0.00 0.00 54.13 52.71 2kh2 s LEU 26 Cb -0.02 -1.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.95 2kh2 s LEU 26 CO -0.00 0.22 -0.18 -0.54 0.23 0.00 0.00 176.35 176.08 2kh2 s LYS 27 N -0.17 0.98 -0.20 1.70 1.02 -0.47 -1.83 119.74 120.77 2kh2 s LYS 27 Ca -0.01 -1.08 -0.03 0.00 0.02 0.00 0.00 55.97 54.87 2kh2 s LYS 27 Cb -0.12 -1.11 -0.01 0.00 -0.52 0.00 0.00 37.83 36.07 2kh2 s LYS 27 CO 0.02 0.25 -0.07 0.00 -0.92 0.00 0.00 175.35 174.64 2kh2 s ALA 28 N -1.27 2.75 0.23 5.17 0.00 0.26 -0.69 121.76 128.21 2kh2 s ALA 28 Ca 0.03 -1.13 -0.09 0.00 0.00 0.00 0.00 51.96 50.77 2kh2 s ALA 28 Cb -0.10 -1.58 -0.02 0.00 0.00 0.00 0.00 23.12 21.42 2kh2 s ALA 28 CO 0.03 -0.32 0.36 -0.48 0.00 0.00 0.00 175.76 175.36 2kh2 s LEU 29 N 1.28 0.61 -0.31 0.00 0.05 -0.73 -2.95 118.68 116.63 2kh2 s LEU 29 Ca 0.03 -1.07 -0.29 0.00 0.05 0.00 0.00 54.13 52.85 2kh2 s LEU 29 Cb -0.14 1.30 -0.01 0.00 -2.05 0.00 0.00 46.19 45.29 2kh2 s LEU 29 CO -0.03 -1.03 1.50 -1.00 -0.55 0.00 0.00 176.35 175.24 2kh2 s HIS 30 N -4.06 2.30 -0.41 3.48 3.76 -1.26 0.24 115.29 119.34 2kh2 s HIS 30 Ca 0.27 0.68 0.01 0.00 -0.15 0.00 0.00 55.06 55.87 2kh2 s HIS 30 Cb 0.02 -4.07 0.11 0.00 1.11 0.00 0.00 32.58 29.75 2kh2 s HIS 30 CO 0.09 -2.35 0.16 -1.17 -0.85 0.00 0.00 174.74 170.63 2kh2 s LEU 31 N 5.26 4.95 0.00 0.89 2.96 -1.26 -4.95 118.68 126.53 2kh2 s LEU 31 Ca 0.66 -2.25 0.00 0.00 -0.22 0.00 0.00 54.13 52.31 2kh2 s LEU 31 Cb -0.19 -1.73 0.00 0.00 0.50 0.00 0.00 46.19 44.77 2kh2 s LEU 31 CO 0.29 -0.43 0.00 0.00 -1.32 0.00 0.00 176.35 174.89 2kh2 n GLN 32 N 4.20 3.18 0.00 1.98 6.02 -1.26 -4.73 117.38 126.78 2kh2 n GLN 32 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2kh2 n GLN 32 Cb 0.40 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.66 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 3.98 2.72 0.46 1.08 0.00 -1.26 -2.76 105.19 109.41 2kh2 n GLY 33 Ca 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 46.02 45.70 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 13.63 2.87 -0.24 1.61 -0.06 -1.26 -4.45 117.38 129.48 2kh2 n GLN 34 Ca 0.00 -1.96 0.08 0.00 -2.00 0.00 0.00 57.00 53.12 2kh2 n GLN 34 Cb 0.00 -1.24 0.23 0.00 -4.06 0.00 0.00 30.24 25.17 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 0.11 2.64 0.31 1.69 4.64 -1.11 -4.22 116.55 120.61 2kh2 n ASP 35 Ca 0.09 -1.98 0.19 0.00 -1.38 0.00 0.00 54.79 51.71 2kh2 n ASP 35 Cb 0.41 -0.32 0.99 0.00 -1.04 0.00 0.00 41.12 41.16 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 -0.82 0.00 0.00 177.20 176.35 2kh2 h MET 36 N 2.94 0.00 0.00 -0.67 4.05 -1.78 -2.47 114.93 117.00 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 0.67 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.47 2kh2 h MET 36 CO 0.00 0.02 0.00 0.39 0.23 0.00 0.00 176.91 177.55 2kh2 n GLU 37 N -3.22 0.10 -0.00 0.39 -0.58 -1.26 -1.40 120.64 114.67 2kh2 n GLU 37 Ca -0.02 0.51 0.13 0.00 -0.42 0.00 0.00 57.16 57.37 2kh2 n GLU 37 Cb 0.16 -1.77 0.75 0.00 -0.57 0.00 0.00 31.44 30.01 2kh2 n GLU 37 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2kh2 n GLN 38 N -1.97 1.06 -1.77 3.49 6.02 -0.93 -4.87 117.38 118.41 2kh2 n GLN 38 Ca 0.00 -0.09 -0.42 0.00 -0.01 0.00 0.00 57.00 56.48 2kh2 n GLN 38 Cb 0.08 -1.41 -0.03 0.00 1.02 0.00 0.00 30.24 29.90 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 -1.99 4.14 -0.03 -1.09 -2.07 -0.49 -4.78 119.66 113.35 2kh2 s GLN 39 Ca 0.39 2.56 -0.25 0.00 -1.82 0.00 0.00 55.36 56.23 2kh2 s GLN 39 Cb 0.18 -3.08 -0.04 0.00 -1.09 0.00 0.00 33.01 28.98 2kh2 s GLN 39 CO 0.30 -0.71 0.79 0.08 -1.32 0.00 0.00 175.29 174.43 2kh2 s VAL 40 N 1.04 4.96 -0.20 3.63 1.01 -1.11 -5.04 120.40 124.69 2kh2 s VAL 40 Ca 0.73 1.64 -0.11 0.00 0.00 0.00 0.00 61.98 64.24 2kh2 s VAL 40 Cb -0.48 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 31.72 2kh2 s VAL 40 CO 0.34 0.24 0.18 -0.69 0.00 0.00 0.00 175.10 175.16 2kh2 s VAL 41 N 0.74 5.38 -0.20 2.92 1.01 -1.26 -4.48 120.40 124.51 2kh2 s VAL 41 Ca 0.42 0.28 -0.08 0.00 0.00 0.00 0.00 61.98 62.59 2kh2 s VAL 41 Cb -0.19 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2kh2 s VAL 41 CO 0.22 0.41 0.09 -0.36 0.00 0.00 0.00 175.10 175.45 2kh2 s PHE 42 N 0.51 3.27 -0.22 5.22 0.40 0.34 -1.76 117.98 125.74 2kh2 s PHE 42 Ca 0.10 0.10 -0.24 0.00 -0.60 0.00 0.00 56.93 56.30 2kh2 s PHE 42 Cb -0.12 -2.12 -0.01 0.00 0.51 0.00 0.00 43.02 41.28 2kh2 s PHE 42 CO 0.00 0.13 0.78 -1.12 0.70 0.00 0.00 175.22 175.71 2kh2 s SER 43 N 0.53 6.81 -0.45 1.36 0.01 0.04 -1.72 113.70 120.27 2kh2 s SER 43 Ca 0.05 1.00 -0.16 0.00 1.31 0.00 0.00 55.95 58.14 2kh2 s SER 43 Cb -0.12 -2.42 0.05 0.00 0.21 0.00 0.00 66.02 63.74 2kh2 s SER 43 CO 0.01 -0.44 0.39 -0.04 0.41 0.00 0.00 173.24 173.57 2kh2 s MET 44 N 2.51 3.00 -0.07 12.44 -1.94 0.12 -2.84 119.30 132.51 2kh2 s MET 44 Ca 0.34 -1.12 -0.13 0.00 -1.71 0.00 0.00 55.69 53.07 2kh2 s MET 44 Cb -0.16 -4.05 -0.05 0.00 2.01 0.00 0.00 34.83 32.58 2kh2 s MET 44 CO 0.09 -0.93 0.32 -1.12 -0.01 0.00 0.00 175.02 173.38 2kh2 s SER 45 N 2.18 6.62 -0.39 3.03 0.01 -1.16 -2.88 113.70 121.11 2kh2 s SER 45 Ca 0.06 0.74 -0.24 0.00 1.31 0.00 0.00 55.95 57.82 2kh2 s SER 45 Cb -0.21 -2.19 0.02 0.00 0.21 0.00 0.00 66.02 63.84 2kh2 s SER 45 CO 0.09 0.29 0.83 -0.36 0.41 0.00 0.00 173.24 174.50 2kh2 s PHE 46 N -0.67 3.06 0.00 2.43 0.40 -1.26 -0.57 117.98 121.38 2kh2 s PHE 46 Ca 0.20 0.53 0.00 0.00 -0.60 0.00 0.00 56.93 57.06 2kh2 s PHE 46 Cb -0.15 -3.57 0.00 0.00 0.51 0.00 0.00 43.02 39.81 2kh2 s PHE 46 CO 0.09 -0.84 0.00 1.33 0.70 0.00 0.00 175.22 176.50 2kh2 n VAL 47 N 5.97 0.00 -3.79 -0.44 0.24 -1.21 -4.76 118.33 114.34 2kh2 n VAL 47 Ca 0.04 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.08 2kh2 n VAL 47 Cb 0.48 -1.32 -0.17 0.00 -1.47 0.00 0.00 33.84 31.37 2kh2 n VAL 47 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2kh2 s GLN 48 N -0.92 0.84 0.00 7.34 0.74 -1.17 -4.94 119.66 121.55 2kh2 s GLN 48 Ca 0.00 -0.23 0.00 0.00 0.05 0.00 0.00 55.36 55.18 2kh2 s GLN 48 Cb 0.00 -1.63 0.00 0.00 1.10 0.00 0.00 33.01 32.48 2kh2 s GLN 48 CO 0.00 -0.45 0.00 0.41 -0.55 0.00 0.00 175.29 174.70 2kh2 n GLY 49 N 5.05 -0.49 3.41 2.59 0.00 -1.26 -4.93 105.19 109.55 2kh2 n GLY 49 Ca -0.09 0.61 -0.36 0.00 0.00 0.00 0.00 46.02 46.18 2kh2 n GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kh2 n GLU 50 N 0.00 2.14 -2.92 1.61 4.71 -1.26 -4.88 120.64 120.04 2kh2 n GLU 50 Ca 0.00 -2.59 -0.44 0.00 -0.01 0.00 0.00 57.16 54.12 2kh2 n GLU 50 Cb 0.00 -3.47 -0.01 0.00 -1.01 0.00 0.00 31.44 26.94 2kh2 n GLU 50 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2kh2 s GLU 51 N 5.26 3.84 0.31 3.49 2.12 -1.26 -3.84 118.70 128.61 2kh2 s GLU 51 Ca 0.60 -2.14 0.04 0.00 0.36 0.00 0.00 54.97 53.83 2kh2 s GLU 51 Cb 0.05 -5.01 -0.02 0.00 0.26 0.00 0.00 34.13 29.41 2kh2 s GLU 51 CO 0.10 -1.79 0.46 -1.12 -0.54 0.00 0.00 175.26 172.37 2kh2 s SER 52 N 3.30 6.15 0.15 -1.70 0.01 -0.58 -5.02 113.70 116.01 2kh2 s SER 52 Ca 0.38 0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.73 2kh2 s SER 52 Cb -0.04 -1.66 -0.04 0.00 0.21 0.00 0.00 66.02 64.50 2kh2 s SER 52 CO -0.05 -0.29 1.35 -1.13 0.41 0.00 0.00 173.24 173.53 2kh2 h ASN 53 N 0.92 0.32 0.03 2.44 -1.24 -2.01 -3.35 115.58 112.70 2kh2 h ASN 53 Ca -0.49 -0.26 -0.23 0.00 0.71 0.00 0.00 56.30 56.03 2kh2 h ASN 53 Cb 1.24 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 40.17 2kh2 h ASN 53 CO 0.58 1.07 -1.23 -2.24 -1.29 0.00 0.00 177.43 174.33 2kh2 h ASP 54 N 0.13 0.11 -3.64 1.15 2.03 -1.94 -3.45 116.42 110.81 2kh2 h ASP 54 Ca -0.05 -0.67 -0.68 0.00 -0.73 0.00 0.00 57.03 54.89 2kh2 h ASP 54 Cb 1.54 -0.03 -0.22 0.00 -0.83 0.00 0.00 39.33 39.78 2kh2 h ASP 54 CO 0.14 1.50 -0.53 -0.75 -1.03 0.00 0.00 179.24 178.57 2kh2 s LYS 55 N -2.39 3.23 -0.14 4.15 2.20 -1.25 -2.30 119.74 123.23 2kh2 s LYS 55 Ca -0.26 -0.80 -0.06 0.00 -0.36 0.00 0.00 55.97 54.49 2kh2 s LYS 55 Cb 0.05 -3.65 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 2kh2 s LYS 55 CO 0.65 -0.50 0.06 0.42 -0.36 0.00 0.00 175.35 175.63 2kh2 s ILE 56 N 1.62 4.83 -0.29 5.43 -1.09 0.65 -1.53 121.20 130.82 2kh2 s ILE 56 Ca 0.04 -0.03 -0.25 0.00 -2.23 0.00 0.00 60.65 58.18 2kh2 s ILE 56 Cb -0.18 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.58 2kh2 s ILE 56 CO 0.07 0.53 0.85 -2.16 -1.23 0.00 0.00 174.94 173.00 2kh2 s PRO 57 N -0.27 4.05 0.10 2.79 0.04 -1.25 0.13 135.00 140.59 2kh2 s PRO 57 Ca 0.08 0.79 -0.00 0.00 0.04 0.00 0.00 61.00 61.91 2kh2 s PRO 57 Cb -0.12 -3.70 -0.04 0.00 0.04 0.00 0.00 34.50 30.68 2kh2 s PRO 57 CO 0.01 -0.66 0.01 0.14 0.04 0.00 0.00 177.00 176.54 2kh2 s VAL 58 N 3.03 0.27 0.15 -0.36 -7.23 0.16 -3.28 120.40 113.14 2kh2 s VAL 58 Ca 0.35 -1.88 0.04 0.00 -1.81 0.00 0.00 61.98 58.68 2kh2 s VAL 58 Cb -0.14 -1.82 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 2kh2 s VAL 58 CO 0.11 -0.71 0.16 0.00 -0.31 0.00 0.00 175.10 174.35 2kh2 s ALA 59 N -3.91 3.65 -0.26 1.32 0.00 0.27 -0.33 121.76 122.49 2kh2 s ALA 59 Ca 0.16 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.98 2kh2 s ALA 59 Cb 0.07 -1.46 0.07 0.00 0.00 0.00 0.00 23.12 21.81 2kh2 s ALA 59 CO -0.03 0.53 -0.02 -0.51 0.00 0.00 0.00 175.76 175.74 2kh2 s LEU 60 N -3.06 2.91 0.14 0.00 1.43 -1.26 -2.98 118.68 115.87 2kh2 s LEU 60 Ca 0.32 -1.40 0.04 0.00 -1.03 0.00 0.00 54.13 52.05 2kh2 s LEU 60 Cb -0.10 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 2kh2 s LEU 60 CO 0.24 -0.28 -0.10 -0.83 0.23 0.00 0.00 176.35 175.62 2kh2 s GLY 61 N 1.33 1.05 0.15 -3.19 0.00 -1.13 -1.52 107.32 104.01 2kh2 s GLY 61 Ca -0.01 -1.48 -0.30 0.00 0.00 0.00 0.00 44.72 42.92 2kh2 s GLY 61 CO -0.09 -1.58 1.14 1.08 0.00 0.00 0.00 173.10 173.65 2kh2 s LEU 62 N -3.16 4.45 0.07 0.66 1.02 -0.13 -0.78 118.68 120.81 2kh2 s LEU 62 Ca 0.16 2.10 -0.35 0.00 0.02 0.00 0.00 54.13 56.07 2kh2 s LEU 62 Cb 0.03 -3.60 -0.14 0.00 0.02 0.00 0.00 46.19 42.50 2kh2 s LEU 62 CO 0.00 -0.31 1.63 1.17 0.02 0.00 0.00 176.35 178.86 2kh2 n LYS 63 N 2.75 1.98 -2.04 1.70 4.81 -0.72 -1.56 118.16 125.08 2kh2 n LYS 63 Ca 0.04 0.72 -0.16 0.00 -0.87 0.00 0.00 58.31 58.04 2kh2 n LYS 63 Cb 0.46 -2.49 -0.03 0.00 0.02 0.00 0.00 35.03 32.99 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 4.17 -1.73 -4.20 1.64 0.28 -1.26 -4.96 120.64 114.58 2kh2 n GLU 64 Ca 0.19 0.86 -0.15 0.00 -0.16 0.00 0.00 57.16 57.90 2kh2 n GLU 64 Cb 0.27 -5.36 -0.11 0.00 1.43 0.00 0.00 31.44 27.67 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 -4.38 0.92 -0.17 3.44 1.02 -0.60 -5.04 119.74 114.93 2kh2 s LYS 65 Ca 0.00 -1.24 0.07 0.00 0.02 0.00 0.00 55.97 54.82 2kh2 s LYS 65 Cb 0.00 -0.61 0.46 0.00 -0.52 0.00 0.00 37.83 37.17 2kh2 s LYS 65 CO 0.00 0.09 1.32 0.27 -0.92 0.00 0.00 175.35 176.11 2kh2 n ASN 66 N 0.37 3.71 -4.53 2.83 0.23 -1.26 -4.49 115.26 112.12 2kh2 n ASN 66 Ca -0.15 -2.65 -0.37 0.00 -0.53 0.00 0.00 54.58 50.88 2kh2 n ASN 66 Cb 0.58 -0.63 -0.12 0.00 -2.08 0.00 0.00 39.78 37.53 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 -1.71 3.74 0.12 -4.53 1.43 -1.26 -1.03 118.68 115.44 2kh2 s LEU 67 Ca 0.33 -0.09 0.09 0.00 -1.03 0.00 0.00 54.13 53.43 2kh2 s LEU 67 Cb 0.26 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 2kh2 s LEU 67 CO 0.09 -0.02 -0.22 -0.31 0.23 0.00 0.00 176.35 176.12 2kh2 s TYR 68 N 1.52 1.93 -0.11 0.29 1.51 -0.71 -0.96 117.35 120.82 2kh2 s TYR 68 Ca 0.06 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.41 2kh2 s TYR 68 Cb -0.15 -1.04 -0.02 0.00 -0.11 0.00 0.00 41.96 40.64 2kh2 s TYR 68 CO 0.06 0.26 1.21 -0.51 -1.11 0.00 0.00 175.55 175.47 2kh2 s LEU 69 N -2.07 4.23 -0.05 -1.29 1.43 -0.57 -0.97 118.68 119.39 2kh2 s LEU 69 Ca 0.10 1.74 0.06 0.00 -1.03 0.00 0.00 54.13 55.00 2kh2 s LEU 69 Cb -0.09 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 2kh2 s LEU 69 CO 0.05 -0.66 -0.23 -0.55 0.23 0.00 0.00 176.35 175.20 2kh2 s SER 70 N 1.66 3.27 -0.27 2.29 0.15 0.51 -4.45 113.70 116.86 2kh2 s SER 70 Ca 0.55 -0.44 -0.05 0.00 0.70 0.00 0.00 55.95 56.72 2kh2 s SER 70 Cb -0.23 -0.70 0.01 0.00 -1.71 0.00 0.00 66.02 63.40 2kh2 s SER 70 CO 0.18 0.29 0.02 0.00 1.20 0.00 0.00 173.24 174.92 2kh2 s VAL 72 N 1.43 0.00 -0.29 0.00 -7.23 -0.62 -4.70 120.40 109.00 2kh2 s VAL 72 Ca 0.02 -1.94 -0.19 0.00 -1.81 0.00 0.00 61.98 58.05 2kh2 s VAL 72 Cb -0.17 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 2kh2 s VAL 72 CO -0.01 0.00 0.59 -0.76 -0.31 0.00 0.00 175.10 174.61 2kh2 s LEU 73 N -3.19 4.12 -0.14 1.32 1.43 -1.26 0.41 118.68 121.37 2kh2 s LEU 73 Ca 0.38 0.45 -0.00 0.00 -1.03 0.00 0.00 54.13 53.93 2kh2 s LEU 73 Cb 0.05 -2.76 0.03 0.00 0.03 0.00 0.00 46.19 43.55 2kh2 s LEU 73 CO 0.15 -0.41 -0.08 -0.75 0.23 0.00 0.00 176.35 175.49 2kh2 s LYS 74 N 2.49 1.68 -1.07 1.70 2.20 0.97 -4.77 119.74 122.94 2kh2 s LYS 74 Ca 0.24 -0.44 -0.01 0.00 -0.36 0.00 0.00 55.97 55.40 2kh2 s LYS 74 Cb -0.15 -1.88 0.00 0.00 -1.51 0.00 0.00 37.83 34.29 2kh2 s LYS 74 CO 0.11 -0.32 0.90 -3.47 -0.36 0.00 0.00 175.35 172.20 2kh2 n ASP 75 N 4.87 -2.42 -1.98 1.43 4.64 -1.26 -2.49 116.55 119.35 2kh2 n ASP 75 Ca -0.13 -0.54 -0.20 0.00 -1.38 0.00 0.00 54.79 52.54 2kh2 n ASP 75 Cb 0.49 -4.57 -0.04 0.00 -1.04 0.00 0.00 41.12 35.96 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 -2.84 -5.64 -3.71 1.67 4.64 -1.26 -4.97 116.55 104.44 2kh2 n ASP 76 Ca -0.23 0.21 -0.11 0.00 -1.38 0.00 0.00 54.79 53.28 2kh2 n ASP 76 Cb 0.64 -4.77 -0.11 0.00 -1.04 0.00 0.00 41.12 35.84 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 -4.43 0.40 0.08 -0.67 2.47 -1.04 -5.13 119.74 111.42 2kh2 s LYS 77 Ca 0.00 0.69 -0.31 0.00 -1.56 0.00 0.00 55.97 54.79 2kh2 s LYS 77 Cb 0.00 0.05 -0.09 0.00 -1.46 0.00 0.00 37.83 36.33 2kh2 s LYS 77 CO 0.00 -0.12 1.74 -2.14 0.16 0.00 0.00 175.35 174.98 2kh2 s PRO 78 N 1.00 4.17 0.09 4.03 0.02 -1.26 -0.02 135.00 143.02 2kh2 s PRO 78 Ca -0.06 2.44 0.03 0.00 0.02 0.00 0.00 61.00 63.42 2kh2 s PRO 78 Cb -0.07 -3.65 -0.04 0.00 0.02 0.00 0.00 34.50 30.76 2kh2 s PRO 78 CO -0.08 -0.79 -0.08 0.99 -0.33 0.00 0.00 177.00 176.70 2kh2 s THR 79 N 2.86 0.77 -0.00 0.99 2.01 0.17 -4.74 115.64 117.70 2kh2 s THR 79 Ca 0.77 -1.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.05 2kh2 s THR 79 Cb -0.42 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 2kh2 s THR 79 CO 0.34 -0.68 0.18 -0.22 -0.69 0.00 0.00 174.62 173.55 2kh2 s LEU 80 N -2.61 4.34 0.27 4.42 2.96 -1.26 -1.59 118.68 125.22 2kh2 s LEU 80 Ca 0.06 0.33 -0.15 0.00 -0.22 0.00 0.00 54.13 54.15 2kh2 s LEU 80 Cb -0.00 -2.61 0.01 0.00 0.50 0.00 0.00 46.19 44.08 2kh2 s LEU 80 CO -0.02 0.26 0.57 0.00 -1.32 0.00 0.00 176.35 175.84 2kh2 s GLN 81 N -1.96 1.69 -0.33 1.98 -2.07 0.04 -4.91 119.66 114.11 2kh2 s GLN 81 Ca 0.27 -1.23 -0.10 0.00 -1.82 0.00 0.00 55.36 52.49 2kh2 s GLN 81 Cb -0.13 0.52 -0.00 0.00 -1.09 0.00 0.00 33.01 32.31 2kh2 s GLN 81 CO 0.19 -0.73 0.18 -0.51 -1.32 0.00 0.00 175.29 173.09 2kh2 s LEU 82 N -3.01 4.27 -0.05 2.60 2.01 -1.26 -0.36 118.68 122.89 2kh2 s LEU 82 Ca 0.19 -0.59 -0.04 0.00 0.01 0.00 0.00 54.13 53.71 2kh2 s LEU 82 Cb -0.03 -2.03 -0.04 0.00 0.01 0.00 0.00 46.19 44.11 2kh2 s LEU 82 CO 0.09 -0.23 0.14 -1.61 1.01 0.00 0.00 176.35 175.76 2kh2 s GLU 83 N 1.62 3.36 -0.51 1.70 2.02 -0.15 -4.90 118.70 121.84 2kh2 s GLU 83 Ca 0.04 -0.29 -0.19 0.00 0.02 0.00 0.00 54.97 54.56 2kh2 s GLU 83 Cb -0.17 -3.08 0.06 0.00 0.10 0.00 0.00 34.13 31.04 2kh2 s GLU 83 CO 0.07 0.71 0.64 -1.12 0.02 0.00 0.00 175.26 175.58 2kh2 s SER 84 N -1.55 6.23 0.19 -0.19 0.01 -1.26 -1.75 113.70 115.37 2kh2 s SER 84 Ca 0.22 -0.92 0.04 0.00 1.31 0.00 0.00 55.95 56.60 2kh2 s SER 84 Cb -0.12 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.78 2kh2 s SER 84 CO 0.12 -0.92 0.29 0.68 0.41 0.00 0.00 173.24 173.82 2kh2 s VAL 85 N 2.68 5.16 -0.15 3.43 -7.23 -0.20 -5.03 120.40 119.07 2kh2 s VAL 85 Ca 0.15 -0.87 -0.33 0.00 -1.81 0.00 0.00 61.98 59.12 2kh2 s VAL 85 Cb -0.19 -3.71 -0.10 0.00 0.56 0.00 0.00 36.38 32.93 2kh2 s VAL 85 CO 0.12 -0.19 2.01 -0.67 -0.31 0.00 0.00 175.10 176.06 2kh2 n ASP 86 N -0.86 3.27 0.29 4.85 4.64 -1.26 -4.79 116.55 122.70 2kh2 n ASP 86 Ca -0.08 0.72 0.19 0.00 -1.38 0.00 0.00 54.79 54.24 2kh2 n ASP 86 Cb 0.55 -1.40 0.95 0.00 -1.04 0.00 0.00 41.12 40.18 2kh2 n ASP 86 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2kh2 h PRO 87 N 11.06 0.00 0.00 -0.67 0.13 -1.91 -1.70 132.00 138.90 2kh2 h PRO 87 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2kh2 h PRO 87 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2kh2 h PRO 87 CO 0.96 0.00 -1.67 0.36 -0.23 0.00 0.00 178.00 177.42 2kh2 n LYS 88 N -2.96 0.57 -0.10 0.86 2.85 -1.26 -4.27 118.16 113.86 2kh2 n LYS 88 Ca -0.01 -0.14 0.12 0.00 -1.05 0.00 0.00 58.31 57.22 2kh2 n LYS 88 Cb 0.15 -1.47 0.16 0.00 -0.65 0.00 0.00 35.03 33.22 2kh2 n LYS 88 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2kh2 n ASN 89 N -2.02 3.21 -4.11 -5.58 2.85 -0.87 -4.93 115.26 103.81 2kh2 n ASN 89 Ca -0.02 -1.98 -0.17 0.00 -0.11 0.00 0.00 54.58 52.30 2kh2 n ASN 89 Cb 0.47 -0.13 -0.12 0.00 1.24 0.00 0.00 39.78 41.24 2kh2 n ASN 89 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 2kh2 s TYR 90 N -1.69 0.99 0.66 1.20 1.51 -0.70 -4.53 117.35 114.79 2kh2 s TYR 90 Ca 0.33 -0.41 -0.05 0.00 -1.01 0.00 0.00 57.07 55.92 2kh2 s TYR 90 Cb 0.21 -0.58 0.14 0.00 -0.11 0.00 0.00 41.96 41.62 2kh2 s TYR 90 CO 0.30 0.00 0.90 -0.35 -1.11 0.00 0.00 175.55 175.29 2kh2 n PRO 91 N 1.65 -0.39 -3.92 -1.71 -0.04 -1.26 -4.83 135.00 124.50 2kh2 n PRO 91 Ca -0.20 -1.94 -0.09 0.00 -0.04 0.00 0.00 63.50 61.22 2kh2 n PRO 91 Cb 0.55 -0.75 -0.07 0.00 -0.04 0.00 0.00 33.50 33.19 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 -4.85 1.09 0.02 0.54 -2.85 -1.26 -5.07 119.74 107.36 2kh2 s LYS 92 Ca 0.55 -1.09 -0.25 0.00 -1.00 0.00 0.00 55.97 54.18 2kh2 s LYS 92 Cb -0.02 0.38 -0.18 0.00 -2.06 0.00 0.00 37.83 35.94 2kh2 s LYS 92 CO 0.38 -0.39 1.43 -0.22 0.10 0.00 0.00 175.35 176.65 2kh2 h LYS 93 N 2.57 0.03 -4.30 1.78 1.63 -1.98 -3.37 116.57 112.93 2kh2 h LYS 93 Ca -0.32 -0.01 -0.74 0.00 -0.85 0.00 0.00 60.65 58.73 2kh2 h LYS 93 Cb 1.22 -0.00 -0.23 0.00 -0.60 0.00 0.00 32.23 32.62 2kh2 h LYS 93 CO 0.50 0.34 0.05 0.21 -3.45 0.00 0.00 179.45 177.10 2kh2 s LYS 94 N -4.92 3.21 0.47 1.90 2.47 -1.26 -3.03 119.74 118.58 2kh2 s LYS 94 Ca -0.15 -1.78 0.04 0.00 -1.56 0.00 0.00 55.97 52.53 2kh2 s LYS 94 Cb 0.03 -4.37 0.02 0.00 -1.46 0.00 0.00 37.83 32.05 2kh2 s LYS 94 CO 0.67 -1.43 0.66 -1.64 0.16 0.00 0.00 175.35 173.78 2kh2 s MET 95 N 1.68 2.76 0.47 4.03 -1.94 -1.26 -5.07 119.30 119.97 2kh2 s MET 95 Ca 0.12 -0.92 -0.23 0.00 -1.71 0.00 0.00 55.69 52.94 2kh2 s MET 95 Cb -0.21 -2.62 -0.07 0.00 2.01 0.00 0.00 34.83 33.94 2kh2 s MET 95 CO 0.00 -0.44 1.22 -1.21 -0.01 0.00 0.00 175.02 174.58 2kh2 s GLU 96 N -4.54 3.66 0.58 2.03 8.01 -1.26 -4.89 118.70 122.29 2kh2 s GLU 96 Ca 0.54 1.91 0.27 0.00 0.01 0.00 0.00 54.97 57.71 2kh2 s GLU 96 Cb -0.10 -2.43 1.68 0.00 -4.31 0.00 0.00 34.13 28.97 2kh2 s GLU 96 CO 0.36 -0.67 2.19 -0.22 0.01 0.00 0.00 175.26 176.93 2kh2 h LYS 97 N 2.02 0.00 0.00 1.61 1.63 -1.97 0.71 116.57 120.56 2kh2 h LYS 97 Ca -0.50 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 2kh2 h LYS 97 Cb 1.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 2kh2 h LYS 97 CO 0.60 0.00 0.00 2.89 -3.45 0.00 0.00 179.45 179.49 2kh2 n ARG 98 N -3.97 0.13 -0.00 1.90 1.85 -1.26 -2.82 116.66 112.49 2kh2 n ARG 98 Ca -0.02 0.18 0.06 0.00 -1.00 0.00 0.00 57.85 57.08 2kh2 n ARG 98 Cb 0.16 -1.68 0.05 0.00 -1.05 0.00 0.00 32.46 29.94 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 -1.91 0.00 -3.58 2.89 3.72 0.20 -1.28 117.46 117.50 2kh2 n PHE 99 Ca 0.05 -0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.08 2kh2 n PHE 99 Cb 0.34 -0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.79 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 -1.03 5.31 0.10 -4.37 1.01 -0.95 -4.13 120.40 116.34 2kh2 s VAL 100 Ca 0.14 0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.55 2kh2 s VAL 100 Cb 0.10 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2kh2 s VAL 100 CO 0.15 0.33 -0.15 -0.36 0.00 0.00 0.00 175.10 175.08 2kh2 s PHE 101 N 1.06 2.63 -0.45 5.22 0.40 0.55 -2.11 117.98 125.28 2kh2 s PHE 101 Ca 0.11 -0.21 -0.12 0.00 -0.60 0.00 0.00 56.93 56.11 2kh2 s PHE 101 Cb -0.14 -1.40 0.08 0.00 0.51 0.00 0.00 43.02 42.07 2kh2 s PHE 101 CO 0.05 0.39 0.33 -0.80 0.70 0.00 0.00 175.22 175.89 2kh2 s ASN 102 N -2.06 5.88 -0.49 1.36 0.02 0.28 -0.66 114.94 119.26 2kh2 s ASN 102 Ca 0.19 -1.45 -0.25 0.00 -1.02 0.00 0.00 52.86 50.33 2kh2 s ASN 102 Cb -0.11 -2.08 0.03 0.00 0.02 0.00 0.00 41.25 39.11 2kh2 s ASN 102 CO 0.11 -0.60 0.92 -0.75 0.02 0.00 0.00 177.10 176.79 2kh2 s LYS 103 N 1.52 3.44 0.03 -0.60 2.20 0.12 -0.85 119.74 125.61 2kh2 s LYS 103 Ca 0.04 -0.02 -0.15 0.00 -0.36 0.00 0.00 55.97 55.48 2kh2 s LYS 103 Cb -0.24 -3.97 -0.06 0.00 -1.51 0.00 0.00 37.83 32.05 2kh2 s LYS 103 CO 0.04 -1.31 0.44 0.42 -0.36 0.00 0.00 175.35 174.59 2kh2 s ILE 104 N 3.78 4.97 -0.63 5.43 1.01 0.09 -0.25 121.20 135.60 2kh2 s ILE 104 Ca 0.34 0.87 0.06 0.00 0.00 0.00 0.00 60.65 61.91 2kh2 s ILE 104 Cb -0.11 -3.74 0.21 0.00 0.01 0.00 0.00 42.46 38.83 2kh2 s ILE 104 CO 0.23 0.52 0.59 -0.62 0.00 0.00 0.00 174.94 175.66 2kh2 n GLU 105 N 1.64 1.88 0.12 2.79 4.71 -0.97 -0.76 120.64 130.06 2kh2 n GLU 105 Ca -0.12 -4.35 -0.05 0.00 -0.01 0.00 0.00 57.16 52.63 2kh2 n GLU 105 Cb 0.52 -2.14 -0.02 0.00 -1.01 0.00 0.00 31.44 28.79 2kh2 n GLU 105 CO 0.00 0.00 0.00 -0.84 0.09 0.00 0.00 177.13 176.38 2kh2 h ILE 106 N 3.74 0.00 0.00 -3.67 3.07 -1.87 -3.48 117.51 115.30 2kh2 h ILE 106 Ca 0.17 -0.03 0.00 0.00 1.55 0.00 0.00 64.86 66.56 2kh2 h ILE 106 Cb 0.74 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.29 2kh2 h ILE 106 CO 0.72 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.36 2kh2 n ASN 107 N -2.91 0.00 -0.69 2.16 0.23 -1.26 -4.97 115.26 107.82 2kh2 n ASN 107 Ca -0.04 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.09 2kh2 n ASN 107 Cb 0.12 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 37.92 2kh2 n ASN 107 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2kh2 n ASN 108 N 0.00 2.54 -4.34 0.53 5.03 -1.26 -4.94 115.26 112.82 2kh2 n ASN 108 Ca 0.00 -1.73 -0.30 0.00 0.87 0.00 0.00 54.58 53.41 2kh2 n ASN 108 Cb 0.00 -0.08 -0.15 0.00 -1.02 0.00 0.00 39.78 38.53 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2kh2 s LYS 109 N -1.22 1.92 0.03 3.52 -0.14 -1.26 -4.94 119.74 117.64 2kh2 s LYS 109 Ca 0.22 -1.05 0.04 0.00 -1.36 0.00 0.00 55.97 53.82 2kh2 s LYS 109 Cb 0.14 -2.01 -0.04 0.00 -1.68 0.00 0.00 37.83 34.24 2kh2 s LYS 109 CO 0.20 0.53 -0.05 -0.48 -0.76 0.00 0.00 175.35 174.79 2kh2 s LEU 110 N -1.05 3.26 0.19 3.17 2.34 -0.47 -3.49 118.68 122.63 2kh2 s LEU 110 Ca 0.11 -0.16 0.09 0.00 0.06 0.00 0.00 54.13 54.23 2kh2 s LEU 110 Cb -0.10 -1.92 -0.04 0.00 -0.56 0.00 0.00 46.19 43.57 2kh2 s LEU 110 CO 0.01 0.25 -0.09 -1.61 -1.06 0.00 0.00 176.35 173.85 2kh2 s GLU 111 N -1.70 2.07 -0.35 1.48 2.02 0.07 -0.09 118.70 122.19 2kh2 s GLU 111 Ca 0.20 -1.29 0.04 0.00 0.02 0.00 0.00 54.97 53.94 2kh2 s GLU 111 Cb -0.11 -2.15 0.10 0.00 0.10 0.00 0.00 34.13 32.07 2kh2 s GLU 111 CO 0.11 0.43 0.06 -0.06 0.02 0.00 0.00 175.26 175.82 2kh2 s PHE 112 N -1.77 3.74 -0.08 1.61 0.08 -1.26 -0.73 117.98 119.57 2kh2 s PHE 112 Ca 0.25 -3.01 -0.10 0.00 0.12 0.00 0.00 56.93 54.19 2kh2 s PHE 112 Cb -0.09 -2.93 -0.05 0.00 -0.57 0.00 0.00 43.02 39.39 2kh2 s PHE 112 CO 0.16 -0.94 0.25 -2.00 -0.10 0.00 0.00 175.22 172.58 2kh2 s GLU 113 N 0.84 3.66 0.02 0.44 2.12 -0.03 -0.84 118.70 124.92 2kh2 s GLU 113 Ca 0.11 0.09 -0.30 0.00 0.36 0.00 0.00 54.97 55.23 2kh2 s GLU 113 Cb -0.19 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 2kh2 s GLU 113 CO -0.08 0.72 1.03 0.45 -0.54 0.00 0.00 175.26 176.85 2kh2 s SER 114 N -0.98 7.30 0.21 -1.70 0.15 -0.05 0.99 113.70 119.62 2kh2 s SER 114 Ca 0.18 1.76 -0.03 0.00 0.70 0.00 0.00 55.95 58.56 2kh2 s SER 114 Cb -0.14 -2.57 0.18 0.00 -1.71 0.00 0.00 66.02 61.78 2kh2 s SER 114 CO 0.08 -0.30 1.58 0.00 1.20 0.00 0.00 173.24 175.79 2kh2 h ALA 115 N 6.74 0.81 -0.76 5.45 0.00 -1.65 -3.02 119.26 126.84 2kh2 h ALA 115 Ca -0.41 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.03 2kh2 h ALA 115 Cb 1.22 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2kh2 h ALA 115 CO 0.76 0.65 0.36 0.37 0.00 0.00 0.00 179.25 181.39 2kh2 h GLN 116 N 0.50 1.10 -4.03 0.00 5.75 -1.74 -3.39 115.11 113.31 2kh2 h GLN 116 Ca 0.04 -0.17 -0.60 0.00 -0.15 0.00 0.00 58.65 57.77 2kh2 h GLN 116 Cb 0.92 -0.20 -0.40 0.00 1.07 0.00 0.00 27.48 28.88 2kh2 h GLN 116 CO 0.08 0.86 -0.75 -0.06 -2.65 0.00 0.00 178.83 176.31 2kh2 s PHE 117 N -5.68 2.35 0.47 3.99 0.08 -1.14 -5.07 117.98 112.97 2kh2 s PHE 117 Ca -0.13 -2.01 -0.24 0.00 0.12 0.00 0.00 56.93 54.67 2kh2 s PHE 117 Cb 0.15 -1.95 -0.07 0.00 -0.57 0.00 0.00 43.02 40.57 2kh2 s PHE 117 CO 0.82 -0.86 1.36 -2.14 -0.10 0.00 0.00 175.22 174.30 2kh2 s PRO 118 N 1.40 3.60 0.00 0.24 0.02 -1.23 -2.38 135.00 136.65 2kh2 s PRO 118 Ca 0.06 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.33 2kh2 s PRO 118 Cb -0.18 -2.54 0.00 0.00 0.02 0.00 0.00 34.50 31.80 2kh2 s PRO 118 CO -0.15 -0.83 0.00 0.09 -0.33 0.00 0.00 177.00 175.78 2kh2 n ASN 119 N -0.38 0.00 -4.33 2.53 4.13 -1.26 -4.96 115.26 110.99 2kh2 n ASN 119 Ca 0.06 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.89 2kh2 n ASN 119 Cb 0.44 -0.65 -0.08 0.00 -1.54 0.00 0.00 39.78 37.94 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2kh2 s TRP 120 N -3.11 3.29 0.14 3.10 0.52 -1.00 -4.39 118.94 117.49 2kh2 s TRP 120 Ca 0.00 -1.24 0.04 0.00 0.02 0.00 0.00 56.10 54.92 2kh2 s TRP 120 Cb 0.00 -3.20 -0.04 0.00 -1.15 0.00 0.00 33.47 29.08 2kh2 s TRP 120 CO 0.00 -0.85 0.15 0.71 0.02 0.00 0.00 176.95 176.98 2kh2 s TYR 121 N 1.55 3.22 -0.20 -1.98 1.51 0.44 -0.87 117.35 121.01 2kh2 s TYR 121 Ca 0.04 0.03 -0.29 0.00 -1.01 0.00 0.00 57.07 55.83 2kh2 s TYR 121 Cb -0.25 -1.56 -0.03 0.00 -0.11 0.00 0.00 41.96 40.01 2kh2 s TYR 121 CO 0.04 0.52 1.66 0.42 -1.11 0.00 0.00 175.55 177.08 2kh2 s ILE 122 N -1.68 3.63 0.29 2.71 1.01 -0.02 -0.09 121.20 127.05 2kh2 s ILE 122 Ca 0.31 0.72 0.08 0.00 0.00 0.00 0.00 60.65 61.76 2kh2 s ILE 122 Cb -0.11 -3.64 -0.06 0.00 0.01 0.00 0.00 42.46 38.67 2kh2 s ILE 122 CO 0.24 -0.26 -0.09 -0.44 0.00 0.00 0.00 174.94 174.40 2kh2 s SER 123 N 4.38 3.10 -0.18 3.58 0.01 0.41 -4.57 113.70 120.44 2kh2 s SER 123 Ca 0.73 -1.17 -0.14 0.00 1.31 0.00 0.00 55.95 56.69 2kh2 s SER 123 Cb -0.26 -0.23 0.05 0.00 0.21 0.00 0.00 66.02 65.79 2kh2 s SER 123 CO 0.30 -0.26 0.46 -0.89 0.41 0.00 0.00 173.24 173.26 2kh2 s THR 124 N -2.85 -0.01 1.02 1.44 2.01 -1.03 -2.04 115.64 114.18 2kh2 s THR 124 Ca 0.30 0.03 -0.13 0.00 0.31 0.00 0.00 61.69 62.21 2kh2 s THR 124 Cb 0.02 -0.66 0.20 0.00 0.01 0.00 0.00 72.50 72.08 2kh2 s THR 124 CO 0.13 0.01 1.09 -0.44 -0.69 0.00 0.00 174.62 174.73 2kh2 s SER 125 N 0.71 2.48 0.37 3.53 0.01 -1.26 -0.71 113.70 118.82 2kh2 s SER 125 Ca -0.04 1.16 0.19 0.00 1.31 0.00 0.00 55.95 58.58 2kh2 s SER 125 Cb -0.05 -1.83 0.62 0.00 0.21 0.00 0.00 66.02 64.97 2kh2 s SER 125 CO -0.05 -3.22 1.70 1.56 0.41 0.00 0.00 173.24 173.64 2kh2 h GLN 126 N -1.95 0.00 -6.71 12.44 1.08 -1.95 -3.45 115.11 114.56 2kh2 h GLN 126 Ca -0.55 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.10 2kh2 h GLN 126 Cb 1.33 0.00 0.08 0.00 -0.05 0.00 0.00 27.48 28.85 2kh2 h GLN 126 CO 0.58 0.37 0.79 0.00 -0.95 0.00 0.00 178.83 179.62 2kh2 n ALA 127 N -2.27 2.04 -1.78 3.87 0.00 -1.26 -4.96 120.51 116.15 2kh2 n ALA 127 Ca 0.00 0.39 -0.37 0.00 0.00 0.00 0.00 53.44 53.46 2kh2 n ALA 127 Cb 0.53 -2.40 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 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 -0.42 4.09 -0.74 0.00 2.56 -1.26 -3.53 118.70 119.40 2kh2 s GLU 128 Ca 0.66 1.61 0.00 0.00 0.00 0.00 0.00 54.97 57.24 2kh2 s GLU 128 Cb -0.55 -2.56 0.00 0.00 2.00 0.00 0.00 34.13 33.02 2kh2 s GLU 128 CO 0.48 -0.22 0.00 -1.71 -0.56 0.00 0.00 175.26 173.25 2kh2 n ASN 129 N -0.08 -3.25 -4.87 -1.70 5.15 -1.15 -5.02 115.26 104.33 2kh2 n ASN 129 Ca 0.05 0.06 -0.35 0.00 -0.60 0.00 0.00 54.58 53.74 2kh2 n ASN 129 Cb 0.49 -2.20 -0.05 0.00 -0.53 0.00 0.00 39.78 37.48 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 -3.86 3.64 0.95 1.20 -1.94 -1.22 -4.87 119.30 113.21 2kh2 s MET 130 Ca 0.00 0.03 -0.13 0.00 -1.71 0.00 0.00 55.69 53.88 2kh2 s MET 130 Cb 0.00 -3.10 0.16 0.00 2.01 0.00 0.00 34.83 33.90 2kh2 s MET 130 CO 0.00 0.66 1.15 -2.14 -0.01 0.00 0.00 175.02 174.67 2kh2 s PRO 131 N -1.59 0.80 -0.15 2.03 0.02 -1.26 -0.57 135.00 134.28 2kh2 s PRO 131 Ca 0.26 0.21 -0.13 0.00 0.02 0.00 0.00 61.00 61.37 2kh2 s PRO 131 Cb -0.14 -1.81 -0.05 0.00 0.02 0.00 0.00 34.50 32.53 2kh2 s PRO 131 CO 0.14 -2.42 0.27 0.08 -0.33 0.00 0.00 177.00 174.75 2kh2 s VAL 132 N -3.28 5.31 0.27 3.83 1.01 -0.76 -4.68 120.40 122.10 2kh2 s VAL 132 Ca 0.65 0.50 0.03 0.00 0.00 0.00 0.00 61.98 63.17 2kh2 s VAL 132 Cb -0.14 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2kh2 s VAL 132 CO 0.54 0.43 0.19 0.72 0.00 0.00 0.00 175.10 176.98 2kh2 s PHE 133 N 0.21 1.47 -0.24 5.22 -0.12 -0.87 -4.88 117.98 118.78 2kh2 s PHE 133 Ca 0.16 -1.48 -0.14 0.00 -0.05 0.00 0.00 56.93 55.42 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 0.04 -0.70 0.30 -1.17 -0.05 0.00 0.00 175.22 173.64 2kh2 s LEU 134 N -3.28 4.10 0.12 -1.99 2.96 -1.26 -0.45 118.68 118.87 2kh2 s LEU 134 Ca 0.39 0.28 0.10 0.00 -0.22 0.00 0.00 54.13 54.68 2kh2 s LEU 134 Cb 0.05 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 2kh2 s LEU 134 CO 0.19 -0.06 -0.25 -0.83 -1.32 0.00 0.00 176.35 174.08 2kh2 s GLY 135 N 1.29 1.46 -0.07 7.98 0.00 0.86 -4.86 107.32 113.98 2kh2 s GLY 135 Ca 0.13 -1.38 0.13 0.00 0.00 0.00 0.00 44.72 43.60 2kh2 s GLY 135 CO 0.08 -1.36 1.33 0.61 0.00 0.00 0.00 173.10 173.76 2kh2 n GLY 136 N 1.03 3.25 3.05 0.20 0.00 -1.26 -0.42 105.19 111.04 2kh2 n GLY 136 Ca -0.18 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 2kh2 n GLY 136 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kh2 n THR 137 N 0.15 3.64 -2.24 2.61 -1.04 -1.26 -4.93 114.28 111.20 2kh2 n THR 137 Ca 0.16 -5.33 -0.42 0.00 -2.04 0.00 0.00 64.05 56.42 2kh2 n THR 137 Cb 0.63 -2.33 -0.03 0.00 -1.82 0.00 0.00 70.33 66.78 2kh2 n THR 137 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2kh2 s LYS 138 N -1.77 4.29 -0.11 -2.82 2.20 -1.26 -2.62 119.74 117.65 2kh2 s LYS 138 Ca 0.30 1.94 0.00 0.00 -0.36 0.00 0.00 55.97 57.85 2kh2 s LYS 138 Cb -0.03 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 2kh2 s LYS 138 CO -0.06 -0.56 0.00 0.41 -0.36 0.00 0.00 175.35 174.77 2kh2 n GLY 139 N 3.62 0.44 0.00 5.54 0.00 -1.26 -5.03 105.19 108.49 2kh2 n GLY 139 Ca 0.13 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.51 1.69 0.15 -0.02 0.00 -1.08 -4.98 105.19 98.44 2kh2 n GLY 140 Ca -0.01 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.19 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 0.37 -7.41 1.61 7.50 -1.96 -3.46 115.11 111.76 2kh2 h GLN 141 Ca 0.00 -0.39 -0.45 0.00 0.50 0.00 0.00 58.65 58.31 2kh2 h GLN 141 Cb 0.00 0.11 0.15 0.00 0.05 0.00 0.00 27.48 27.79 2kh2 h GLN 141 CO 0.00 1.06 0.22 -0.51 -1.50 0.00 0.00 178.83 178.11 2kh2 s ASP 142 N -7.04 2.72 -0.33 1.46 1.01 -1.26 -4.55 116.67 108.68 2kh2 s ASP 142 Ca -0.05 1.05 -0.11 0.00 0.71 0.00 0.00 52.55 54.14 2kh2 s ASP 142 Cb 0.09 -1.65 -0.01 0.00 1.01 0.00 0.00 42.92 42.37 2kh2 s ASP 142 CO 0.86 -3.05 0.19 -0.63 0.21 0.00 0.00 175.17 172.74 2kh2 s ILE 143 N -3.08 4.86 -1.65 0.77 1.01 0.11 -4.72 121.20 118.49 2kh2 s ILE 143 Ca 0.65 -0.38 0.15 0.00 0.00 0.00 0.00 60.65 61.08 2kh2 s ILE 143 Cb -0.17 -3.50 0.06 0.00 0.01 0.00 0.00 42.46 38.86 2kh2 s ILE 143 CO 0.56 0.01 0.90 0.35 0.00 0.00 0.00 174.94 176.77 2kh2 n THR 144 N 5.03 0.00 -4.55 2.92 -2.24 -1.26 -2.46 114.28 111.71 2kh2 n THR 144 Ca -0.13 -0.42 -0.31 0.00 -2.27 0.00 0.00 64.05 60.92 2kh2 n THR 144 Cb 0.49 1.25 -0.12 0.00 -2.10 0.00 0.00 70.33 69.85 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 -1.56 4.00 0.32 3.42 -4.77 -1.26 -4.28 116.67 112.53 2kh2 s ASP 145 Ca 0.15 -0.39 0.05 0.00 -3.30 0.00 0.00 52.55 49.06 2kh2 s ASP 145 Cb 0.12 -0.70 -0.03 0.00 -1.09 0.00 0.00 42.92 41.22 2kh2 s ASP 145 CO 0.29 0.25 0.20 -0.36 0.70 0.00 0.00 175.17 176.25 2kh2 s PHE 146 N -0.98 1.64 0.19 2.11 0.40 0.86 -4.01 117.98 118.20 2kh2 s PHE 146 Ca 0.16 -1.49 0.11 0.00 -0.60 0.00 0.00 56.93 55.12 2kh2 s PHE 146 Cb -0.11 -0.81 -0.04 0.00 0.51 0.00 0.00 43.02 42.57 2kh2 s PHE 146 CO 0.07 -0.65 -0.24 0.95 0.70 0.00 0.00 175.22 176.05 2kh2 s THR 147 N -3.54 2.35 -0.27 0.64 -4.23 0.68 -1.36 115.64 109.90 2kh2 s THR 147 Ca 0.36 -2.02 -0.03 0.00 -1.18 0.00 0.00 61.69 58.82 2kh2 s THR 147 Cb 0.04 -2.12 0.03 0.00 1.34 0.00 0.00 72.50 71.78 2kh2 s THR 147 CO 0.21 -0.11 -0.00 -0.32 -0.54 0.00 0.00 174.62 173.86 2kh2 s MET 148 N -2.64 2.84 -0.23 3.99 1.75 -1.26 -3.31 119.30 120.43 2kh2 s MET 148 Ca 0.20 -0.99 0.02 0.00 -1.25 0.00 0.00 55.69 53.66 2kh2 s MET 148 Cb -0.08 -3.15 0.04 0.00 2.84 0.00 0.00 34.83 34.48 2kh2 s MET 148 CO 0.10 -0.46 -0.13 -0.65 -0.65 0.00 0.00 175.02 173.23 2kh2 s GLN 149 N 1.37 2.58 0.07 4.11 1.11 -1.00 -4.97 119.66 122.93 2kh2 s GLN 149 Ca -0.00 -1.12 -0.28 0.00 0.01 0.00 0.00 55.36 53.97 2kh2 s GLN 149 Cb -0.17 -2.81 -0.05 0.00 -1.01 0.00 0.00 33.01 28.97 2kh2 s GLN 149 CO -0.02 -0.43 0.87 -0.06 0.01 0.00 0.00 175.29 175.67 2kh2 s PHE 150 N 1.20 3.77 0.29 0.91 0.08 -1.26 -0.03 117.98 122.94 2kh2 s PHE 150 Ca -0.03 1.64 0.01 0.00 0.12 0.00 0.00 56.93 58.67 2kh2 s PHE 150 Cb -0.17 -2.95 0.01 0.00 -0.57 0.00 0.00 43.02 39.34 2kh2 s PHE 150 CO -0.07 0.23 0.08 1.33 -0.10 0.00 0.00 175.22 176.68 2kh2 n VAL 151 N 2.86 0.00 -3.34 -0.44 0.24 -1.22 -4.96 118.33 111.47 2kh2 n VAL 151 Ca 0.00 -1.30 -0.38 0.00 -2.04 0.00 0.00 64.34 60.62 2kh2 n VAL 151 Cb 0.50 0.09 -0.07 0.00 -1.47 0.00 0.00 33.84 32.89 2kh2 n VAL 151 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2kh2 s SER 152 N -2.65 6.51 0.00 -1.34 0.01 -1.26 -4.90 113.70 110.07 2kh2 s SER 152 Ca 0.06 0.61 0.00 0.00 1.31 0.00 0.00 55.95 57.93 2kh2 s SER 152 Cb -0.00 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2kh2 s SER 152 CO 0.04 -0.08 0.00 -1.20 0.41 0.00 0.00 173.24 172.40